From 5f6b97a2743dbf9c4e37245e0523f168382f5669 Mon Sep 17 00:00:00 2001 From: f641l Date: Thu, 23 Jul 2026 15:51:16 +0200 Subject: [PATCH 01/41] adding spoqc to spatialaxe --- assets/samplesheet.csv | 4 +- assets/schema_input.json | 10 + conf/base.config | 10 + conf/modules.config | 184 + main.nf | 1 + modules.json | 58 +- modules/local/spoQC/ambient/main.nf | 53 + modules/local/spoQC/ambient/meta.yml | 67 + .../local/spoQC/ambient/tests/main.nf.test | 78 + .../spoQC/ambient/tests/main.nf.test.snap | 88 + .../local/spoQC/ambient/tests/nextflow.config | 9 + modules/local/spoQC/analysis_category/main.nf | 67 + .../local/spoQC/analysis_category/meta.yml | 123 + .../analysis_category/tests/main.nf.test | 286 ++ .../analysis_category/tests/nextflow.config | 9 + modules/local/spoQC/analysis_cluster/main.nf | 69 + modules/local/spoQC/analysis_cluster/meta.yml | 129 + .../spoQC/analysis_cluster/tests/main.nf.test | 286 ++ .../analysis_cluster/tests/nextflow.config | 9 + modules/local/spoQC/analysis_overview/main.nf | 69 + .../local/spoQC/analysis_overview/meta.yml | 128 + .../analysis_overview/tests/main.nf.test | 286 ++ .../analysis_overview/tests/nextflow.config | 9 + modules/local/spoQC/annotation/main.nf | 53 + modules/local/spoQC/annotation/meta.yml | 68 + .../local/spoQC/annotation/tests/main.nf.test | 80 + .../spoQC/annotation/tests/main.nf.test.snap | 92 + .../spoQC/annotation/tests/nextflow.config | 9 + modules/local/spoQC/bubble/main.nf | 53 + modules/local/spoQC/bubble/meta.yml | 67 + modules/local/spoQC/bubble/tests/main.nf.test | 78 + .../spoQC/bubble/tests/main.nf.test.snap | 96 + .../local/spoQC/bubble/tests/nextflow.config | 9 + modules/local/spoQC/cell/main.nf | 54 + modules/local/spoQC/cell/meta.yml | 67 + modules/local/spoQC/cell/tests/main.nf.test | 78 + .../local/spoQC/cell/tests/main.nf.test.snap | 138 + .../local/spoQC/cell/tests/nextflow.config | 9 + modules/local/spoQC/cellcycle/main.nf | 48 + modules/local/spoQC/cellcycle/meta.yml | 64 + .../local/spoQC/cellcycle/tests/main.nf.test | 78 + .../spoQC/cellcycle/tests/main.nf.test.snap | 72 + .../spoQC/cellcycle/tests/nextflow.config | 9 + modules/local/spoQC/combine_masks/main.nf | 57 + modules/local/spoQC/combine_masks/meta.yml | 111 + .../spoQC/combine_masks/tests/main.nf.test | 266 ++ .../spoQC/combine_masks/tests/nextflow.config | 9 + modules/local/spoQC/doublet/main.nf | 56 + modules/local/spoQC/doublet/meta.yml | 67 + .../local/spoQC/doublet/tests/main.nf.test | 91 + .../spoQC/doublet/tests/main.nf.test.snap | 102 + .../local/spoQC/doublet/tests/nextflow.config | 9 + modules/local/spoQC/general/main.nf | 57 + modules/local/spoQC/general/meta.yml | 67 + .../local/spoQC/general/tests/main.nf.test | 91 + .../spoQC/general/tests/main.nf.test.snap | 206 + .../local/spoQC/general/tests/nextflow.config | 9 + modules/local/spoQC/hqcr_celltype/main.nf | 62 + modules/local/spoQC/hqcr_celltype/meta.yml | 87 + .../spoQC/hqcr_celltype/tests/main.nf.test | 153 + .../hqcr_celltype/tests/main.nf.test.snap | 222 + .../spoQC/hqcr_celltype/tests/nextflow.config | 9 + modules/local/spoQC/hqcr_ident/main.nf | 60 + modules/local/spoQC/hqcr_ident/meta.yml | 91 + .../local/spoQC/hqcr_ident/tests/main.nf.test | 151 + .../spoQC/hqcr_ident/tests/main.nf.test.snap | 200 + .../spoQC/hqcr_ident/tests/nextflow.config | 9 + modules/local/spoQC/hqpr_bounding_box/main.nf | 53 + .../local/spoQC/hqpr_bounding_box/meta.yml | 80 + .../hqpr_bounding_box/tests/main.nf.test | 113 + .../hqpr_bounding_box/tests/main.nf.test.snap | 116 + .../hqpr_bounding_box/tests/nextflow.config | 9 + modules/local/spoQC/hqpr_celltype/main.nf | 61 + modules/local/spoQC/hqpr_celltype/meta.yml | 113 + .../spoQC/hqpr_celltype/tests/main.nf.test | 188 + .../hqpr_celltype/tests/main.nf.test.snap | 112 + .../spoQC/hqpr_celltype/tests/nextflow.config | 9 + modules/local/spoQC/hqpr_clustering/main.nf | 55 + modules/local/spoQC/hqpr_clustering/meta.yml | 87 + .../spoQC/hqpr_clustering/tests/main.nf.test | 91 + .../hqpr_clustering/tests/main.nf.test.snap | 4202 +++++++++++++++++ .../hqpr_clustering/tests/nextflow.config | 9 + modules/local/spoQC/hqpr_metrices/main.nf | 58 + modules/local/spoQC/hqpr_metrices/meta.yml | 81 + .../spoQC/hqpr_metrices/tests/main.nf.test | 80 + .../hqpr_metrices/tests/main.nf.test.snap | 182 + .../spoQC/hqpr_metrices/tests/nextflow.config | 9 + modules/local/spoQC/hqpr_refinement/main.nf | 55 + modules/local/spoQC/hqpr_refinement/meta.yml | 87 + .../spoQC/hqpr_refinement/tests/main.nf.test | 102 + .../hqpr_refinement/tests/main.nf.test.snap | 4194 ++++++++++++++++ .../hqpr_refinement/tests/nextflow.config | 9 + modules/local/spoQC/hqtr_ac/main.nf | 54 + modules/local/spoQC/hqtr_ac/meta.yml | 71 + .../local/spoQC/hqtr_ac/tests/main.nf.test | 90 + .../local/spoQC/hqtr_ac/tests/nextflow.config | 9 + modules/local/spoQC/hqtr_bounding_box/main.nf | 51 + .../local/spoQC/hqtr_bounding_box/meta.yml | 67 + .../hqtr_bounding_box/tests/main.nf.test | 145 + .../hqtr_bounding_box/tests/nextflow.config | 9 + modules/local/spoQC/hqtr_celltype/main.nf | 61 + modules/local/spoQC/hqtr_celltype/meta.yml | 93 + .../spoQC/hqtr_celltype/tests/main.nf.test | 222 + .../spoQC/hqtr_celltype/tests/nextflow.config | 9 + modules/local/spoQC/hqtr_clustering/main.nf | 56 + modules/local/spoQC/hqtr_clustering/meta.yml | 79 + .../spoQC/hqtr_clustering/tests/main.nf.test | 125 + .../hqtr_clustering/tests/nextflow.config | 9 + modules/local/spoQC/hqtr_metrices/main.nf | 52 + modules/local/spoQC/hqtr_metrices/meta.yml | 67 + .../spoQC/hqtr_metrices/tests/main.nf.test | 78 + .../spoQC/hqtr_metrices/tests/nextflow.config | 9 + modules/local/spoQC/hqtr_qv/main.nf | 53 + modules/local/spoQC/hqtr_qv/meta.yml | 67 + .../local/spoQC/hqtr_qv/tests/main.nf.test | 78 + .../local/spoQC/hqtr_qv/tests/nextflow.config | 9 + modules/local/spoQC/hqtr_refinement/main.nf | 53 + modules/local/spoQC/hqtr_refinement/meta.yml | 71 + .../spoQC/hqtr_refinement/tests/main.nf.test | 134 + .../hqtr_refinement/tests/nextflow.config | 9 + modules/local/spoQC/marker/main.nf | 53 + modules/local/spoQC/marker/meta.yml | 64 + modules/local/spoQC/marker/tests/main.nf.test | 91 + .../spoQC/marker/tests/main.nf.test.snap | 72 + .../local/spoQC/marker/tests/nextflow.config | 9 + modules/local/spoQC/model/main.nf | 50 + modules/local/spoQC/model/meta.yml | 62 + modules/local/spoQC/model/tests/main.nf.test | 78 + .../local/spoQC/model/tests/main.nf.test.snap | 130 + .../local/spoQC/model/tests/nextflow.config | 9 + modules/local/spoQC/transcript/main.nf | 54 + modules/local/spoQC/transcript/meta.yml | 61 + .../local/spoQC/transcript/tests/main.nf.test | 91 + .../spoQC/transcript/tests/main.nf.test.snap | 74 + .../spoQC/transcript/tests/nextflow.config | 9 + modules/local/spoQC/void/main.nf | 54 + modules/local/spoQC/void/meta.yml | 67 + modules/local/spoQC/void/tests/main.nf.test | 78 + .../local/spoQC/void/tests/main.nf.test.snap | 108 + .../local/spoQC/void/tests/nextflow.config | 9 + modules/local/spoQC/whole_slide/main.nf | 51 + modules/local/spoQC/whole_slide/meta.yml | 62 + .../spoQC/whole_slide/tests/main.nf.test | 78 + .../spoQC/whole_slide/tests/main.nf.test.snap | 78 + .../spoQC/whole_slide/tests/nextflow.config | 9 + nextflow.config | 1 + subworkflows/local/spoqc/main.nf | 367 ++ subworkflows/local/spoqc/meta.yml | 72 + .../utils_nfcore_spatialaxe_pipeline/main.nf | 4 +- workflows/spatialaxe.nf | 48 +- 150 files changed, 19443 insertions(+), 31 deletions(-) create mode 100644 modules/local/spoQC/ambient/main.nf create mode 100644 modules/local/spoQC/ambient/meta.yml create mode 100644 modules/local/spoQC/ambient/tests/main.nf.test create mode 100644 modules/local/spoQC/ambient/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/ambient/tests/nextflow.config create mode 100644 modules/local/spoQC/analysis_category/main.nf create mode 100644 modules/local/spoQC/analysis_category/meta.yml create mode 100644 modules/local/spoQC/analysis_category/tests/main.nf.test create mode 100644 modules/local/spoQC/analysis_category/tests/nextflow.config create mode 100644 modules/local/spoQC/analysis_cluster/main.nf create mode 100644 modules/local/spoQC/analysis_cluster/meta.yml create mode 100644 modules/local/spoQC/analysis_cluster/tests/main.nf.test create mode 100644 modules/local/spoQC/analysis_cluster/tests/nextflow.config create mode 100644 modules/local/spoQC/analysis_overview/main.nf create mode 100644 modules/local/spoQC/analysis_overview/meta.yml create mode 100644 modules/local/spoQC/analysis_overview/tests/main.nf.test create mode 100644 modules/local/spoQC/analysis_overview/tests/nextflow.config create mode 100644 modules/local/spoQC/annotation/main.nf create mode 100644 modules/local/spoQC/annotation/meta.yml create mode 100644 modules/local/spoQC/annotation/tests/main.nf.test create mode 100644 modules/local/spoQC/annotation/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/annotation/tests/nextflow.config create mode 100644 modules/local/spoQC/bubble/main.nf create mode 100644 modules/local/spoQC/bubble/meta.yml create mode 100644 modules/local/spoQC/bubble/tests/main.nf.test create mode 100644 modules/local/spoQC/bubble/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/bubble/tests/nextflow.config create mode 100644 modules/local/spoQC/cell/main.nf create mode 100644 modules/local/spoQC/cell/meta.yml create mode 100644 modules/local/spoQC/cell/tests/main.nf.test create mode 100644 modules/local/spoQC/cell/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/cell/tests/nextflow.config create mode 100644 modules/local/spoQC/cellcycle/main.nf create mode 100644 modules/local/spoQC/cellcycle/meta.yml create mode 100644 modules/local/spoQC/cellcycle/tests/main.nf.test create mode 100644 modules/local/spoQC/cellcycle/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/cellcycle/tests/nextflow.config create mode 100644 modules/local/spoQC/combine_masks/main.nf create mode 100644 modules/local/spoQC/combine_masks/meta.yml create mode 100644 modules/local/spoQC/combine_masks/tests/main.nf.test create mode 100644 modules/local/spoQC/combine_masks/tests/nextflow.config create mode 100644 modules/local/spoQC/doublet/main.nf create mode 100644 modules/local/spoQC/doublet/meta.yml create mode 100644 modules/local/spoQC/doublet/tests/main.nf.test create mode 100644 modules/local/spoQC/doublet/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/doublet/tests/nextflow.config create mode 100644 modules/local/spoQC/general/main.nf create mode 100644 modules/local/spoQC/general/meta.yml create mode 100644 modules/local/spoQC/general/tests/main.nf.test create mode 100644 modules/local/spoQC/general/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/general/tests/nextflow.config create mode 100644 modules/local/spoQC/hqcr_celltype/main.nf create mode 100644 modules/local/spoQC/hqcr_celltype/meta.yml create mode 100644 modules/local/spoQC/hqcr_celltype/tests/main.nf.test create mode 100644 modules/local/spoQC/hqcr_celltype/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqcr_celltype/tests/nextflow.config create mode 100644 modules/local/spoQC/hqcr_ident/main.nf create mode 100644 modules/local/spoQC/hqcr_ident/meta.yml create mode 100644 modules/local/spoQC/hqcr_ident/tests/main.nf.test create mode 100644 modules/local/spoQC/hqcr_ident/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqcr_ident/tests/nextflow.config create mode 100644 modules/local/spoQC/hqpr_bounding_box/main.nf create mode 100644 modules/local/spoQC/hqpr_bounding_box/meta.yml create mode 100644 modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test create mode 100644 modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config create mode 100644 modules/local/spoQC/hqpr_celltype/main.nf create mode 100644 modules/local/spoQC/hqpr_celltype/meta.yml create mode 100644 modules/local/spoQC/hqpr_celltype/tests/main.nf.test create mode 100644 modules/local/spoQC/hqpr_celltype/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqpr_celltype/tests/nextflow.config create mode 100644 modules/local/spoQC/hqpr_clustering/main.nf create mode 100644 modules/local/spoQC/hqpr_clustering/meta.yml create mode 100644 modules/local/spoQC/hqpr_clustering/tests/main.nf.test create mode 100644 modules/local/spoQC/hqpr_clustering/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqpr_clustering/tests/nextflow.config create mode 100644 modules/local/spoQC/hqpr_metrices/main.nf create mode 100644 modules/local/spoQC/hqpr_metrices/meta.yml create mode 100644 modules/local/spoQC/hqpr_metrices/tests/main.nf.test create mode 100644 modules/local/spoQC/hqpr_metrices/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqpr_metrices/tests/nextflow.config create mode 100644 modules/local/spoQC/hqpr_refinement/main.nf create mode 100644 modules/local/spoQC/hqpr_refinement/meta.yml create mode 100644 modules/local/spoQC/hqpr_refinement/tests/main.nf.test create mode 100644 modules/local/spoQC/hqpr_refinement/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqpr_refinement/tests/nextflow.config create mode 100644 modules/local/spoQC/hqtr_ac/main.nf create mode 100644 modules/local/spoQC/hqtr_ac/meta.yml create mode 100644 modules/local/spoQC/hqtr_ac/tests/main.nf.test create mode 100644 modules/local/spoQC/hqtr_ac/tests/nextflow.config create mode 100644 modules/local/spoQC/hqtr_bounding_box/main.nf create mode 100644 modules/local/spoQC/hqtr_bounding_box/meta.yml create mode 100644 modules/local/spoQC/hqtr_bounding_box/tests/main.nf.test create mode 100644 modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config create mode 100644 modules/local/spoQC/hqtr_celltype/main.nf create mode 100644 modules/local/spoQC/hqtr_celltype/meta.yml create mode 100644 modules/local/spoQC/hqtr_celltype/tests/main.nf.test create mode 100644 modules/local/spoQC/hqtr_celltype/tests/nextflow.config create mode 100644 modules/local/spoQC/hqtr_clustering/main.nf create mode 100644 modules/local/spoQC/hqtr_clustering/meta.yml create mode 100644 modules/local/spoQC/hqtr_clustering/tests/main.nf.test create mode 100644 modules/local/spoQC/hqtr_clustering/tests/nextflow.config create mode 100644 modules/local/spoQC/hqtr_metrices/main.nf create mode 100644 modules/local/spoQC/hqtr_metrices/meta.yml create mode 100644 modules/local/spoQC/hqtr_metrices/tests/main.nf.test create mode 100644 modules/local/spoQC/hqtr_metrices/tests/nextflow.config create mode 100644 modules/local/spoQC/hqtr_qv/main.nf create mode 100644 modules/local/spoQC/hqtr_qv/meta.yml create mode 100644 modules/local/spoQC/hqtr_qv/tests/main.nf.test create mode 100644 modules/local/spoQC/hqtr_qv/tests/nextflow.config create mode 100644 modules/local/spoQC/hqtr_refinement/main.nf create mode 100644 modules/local/spoQC/hqtr_refinement/meta.yml create mode 100644 modules/local/spoQC/hqtr_refinement/tests/main.nf.test create mode 100644 modules/local/spoQC/hqtr_refinement/tests/nextflow.config create mode 100644 modules/local/spoQC/marker/main.nf create mode 100644 modules/local/spoQC/marker/meta.yml create mode 100644 modules/local/spoQC/marker/tests/main.nf.test create mode 100644 modules/local/spoQC/marker/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/marker/tests/nextflow.config create mode 100644 modules/local/spoQC/model/main.nf create mode 100644 modules/local/spoQC/model/meta.yml create mode 100644 modules/local/spoQC/model/tests/main.nf.test create mode 100644 modules/local/spoQC/model/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/model/tests/nextflow.config create mode 100644 modules/local/spoQC/transcript/main.nf create mode 100644 modules/local/spoQC/transcript/meta.yml create mode 100644 modules/local/spoQC/transcript/tests/main.nf.test create mode 100644 modules/local/spoQC/transcript/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/transcript/tests/nextflow.config create mode 100644 modules/local/spoQC/void/main.nf create mode 100644 modules/local/spoQC/void/meta.yml create mode 100644 modules/local/spoQC/void/tests/main.nf.test create mode 100644 modules/local/spoQC/void/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/void/tests/nextflow.config create mode 100644 modules/local/spoQC/whole_slide/main.nf create mode 100644 modules/local/spoQC/whole_slide/meta.yml create mode 100644 modules/local/spoQC/whole_slide/tests/main.nf.test create mode 100644 modules/local/spoQC/whole_slide/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/whole_slide/tests/nextflow.config create mode 100644 subworkflows/local/spoqc/main.nf create mode 100644 subworkflows/local/spoqc/meta.yml diff --git a/assets/samplesheet.csv b/assets/samplesheet.csv index 72ad34f0..74b5ac2f 100644 --- a/assets/samplesheet.csv +++ b/assets/samplesheet.csv @@ -1,2 +1,2 @@ -sample,bundle,image -test_run,https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz, +sample,bundle,image,annotation,stainings +test_run,https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz,,,0; diff --git a/assets/schema_input.json b/assets/schema_input.json index c6cda688..fb7f1ddf 100644 --- a/assets/schema_input.json +++ b/assets/schema_input.json @@ -22,6 +22,16 @@ "type": "string", "pattern": "^\\S+$", "errorMessage": "You can provide an image. If you do not then please leave the field empty." + }, + "annotation": { + "type": "string", + "pattern": "^\\S+$", + "errorMessage": "You can provide an annotation. If you do not then please leave the field empty." + }, + "stainings": { + "type": "string", + "pattern": "^\\S+$", + "errorMessage": "The indices of the image channels of the individual stainings you want to analyse." } }, "required": ["sample", "bundle"] diff --git a/conf/base.config b/conf/base.config index 476c4dbe..27686894 100644 --- a/conf/base.config +++ b/conf/base.config @@ -80,6 +80,16 @@ process { maxRetries = 2 } + // That needs to be included for some processes, esle kalleido failes because of tmp dir issues. + withLabel:spoqc { + beforeScript = { + """ + export TMPDIR=\${SLURM_TMPDIR:-\$NXF_TASK_WORKDIR/tmp} + mkdir -p \$TMPDIR + """ + } + } + // ========================================================================= // GPU labels // ========================================================================= diff --git a/conf/modules.config b/conf/modules.config index 21b274a1..d7c5d75e 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -385,4 +385,188 @@ process { mode: params.publish_dir_mode, ] } + + // ---------------------------- spoQC ----------------------------------------- + + // spoQC + withName: SPOQC_ANALYSIS_OVERVIEW { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_ANALYSIS_CATEGORY { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_ANALYSIS_CLUSTER { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_ANNOTATION { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_BUBBLE { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_CELL { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_CELLCYCLE { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_COMBINE_MASKS { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_DOUBLET { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_GENERAL { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_AMBIENT { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQCR_IDENT { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQCR_CELLTYPE { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQPR_BOUNDING_BOX { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQPR_CELLTYPE { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQPR_CLUSTERING { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQPR_METRICES { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQPR_REFINEMENT { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQTR_BOUNDING_BOX { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQTR_CELLTYPE { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQTR_CLUSTERING { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQTR_METRICES { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQTR_AC { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQTR_QV { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_HQTR_REFINEMENT { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_MARKER { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_MODEL { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_TRANSCRIPT { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_VOID { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } + withName: SPOQC_WHOLE_SLIDE { + publishDir = [ + path: { "${params.outdir}/spoqc" }, + mode: params.publish_dir_mode, + ] + } } diff --git a/main.nf b/main.nf index ed5c9d42..71dc509c 100644 --- a/main.nf +++ b/main.nf @@ -79,6 +79,7 @@ workflow NFCORE_SPATIALAXE { params.stardist_nuclei_model, params.tiling, params.xeniumranger_only, + params.spoqc, ) emit: multiqc_report = SPATIALAXE.out.multiqc_report // channel: /path/to/multiqc_report.html diff --git a/modules.json b/modules.json index c215c2ed..9dd460ec 100644 --- a/modules.json +++ b/modules.json @@ -8,65 +8,87 @@ "cellpose": { "branch": "master", "git_sha": "0780b963d3ab087e861a4b74e9d0e404115e5352", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/cellpose/cellpose.diff" }, "multiqc": { "branch": "master", "git_sha": "cb9f4bec379866ca560f7f79d9a9a06bea8c9b51", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/multiqc/multiqc.diff" }, "opt/flip": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/opt/flip/opt-flip.diff" }, "opt/stat": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/opt/stat/opt-stat.diff" }, "opt/track": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/opt/track/opt-track.diff" }, "stardist": { "branch": "master", "git_sha": "4e783502ab661bed13f15189401b73c93966831f", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/stardist/stardist.diff" }, "untar": { "branch": "master", "git_sha": "447f7bc0fa41dfc2400c8cad4c0291880dc060cf", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/untar/untar.diff" }, "unzip": { "branch": "master", "git_sha": "4dd9d8439a429c7ee566e0e2347f76ddeef27e66", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/unzip/unzip.diff" }, "xeniumranger/import-segmentation": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "xeniumranger/relabel": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "xeniumranger/resegment": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] } } }, @@ -75,20 +97,26 @@ "utils_nextflow_pipeline": { "branch": "master", "git_sha": "05954dab2ff481bcb999f24455da29a5828af08d", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] }, "utils_nfcore_pipeline": { "branch": "master", "git_sha": "05954dab2ff481bcb999f24455da29a5828af08d", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] }, "utils_nfschema_plugin": { "branch": "master", "git_sha": "4b406a74dc0449c0401ed87d5bfff4252fd277fd", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] } } } } } -} +} \ No newline at end of file diff --git a/modules/local/spoQC/ambient/main.nf b/modules/local/spoQC/ambient/main.nf new file mode 100644 index 00000000..f04f24e4 --- /dev/null +++ b/modules/local/spoQC/ambient/main.nf @@ -0,0 +1,53 @@ + +process SPOQC_AMBIENT { + tag "$meta.id" + label 'process_high' + label 'spoqc' + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/ambientqc") , emit: report + path("./spoQC_tmp/ambient_output_genes.parquet") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_AMBIENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_AMBIENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/ambientqc + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/ambient_output_genes.parquet + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/ambient/meta.yml b/modules/local/spoQC/ambient/meta.yml new file mode 100644 index 00000000..cc2902c7 --- /dev/null +++ b/modules/local/spoQC/ambient/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_ambient +description: | + Run ambient-RNA (background gene) QC checks on a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - ambient rna +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: | + Per-gene ambient-RNA QC parquet output, consumed by the HQTR ambient-contamination (hqtr_ac) step. + pattern: "ambient_output_genes.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/ambient/tests/main.nf.test b/modules/local/spoQC/ambient/tests/main.nf.test new file mode 100644 index 00000000..0ea07986 --- /dev/null +++ b/modules/local/spoQC/ambient/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_AMBIENT" + script "../main.nf" + process "SPOQC_AMBIENT" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/ambient" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc ambient") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc ambient stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/ambient/tests/main.nf.test.snap b/modules/local/spoQC/ambient/tests/main.nf.test.snap new file mode 100644 index 00000000..a46f44d0 --- /dev/null +++ b/modules/local/spoQC/ambient/tests/main.nf.test.snap @@ -0,0 +1,88 @@ +{ + "spoqc ambient": { + "content": [ + { + "0": [ + [ + "contamination_global_morans_I.html:md5,05471833f2dbd64e07141fdda05bd4b0", + "contamination_global_morans_I.pdf:md5,d18ec7937a2e7e6e49efcaeabb968825", + "contamination_global_morans_I.png:md5,04eeb635f731aff7ecf5e11fbdc11afe" + ] + ], + "1": [ + "ambient_output_genes.parquet:md5,fc63dba502c1a27db1a91c218ff4a5ee" + ], + "2": [ + [ + "SPOQC_AMBIENT", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + "contamination_global_morans_I.html:md5,05471833f2dbd64e07141fdda05bd4b0", + "contamination_global_morans_I.pdf:md5,d18ec7937a2e7e6e49efcaeabb968825", + "contamination_global_morans_I.png:md5,04eeb635f731aff7ecf5e11fbdc11afe" + ] + ], + "tmp": [ + "ambient_output_genes.parquet:md5,fc63dba502c1a27db1a91c218ff4a5ee" + ], + "versions_spoqc": [ + [ + "SPOQC_AMBIENT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:50:40.184188726", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc ambient stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + "ambient_output_genes.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + [ + "SPOQC_AMBIENT", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "tmp": [ + "ambient_output_genes.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_AMBIENT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:51:12.043186597", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/ambient/tests/nextflow.config b/modules/local/spoQC/ambient/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/ambient/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/analysis_category/main.nf b/modules/local/spoQC/analysis_category/main.nf new file mode 100644 index 00000000..5924f9a3 --- /dev/null +++ b/modules/local/spoQC/analysis_category/main.nf @@ -0,0 +1,67 @@ +process SPOQC_ANALYSIS_CATEGORY { + tag "${meta.id}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + path(tmp_general, stageAs: "spoQC_tmp/generalqc_output_hqcr.parquet") + path(tmp_bubble, stageAs: "spoQC_tmp/bubbleqc_output_hqcr.parquet") + path(tmp_doublet, stageAs: "spoQC_tmp/doubletqc_output_hqcr.parquet") + path(tmp_void, stageAs: "spoQC_tmp/voidqc_output_hqcr.parquet") + path(tmp_cell, stageAs: "spoQC_tmp/cellqc_output_hqcr.parquet") + path(mask_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_raw.parquet") + path(mask_smoothed_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_smoothed_raw.parquet") + path(qv, stageAs: "spoQC_tmp/hqtr_output_qv_prob") + path(ac, stageAs: "spoQC_tmp/hqtr_output_ac_prob") + path(metrices_hqtr, stageAs: "spoQC_tmp/metrices/hqtr") + path(mask_smoothed_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_smoothed_raw") + path(mask_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_raw") + path(metrices_hqpr, stageAs: "spoQC_tmp/metrices/hqpr/*") + path(mask_smoothed_hqpr, stageAs: "spoQC_tmp/*") + path(mask_hqpr, stageAs: "spoQC_tmp/*") + + output: + path("report/analysis/category") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANALYSIS_CATEGORY module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANALYSIS_CATEGORY module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/analysis/category + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/analysis_category/meta.yml b/modules/local/spoQC/analysis_category/meta.yml new file mode 100644 index 00000000..b86c97eb --- /dev/null +++ b/modules/local/spoQC/analysis_category/meta.yml @@ -0,0 +1,123 @@ +name: spoqc_analysis_category +description: | + Generate a downstream per-category QC analysis report, combining all upstream spoQC outputs. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - downstream analysis +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - tmp_general: + type: file + description: General QC parquet output from SPOQC_GENERAL + pattern: "generalqc_output_hqcr.parquet" + - tmp_bubble: + type: file + description: Bubble QC parquet output from SPOQC_BUBBLE + pattern: "bubbleqc_output_hqcr.parquet" + - tmp_doublet: + type: file + description: Doublet QC parquet output from SPOQC_DOUBLET + pattern: "doubletqc_output_hqcr.parquet" + - tmp_void: + type: file + description: Void QC parquet output from SPOQC_VOID + pattern: "voidqc_output_hqcr.parquet" + - tmp_cell: + type: file + description: Cell QC parquet output from SPOQC_CELL + pattern: "cellqc_output_hqcr.parquet" + - mask_hqcr: + type: file + description: HQCR raw mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_raw.parquet" + - mask_smoothed_hqcr: + type: file + description: Smoothed HQCR mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_smoothed_raw.parquet" + - qv: + type: file + description: HQTR quality-value probability output from SPOQC_HQTR_QV + pattern: "hqtr_output_qv_prob" + - ac: + type: file + description: HQTR ambient-contamination probability output from SPOQC_HQTR_AC + pattern: "hqtr_output_ac_prob" + - metrices_hqtr: + type: directory + description: HQTR metrics directory from SPOQC_HQTR_METRICES + pattern: "spoQC_tmp/metrices/hqtr" + - mask_smoothed_hqtr: + type: file + description: Smoothed HQTR mask from SPOQC_HQTR_REFINEMENT + pattern: "hqtr_output_mask_smoothed_raw" + - mask_hqtr: + type: file + description: HQTR raw mask from SPOQC_HQTR_CLUSTERING + pattern: "hqtr_output_mask_raw" + - metrices_hqpr: + type: directory + description: Collected per-staining HQPR metrics directories from SPOQC_HQPR_METRICES + pattern: "spoQC_tmp/metrices/hqpr/*" + - mask_smoothed_hqpr: + type: file + description: Collected per-staining smoothed HQPR masks from SPOQC_HQPR_REFINEMENT + pattern: "spoQC_tmp/*" + - mask_hqpr: + type: file + description: Collected per-staining raw HQPR masks from SPOQC_HQPR_CLUSTERING + pattern: "spoQC_tmp/*" +output: + - report: + type: directory + description: HTML/plot per-category analysis report directory + pattern: "report/analysis/category" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/analysis_category/tests/main.nf.test b/modules/local/spoQC/analysis_category/tests/main.nf.test new file mode 100644 index 00000000..ae89f74b --- /dev/null +++ b/modules/local/spoQC/analysis_category/tests/main.nf.test @@ -0,0 +1,286 @@ +nextflow_process { + + name "Test Process SPOQC_ANALYSIS_CATEGORY" + script "../main.nf" + process "SPOQC_ANALYSIS_CATEGORY" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/analysis_category" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + run("SPOQC_HQCR_IDENT") { + script "modules/local/spoQC/hqcr_ident/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqcr_ident" + input[2] = SPOQC_GENERAL.out.tmp + input[3] = SPOQC_BUBBLE.out.tmp + input[4] = SPOQC_DOUBLET.out.tmp + input[5] = SPOQC_VOID.out.tmp + input[6] = SPOQC_CELL.out.tmp + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + run("SPOQC_HQTR_REFINEMENT") { + script "modules/local/spoQC/hqtr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + run("SPOQC_HQPR_REFINEMENT") { + script "modules/local/spoQC/hqpr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc analysis_category") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_category" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc analysis_category stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_category" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/analysis_category/tests/nextflow.config b/modules/local/spoQC/analysis_category/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/analysis_category/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/analysis_cluster/main.nf b/modules/local/spoQC/analysis_cluster/main.nf new file mode 100644 index 00000000..eb4a953c --- /dev/null +++ b/modules/local/spoQC/analysis_cluster/main.nf @@ -0,0 +1,69 @@ +process SPOQC_ANALYSIS_CLUSTER { + tag "${meta.id}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + path(tmp_general, stageAs: "spoQC_tmp/generalqc_output_hqcr.parquet") + path(tmp_bubble, stageAs: "spoQC_tmp/bubbleqc_output_hqcr.parquet") + path(tmp_doublet, stageAs: "spoQC_tmp/doubletqc_output_hqcr.parquet") + path(tmp_void, stageAs: "spoQC_tmp/voidqc_output_hqcr.parquet") + path(tmp_cell, stageAs: "spoQC_tmp/cellqc_output_hqcr.parquet") + path(mask_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_raw.parquet") + path(mask_smoothed_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_smoothed_raw.parquet") + path(qv, stageAs: "spoQC_tmp/hqtr_output_qv_prob") + path(ac, stageAs: "spoQC_tmp/hqtr_output_ac_prob") + path(metrices_hqtr, stageAs: "spoQC_tmp/metrices/hqtr") + path(mask_smoothed_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_smoothed_raw") + path(mask_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_raw") + path(metrices_hqpr, stageAs: "spoQC_tmp/metrices/hqpr/*") + path(mask_smoothed_hqpr, stageAs: "spoQC_tmp/*") + path(mask_hqpr, stageAs: "spoQC_tmp/*") + + output: + path("report/analysis/cluster") , emit: report + path("report/analysis/rna_cluster.h5ad") , emit: h5ad + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANALYSIS_CLUSTER module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANALYSIS_CLUSTER module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/analysis/cluster + touch report/analysis/rna_cluster.h5ad + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/analysis_cluster/meta.yml b/modules/local/spoQC/analysis_cluster/meta.yml new file mode 100644 index 00000000..e35b2d7b --- /dev/null +++ b/modules/local/spoQC/analysis_cluster/meta.yml @@ -0,0 +1,129 @@ +name: spoqc_analysis_cluster +description: | + Generate the downstream clustering QC analysis report and a clustered AnnData object, combining all upstream spoQC outputs. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - downstream analysis + - clustering + - anndata +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - tmp_general: + type: file + description: General QC parquet output from SPOQC_GENERAL + pattern: "generalqc_output_hqcr.parquet" + - tmp_bubble: + type: file + description: Bubble QC parquet output from SPOQC_BUBBLE + pattern: "bubbleqc_output_hqcr.parquet" + - tmp_doublet: + type: file + description: Doublet QC parquet output from SPOQC_DOUBLET + pattern: "doubletqc_output_hqcr.parquet" + - tmp_void: + type: file + description: Void QC parquet output from SPOQC_VOID + pattern: "voidqc_output_hqcr.parquet" + - tmp_cell: + type: file + description: Cell QC parquet output from SPOQC_CELL + pattern: "cellqc_output_hqcr.parquet" + - mask_hqcr: + type: file + description: HQCR raw mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_raw.parquet" + - mask_smoothed_hqcr: + type: file + description: Smoothed HQCR mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_smoothed_raw.parquet" + - qv: + type: file + description: HQTR quality-value probability output from SPOQC_HQTR_QV + pattern: "hqtr_output_qv_prob" + - ac: + type: file + description: HQTR ambient-contamination probability output from SPOQC_HQTR_AC + pattern: "hqtr_output_ac_prob" + - metrices_hqtr: + type: directory + description: HQTR metrics directory from SPOQC_HQTR_METRICES + pattern: "spoQC_tmp/metrices/hqtr" + - mask_smoothed_hqtr: + type: file + description: Smoothed HQTR mask from SPOQC_HQTR_REFINEMENT + pattern: "hqtr_output_mask_smoothed_raw" + - mask_hqtr: + type: file + description: HQTR raw mask from SPOQC_HQTR_CLUSTERING + pattern: "hqtr_output_mask_raw" + - metrices_hqpr: + type: directory + description: Collected per-staining HQPR metrics directories from SPOQC_HQPR_METRICES + pattern: "spoQC_tmp/metrices/hqpr/*" + - mask_smoothed_hqpr: + type: file + description: Collected per-staining smoothed HQPR masks from SPOQC_HQPR_REFINEMENT + pattern: "spoQC_tmp/*" + - mask_hqpr: + type: file + description: Collected per-staining raw HQPR masks from SPOQC_HQPR_CLUSTERING + pattern: "spoQC_tmp/*" +output: + - report: + type: directory + description: HTML/plot clustering analysis report directory + pattern: "report/analysis/cluster" + - h5ad: + type: file + description: Clustered AnnData object combining all spoQC outputs + pattern: "report/analysis/rna_cluster.h5ad" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/analysis_cluster/tests/main.nf.test b/modules/local/spoQC/analysis_cluster/tests/main.nf.test new file mode 100644 index 00000000..9c424d5c --- /dev/null +++ b/modules/local/spoQC/analysis_cluster/tests/main.nf.test @@ -0,0 +1,286 @@ +nextflow_process { + + name "Test Process SPOQC_ANALYSIS_CLUSTER" + script "../main.nf" + process "SPOQC_ANALYSIS_CLUSTER" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/analysis_cluster" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + run("SPOQC_HQCR_IDENT") { + script "modules/local/spoQC/hqcr_ident/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqcr_ident" + input[2] = SPOQC_GENERAL.out.tmp + input[3] = SPOQC_BUBBLE.out.tmp + input[4] = SPOQC_DOUBLET.out.tmp + input[5] = SPOQC_VOID.out.tmp + input[6] = SPOQC_CELL.out.tmp + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + run("SPOQC_HQTR_REFINEMENT") { + script "modules/local/spoQC/hqtr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + run("SPOQC_HQPR_REFINEMENT") { + script "modules/local/spoQC/hqpr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc analysis_cluster") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_cluster" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc analysis_cluster stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_cluster" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/analysis_cluster/tests/nextflow.config b/modules/local/spoQC/analysis_cluster/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/analysis_cluster/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/analysis_overview/main.nf b/modules/local/spoQC/analysis_overview/main.nf new file mode 100644 index 00000000..21046396 --- /dev/null +++ b/modules/local/spoQC/analysis_overview/main.nf @@ -0,0 +1,69 @@ +process SPOQC_ANALYSIS_OVERVIEW { + tag "${meta.id}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + path(tmp_general, stageAs: "spoQC_tmp/generalqc_output_hqcr.parquet") + path(tmp_bubble, stageAs: "spoQC_tmp/bubbleqc_output_hqcr.parquet") + path(tmp_doublet, stageAs: "spoQC_tmp/doubletqc_output_hqcr.parquet") + path(tmp_void, stageAs: "spoQC_tmp/voidqc_output_hqcr.parquet") + path(tmp_cell, stageAs: "spoQC_tmp/cellqc_output_hqcr.parquet") + path(mask_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_raw.parquet") + path(mask_smoothed_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_smoothed_raw.parquet") + path(qv, stageAs: "spoQC_tmp/hqtr_output_qv_prob") + path(ac, stageAs: "spoQC_tmp/hqtr_output_ac_prob") + path(metrices_hqtr, stageAs: "spoQC_tmp/metrices/hqtr") + path(mask_smoothed_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_smoothed_raw") + path(mask_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_raw") + path(metrices_hqpr, stageAs: "spoQC_tmp/metrices/hqpr/*") + path(mask_smoothed_hqpr, stageAs: "spoQC_tmp/*") + path(mask_hqpr, stageAs: "spoQC_tmp/*") + + output: + path("report/analysis/overview") , emit: report + path("report/analysis/rna_qc_annotated.h5ad") , emit: h5ad + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANALYSIS_OVERVIEW module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANALYSIS_OVERVIEW module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/analysis/overview + touch report/analysis/rna_qc_annotated.h5ad + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/analysis_overview/meta.yml b/modules/local/spoQC/analysis_overview/meta.yml new file mode 100644 index 00000000..bc9524de --- /dev/null +++ b/modules/local/spoQC/analysis_overview/meta.yml @@ -0,0 +1,128 @@ +name: spoqc_analysis_overview +description: | + Generate the downstream QC analysis overview report and an annotated AnnData object, combining all upstream spoQC outputs. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - downstream analysis + - anndata +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - tmp_general: + type: file + description: General QC parquet output from SPOQC_GENERAL + pattern: "generalqc_output_hqcr.parquet" + - tmp_bubble: + type: file + description: Bubble QC parquet output from SPOQC_BUBBLE + pattern: "bubbleqc_output_hqcr.parquet" + - tmp_doublet: + type: file + description: Doublet QC parquet output from SPOQC_DOUBLET + pattern: "doubletqc_output_hqcr.parquet" + - tmp_void: + type: file + description: Void QC parquet output from SPOQC_VOID + pattern: "voidqc_output_hqcr.parquet" + - tmp_cell: + type: file + description: Cell QC parquet output from SPOQC_CELL + pattern: "cellqc_output_hqcr.parquet" + - mask_hqcr: + type: file + description: HQCR raw mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_raw.parquet" + - mask_smoothed_hqcr: + type: file + description: Smoothed HQCR mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_smoothed_raw.parquet" + - qv: + type: file + description: HQTR quality-value probability output from SPOQC_HQTR_QV + pattern: "hqtr_output_qv_prob" + - ac: + type: file + description: HQTR ambient-contamination probability output from SPOQC_HQTR_AC + pattern: "hqtr_output_ac_prob" + - metrices_hqtr: + type: directory + description: HQTR metrics directory from SPOQC_HQTR_METRICES + pattern: "spoQC_tmp/metrices/hqtr" + - mask_smoothed_hqtr: + type: file + description: Smoothed HQTR mask from SPOQC_HQTR_REFINEMENT + pattern: "hqtr_output_mask_smoothed_raw" + - mask_hqtr: + type: file + description: HQTR raw mask from SPOQC_HQTR_CLUSTERING + pattern: "hqtr_output_mask_raw" + - metrices_hqpr: + type: directory + description: Collected per-staining HQPR metrics directories from SPOQC_HQPR_METRICES + pattern: "spoQC_tmp/metrices/hqpr/*" + - mask_smoothed_hqpr: + type: file + description: Collected per-staining smoothed HQPR masks from SPOQC_HQPR_REFINEMENT + pattern: "spoQC_tmp/*" + - mask_hqpr: + type: file + description: Collected per-staining raw HQPR masks from SPOQC_HQPR_CLUSTERING + pattern: "spoQC_tmp/*" +output: + - report: + type: directory + description: HTML/plot analysis overview report directory + pattern: "report/analysis/overview" + - h5ad: + type: file + description: Annotated AnnData object combining all spoQC outputs + pattern: "report/analysis/rna_qc_annotated.h5ad" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/analysis_overview/tests/main.nf.test b/modules/local/spoQC/analysis_overview/tests/main.nf.test new file mode 100644 index 00000000..7c01b7e9 --- /dev/null +++ b/modules/local/spoQC/analysis_overview/tests/main.nf.test @@ -0,0 +1,286 @@ +nextflow_process { + + name "Test Process SPOQC_ANALYSIS_OVERVIEW" + script "../main.nf" + process "SPOQC_ANALYSIS_OVERVIEW" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/analysis_overview" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + run("SPOQC_HQCR_IDENT") { + script "modules/local/spoQC/hqcr_ident/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqcr_ident" + input[2] = SPOQC_GENERAL.out.tmp + input[3] = SPOQC_BUBBLE.out.tmp + input[4] = SPOQC_DOUBLET.out.tmp + input[5] = SPOQC_VOID.out.tmp + input[6] = SPOQC_CELL.out.tmp + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + run("SPOQC_HQTR_REFINEMENT") { + script "modules/local/spoQC/hqtr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + run("SPOQC_HQPR_REFINEMENT") { + script "modules/local/spoQC/hqpr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc analysis_overview") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_overview" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc analysis_overview stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_overview" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/analysis_overview/tests/nextflow.config b/modules/local/spoQC/analysis_overview/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/analysis_overview/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/annotation/main.nf b/modules/local/spoQC/annotation/main.nf new file mode 100644 index 00000000..d2427e8b --- /dev/null +++ b/modules/local/spoQC/annotation/main.nf @@ -0,0 +1,53 @@ + +process SPOQC_ANNOTATION { + tag "$meta.id" + label 'process_high' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + + output: + path("./report/annotation") , emit: report + path("./report/annotation/unsupervised_cell_annotation.tsv") , emit: annotation + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + !annotation || (annotation instanceof List && annotation.isEmpty()) + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANNOTATION module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_ANNOTATION module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/annotation + touch ./report/annotation/unsupervised_cell_annotation.tsv + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/annotation/meta.yml b/modules/local/spoQC/annotation/meta.yml new file mode 100644 index 00000000..266c7205 --- /dev/null +++ b/modules/local/spoQC/annotation/meta.yml @@ -0,0 +1,68 @@ +name: spoqc_annotation +description: | + Generate unsupervised cell-type annotation for a SpatialData object. + + Only runs when no cell-type annotation file was supplied upstream (`when: !annotation || (annotation instanceof List && annotation.isEmpty())`); otherwise the pipeline uses the user-supplied annotation directly. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - cell type annotation +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - annotation: + type: file + description: Unsupervised cell-type annotation table generated when no annotation was supplied. + pattern: "unsupervised_cell_annotation.tsv" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/annotation/tests/main.nf.test b/modules/local/spoQC/annotation/tests/main.nf.test new file mode 100644 index 00000000..7c72ed19 --- /dev/null +++ b/modules/local/spoQC/annotation/tests/main.nf.test @@ -0,0 +1,80 @@ +nextflow_process { + + name "Test Process SPOQC_ANNOTATION" + script "../main.nf" + process "SPOQC_ANNOTATION" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/annotation" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc annotation") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc annotation stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/annotation/tests/main.nf.test.snap b/modules/local/spoQC/annotation/tests/main.nf.test.snap new file mode 100644 index 00000000..8441917e --- /dev/null +++ b/modules/local/spoQC/annotation/tests/main.nf.test.snap @@ -0,0 +1,92 @@ +{ + "spoqc annotation": { + "content": [ + { + "0": [ + [ + "test_resolutions_leiden_clustering_num_clusters.pdf:md5,d6aeee4383f43c2ad2a472ab2d3ae02d", + "test_resolutions_leiden_clustering_num_clusters.png:md5,630a429436f93f461a1458f0e36845f8", + "test_resolutions_leiden_clustering_ss.pdf:md5,3c557c06eef4fa9e8d2faedbfb618d06", + "test_resolutions_leiden_clustering_ss.png:md5,5dc4bab9064bf0cc7bfcef166774cc93", + "unsupervised_cell_annotation.tsv:md5,9f6005432cf6e30d5305d8a49d7f3aa7" + ] + ], + "1": [ + "unsupervised_cell_annotation.tsv:md5,9f6005432cf6e30d5305d8a49d7f3aa7" + ], + "2": [ + [ + "SPOQC_ANNOTATION", + "spoqc", + "0.1.0" + ] + ], + "annotation": [ + "unsupervised_cell_annotation.tsv:md5,9f6005432cf6e30d5305d8a49d7f3aa7" + ], + "report": [ + [ + "test_resolutions_leiden_clustering_num_clusters.pdf:md5,d6aeee4383f43c2ad2a472ab2d3ae02d", + "test_resolutions_leiden_clustering_num_clusters.png:md5,630a429436f93f461a1458f0e36845f8", + "test_resolutions_leiden_clustering_ss.pdf:md5,3c557c06eef4fa9e8d2faedbfb618d06", + "test_resolutions_leiden_clustering_ss.png:md5,5dc4bab9064bf0cc7bfcef166774cc93", + "unsupervised_cell_annotation.tsv:md5,9f6005432cf6e30d5305d8a49d7f3aa7" + ] + ], + "versions_spoqc": [ + [ + "SPOQC_ANNOTATION", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:47:03.110024426", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc annotation stub": { + "content": [ + { + "0": [ + [ + "unsupervised_cell_annotation.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + "unsupervised_cell_annotation.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + [ + "SPOQC_ANNOTATION", + "spoqc", + "0.1.0" + ] + ], + "annotation": [ + "unsupervised_cell_annotation.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "report": [ + [ + "unsupervised_cell_annotation.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions_spoqc": [ + [ + "SPOQC_ANNOTATION", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:47:35.415151919", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/annotation/tests/nextflow.config b/modules/local/spoQC/annotation/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/annotation/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/bubble/main.nf b/modules/local/spoQC/bubble/main.nf new file mode 100644 index 00000000..0bbd337c --- /dev/null +++ b/modules/local/spoQC/bubble/main.nf @@ -0,0 +1,53 @@ + +process SPOQC_BUBBLE { + tag "$meta.id" + label 'process_medium' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/bubbleqc") , emit: report + path("./spoQC_tmp/bubbleqc_output_hqcr.parquet") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_BUBBLE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_BUBBLE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/bubbleqc + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/bubbleqc_output_hqcr.parquet + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/bubble/meta.yml b/modules/local/spoQC/bubble/meta.yml new file mode 100644 index 00000000..2d0892c7 --- /dev/null +++ b/modules/local/spoQC/bubble/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_bubble +description: | + Run bubble-artifact QC checks on a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - bubble artifact +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: | + Per-cell bubble-artifact QC parquet output, consumed by the HQCR identification/cell-type and downstream analysis steps. + pattern: "bubbleqc_output_hqcr.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/bubble/tests/main.nf.test b/modules/local/spoQC/bubble/tests/main.nf.test new file mode 100644 index 00000000..90bef06c --- /dev/null +++ b/modules/local/spoQC/bubble/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_BUBBLE" + script "../main.nf" + process "SPOQC_BUBBLE" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/bubble" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc bubble") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc bubble stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/bubble/tests/main.nf.test.snap b/modules/local/spoQC/bubble/tests/main.nf.test.snap new file mode 100644 index 00000000..6063c9ae --- /dev/null +++ b/modules/local/spoQC/bubble/tests/main.nf.test.snap @@ -0,0 +1,96 @@ +{ + "spoqc bubble": { + "content": [ + { + "0": [ + [ + "bubble.html:md5,3dda0074d114c137b803815fb21f902f", + "histogram_log10_thinness_score.pdf:md5,76f8ffa24b31b9aca2be87ec4221f39b", + "histogram_log10_thinness_score.png:md5,46e01d6358ad2b5d4ba6c5c4c8c687c5", + "scatterplot_bubbleqc.pdf:md5,d34683fe2e02b4cd47996f6c8f1a9e71", + "scatterplot_bubbleqc.png:md5,adfbd10dbd44fd3b8bd098f40c9095ac", + "violinplot_log10_cell_areas.pdf:md5,0cad8255375c69633b6fe6bff347d1a4", + "violinplot_log10_cell_areas.png:md5,90ab53fd6269cdf8581c6ef78b34ef39" + ] + ], + "1": [ + "bubbleqc_output_hqcr.parquet:md5,5e778a7d741c69dd3deeb7177caffbb5" + ], + "2": [ + [ + "SPOQC_BUBBLE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + "bubble.html:md5,3dda0074d114c137b803815fb21f902f", + "histogram_log10_thinness_score.pdf:md5,76f8ffa24b31b9aca2be87ec4221f39b", + "histogram_log10_thinness_score.png:md5,46e01d6358ad2b5d4ba6c5c4c8c687c5", + "scatterplot_bubbleqc.pdf:md5,d34683fe2e02b4cd47996f6c8f1a9e71", + "scatterplot_bubbleqc.png:md5,adfbd10dbd44fd3b8bd098f40c9095ac", + "violinplot_log10_cell_areas.pdf:md5,0cad8255375c69633b6fe6bff347d1a4", + "violinplot_log10_cell_areas.png:md5,90ab53fd6269cdf8581c6ef78b34ef39" + ] + ], + "tmp": [ + "bubbleqc_output_hqcr.parquet:md5,5e778a7d741c69dd3deeb7177caffbb5" + ], + "versions_spoqc": [ + [ + "SPOQC_BUBBLE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:43:23.781806516", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc bubble stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + "bubbleqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + [ + "SPOQC_BUBBLE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "tmp": [ + "bubbleqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_BUBBLE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:43:54.57791893", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/bubble/tests/nextflow.config b/modules/local/spoQC/bubble/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/bubble/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/cell/main.nf b/modules/local/spoQC/cell/main.nf new file mode 100644 index 00000000..d81673df --- /dev/null +++ b/modules/local/spoQC/cell/main.nf @@ -0,0 +1,54 @@ + +process SPOQC_CELL { + tag "$meta.id" + label 'process_medium' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/cellqc") , emit: report + path("./spoQC_tmp/cellqc_output_hqcr.parquet") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_CELL module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_CELL module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/cellqc + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/cellqc_output_hqcr.parquet + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/cell/meta.yml b/modules/local/spoQC/cell/meta.yml new file mode 100644 index 00000000..d83c471c --- /dev/null +++ b/modules/local/spoQC/cell/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_cell +description: | + Run cell-level QC checks on a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - cell qc +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: | + Per-cell QC parquet output, consumed by the HQCR identification/cell-type and downstream analysis steps. + pattern: "cellqc_output_hqcr.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/cell/tests/main.nf.test b/modules/local/spoQC/cell/tests/main.nf.test new file mode 100644 index 00000000..9bb29c65 --- /dev/null +++ b/modules/local/spoQC/cell/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_CELL" + script "../main.nf" + process "SPOQC_CELL" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/cell" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc cell") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc cell stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/cell/tests/main.nf.test.snap b/modules/local/spoQC/cell/tests/main.nf.test.snap new file mode 100644 index 00000000..e868fed8 --- /dev/null +++ b/modules/local/spoQC/cell/tests/main.nf.test.snap @@ -0,0 +1,138 @@ +{ + "spoqc cell stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + "cellqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + [ + "SPOQC_CELL", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "tmp": [ + "cellqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_CELL", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T13:00:12.099206554", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc cell": { + "content": [ + { + "0": [ + [ + "barplot_nuceli_counts.pdf:md5,ccee627fb0353ee62623fd65ec9b8184", + "barplot_nuceli_counts.png:md5,98a1fad5d1ecb62b8a91aaaacfbfda75", + "convexity.html:md5,6aae1d269ea67d77d0bafc71ff94f9d1", + "histogram_convexity_mean_nuceli.pdf:md5,1405b71c4b16b89441291c89021e952a", + "histogram_convexity_mean_nuceli.png:md5,76ac936444fab010f9ceb094693cafa7", + "histogram_convexity_metric_cell.pdf:md5,d825be1c7bc48b201c9a02a655420ecd", + "histogram_convexity_metric_cell.png:md5,66238f5bda3f7f94e0deeae73b0ab658", + "nuceli_counts.html:md5,6fc68f4f5ff5ed6e341c4c031af5818c", + "scatterplot_border_cell.pdf:md5,af5e92aba751c293fb80ef64949e45df", + "scatterplot_border_cell.png:md5,556b58943ceeed6cc760ca3e9f870393", + "scatterplot_convexity_cell.pdf:md5,585d37752dd3723632baa6b6d2a7e5f3", + "scatterplot_convexity_cell.png:md5,9332f51937b24e682477f42912a0dcff", + "scatterplot_convexity_nuclei.pdf:md5,031eeaea57b296f5f9e10f67b31fe634", + "scatterplot_convexity_nuclei.png:md5,0e4b4639dc5981d91015b356f0240fac", + "scatterplot_densityplot_convexity_cell_convexity_metric_cell.pdf:md5,ea66f913aad1972a8d645b0821b2caec", + "scatterplot_densityplot_convexity_cell_convexity_metric_cell.png:md5,dcd3a680d9b0b5e802cf1cf02db17406", + "scatterplot_densityplot_convexity_nuclei_convexity_mean_nuceli.pdf:md5,cb1bd0628273010cf0458c944ffcca0f", + "scatterplot_densityplot_convexity_nuclei_convexity_mean_nuceli.png:md5,e590a3adcbdf129043849ca29289bc76", + 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+ "scatterplot_densityplot_convexity_cell_convexity_metric_cell.pdf:md5,ea66f913aad1972a8d645b0821b2caec", + "scatterplot_densityplot_convexity_cell_convexity_metric_cell.png:md5,dcd3a680d9b0b5e802cf1cf02db17406", + "scatterplot_densityplot_convexity_nuclei_convexity_mean_nuceli.pdf:md5,cb1bd0628273010cf0458c944ffcca0f", + "scatterplot_densityplot_convexity_nuclei_convexity_mean_nuceli.png:md5,e590a3adcbdf129043849ca29289bc76", + "scatterplot_densityplot_convexity_nuclei_convexity_metric_cell.pdf:md5,ea8869b3a47aebd9a822cafd7513fab3", + "scatterplot_densityplot_convexity_nuclei_convexity_metric_cell.png:md5,5c49f8109eae3becff284f5a86cacdc8", + "scatterplot_densityplot_num_low_qc_transcript.pdf:md5,f883230c6b246a8b33e8bbebd38a5cfa", + "scatterplot_densityplot_num_low_qc_transcript.png:md5,ab3ff506a40ae6622e303b4d07962b8f", + "scatterplot_island.pdf:md5,352e1cb0a3bcfb9145ea17aeb1dbb9b6", + "scatterplot_island.png:md5,973be2eda9f529799ccb7cc7155a1069", + "scatterplot_multi_nuceli.pdf:md5,128822abbf51d400e730012bfb255b82", + "scatterplot_multi_nuceli.png:md5,3feff03f60e34c77f07211af463d7a00", + "scatterplot_nucleus_free.pdf:md5,42a9b9b7ee9256e907d4291b8dac62e8", + "scatterplot_nucleus_free.png:md5,0b4e4491b304d3e521e8930d9d07525f" + ] + ], + "tmp": [ + "cellqc_output_hqcr.parquet:md5,f25587320d95f04dd03ba36459246b69" + ], + "versions_spoqc": [ + [ + "SPOQC_CELL", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:59:43.573520544", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/cell/tests/nextflow.config b/modules/local/spoQC/cell/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/cell/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/cellcycle/main.nf b/modules/local/spoQC/cellcycle/main.nf new file mode 100644 index 00000000..e22b1f58 --- /dev/null +++ b/modules/local/spoQC/cellcycle/main.nf @@ -0,0 +1,48 @@ + +process SPOQC_CELLCYCLE { + tag "$meta.id" + label 'process_medium' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/cellcycleqc") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_CELLCYCLE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_CELLCYCLE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/cellcycleqc + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/cellcycle/meta.yml b/modules/local/spoQC/cellcycle/meta.yml new file mode 100644 index 00000000..57a245ab --- /dev/null +++ b/modules/local/spoQC/cellcycle/meta.yml @@ -0,0 +1,64 @@ +name: spoqc_cellcycle +description: | + Run cell-cycle scoring QC on a SpatialData object. + + Unlike the other spoQC modules, this process has no `when:` guard and always executes when included. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - cell cycle +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/cellcycle/tests/main.nf.test b/modules/local/spoQC/cellcycle/tests/main.nf.test new file mode 100644 index 00000000..1f561ac5 --- /dev/null +++ b/modules/local/spoQC/cellcycle/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_CELLCYCLE" + script "../main.nf" + process "SPOQC_CELLCYCLE" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/cellcycle" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc cellcycle") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellcycleqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc cellcycle stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellcycleqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/cellcycle/tests/main.nf.test.snap b/modules/local/spoQC/cellcycle/tests/main.nf.test.snap new file mode 100644 index 00000000..54c03ad9 --- /dev/null +++ b/modules/local/spoQC/cellcycle/tests/main.nf.test.snap @@ -0,0 +1,72 @@ +{ + "spoqc cellcycle stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_CELLCYCLE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_CELLCYCLE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:45:43.268583283", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc cellcycle": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_CELLCYCLE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_CELLCYCLE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:45:02.827129321", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/cellcycle/tests/nextflow.config b/modules/local/spoQC/cellcycle/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/cellcycle/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/combine_masks/main.nf b/modules/local/spoQC/combine_masks/main.nf new file mode 100644 index 00000000..a0f8027f --- /dev/null +++ b/modules/local/spoQC/combine_masks/main.nf @@ -0,0 +1,57 @@ +process SPOQC_COMBINE_MASKS { + tag "${meta.id}_${staining}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*"), val(_stain_sd) + val(step) + tuple path(mask_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_raw.parquet"), val(_stain_hqcr) + tuple val(staining), path(mask_hqpr, stageAs: "spoQC_tmp/*") + tuple path(mask_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_raw"), val(_stain_hqtr) + tuple path(mask_smoothed_hqcr, stageAs: "spoQC_tmp/hqcr_output_mask_smoothed_raw.parquet"), val(_stain_smoothed_hqcr) + tuple val(_s), path(mask_smoothed_hqpr, stageAs: "spoQC_tmp/*") + tuple path(mask_smoothed_hqtr, stageAs: "spoQC_tmp/hqtr_output_mask_smoothed_raw"), val(_stain_smoothed_hqtr) + + output: + path("report/combine_masks/${staining}") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_COMBINE_MASKS module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + --staining ${staining} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_COMBINE_MASKS module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/combine_masks/${staining} + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/combine_masks/meta.yml b/modules/local/spoQC/combine_masks/meta.yml new file mode 100644 index 00000000..94afb3f6 --- /dev/null +++ b/modules/local/spoQC/combine_masks/meta.yml @@ -0,0 +1,111 @@ +name: spoqc_combine_masks +description: | + Combine the HQCR, HQPR and HQTR masks into a single per-staining QC report. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - mask combination +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - staining_idx_sd: + type: integer + description: Staining index carried alongside spatialdata to align the per-staining combined channel (Groovy var `_stain_sd`) + - - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - staining_idx_ann: + type: integer + description: Staining index carried alongside annotation to align the per-staining combined channel (Groovy var `_stain_ann`) + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - - mask_hqcr: + type: file + description: HQCR raw mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_raw.parquet" + - staining_idx_hqcr: + type: integer + description: Staining index carried alongside mask_hqcr to align the combined channel (Groovy var `_stain_hqcr`) + - - staining: + type: integer + description: Staining index + - mask_hqpr: + type: file + description: Per-staining raw HQPR mask from SPOQC_HQPR_CLUSTERING + pattern: "spoQC_tmp/*" + - - mask_hqtr: + type: file + description: HQTR raw mask from SPOQC_HQTR_CLUSTERING + pattern: "hqtr_output_mask_raw" + - staining_idx_hqtr: + type: integer + description: Staining index carried alongside mask_hqtr to align the combined channel (Groovy var `_stain_hqtr`) + - - mask_smoothed_hqcr: + type: file + description: Smoothed HQCR mask from SPOQC_HQCR_IDENT + pattern: "hqcr_output_mask_smoothed_raw.parquet" + - staining_idx_smoothed_hqcr: + type: integer + description: Staining index carried alongside mask_smoothed_hqcr to align the combined channel (Groovy var `_stain_smoothed_hqcr`) + - - staining_idx_smoothed_hqpr: + type: integer + description: Staining index carried alongside mask_smoothed_hqpr to align the combined channel (Groovy var `_s`) + - mask_smoothed_hqpr: + type: file + description: Per-staining smoothed HQPR mask from SPOQC_HQPR_REFINEMENT + pattern: "spoQC_tmp/*" + - - mask_smoothed_hqtr: + type: file + description: Smoothed HQTR mask from SPOQC_HQTR_REFINEMENT + pattern: "hqtr_output_mask_smoothed_raw" + - staining_idx_smoothed_hqtr: + type: integer + description: Staining index carried alongside mask_smoothed_hqtr to align the combined channel (Groovy var `_stain_smoothed_hqtr`) +output: + - report: + type: directory + description: HTML/plot QC report directory for this staining, tagged with the staining index + pattern: "report/combine_masks/${staining}" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/combine_masks/tests/main.nf.test b/modules/local/spoQC/combine_masks/tests/main.nf.test new file mode 100644 index 00000000..e091ae94 --- /dev/null +++ b/modules/local/spoQC/combine_masks/tests/main.nf.test @@ -0,0 +1,266 @@ +nextflow_process { + + name "Test Process SPOQC_COMBINE_MASKS" + script "../main.nf" + process "SPOQC_COMBINE_MASKS" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/combine_masks" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + run("SPOQC_HQCR_IDENT") { + script "modules/local/spoQC/hqcr_ident/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqcr_ident" + input[2] = SPOQC_GENERAL.out.tmp + input[3] = SPOQC_BUBBLE.out.tmp + input[4] = SPOQC_DOUBLET.out.tmp + input[5] = SPOQC_VOID.out.tmp + input[6] = SPOQC_CELL.out.tmp + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + run("SPOQC_HQTR_REFINEMENT") { + script "modules/local/spoQC/hqtr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + run("SPOQC_HQPR_REFINEMENT") { + script "modules/local/spoQC/hqpr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc combine_masks") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "combine_masks" + input[2] = SPOQC_HQCR_IDENT.out.mask.combine(channel.of(0)) + input[3] = SPOQC_HQPR_CLUSTERING.out.mask + input[4] = SPOQC_HQTR_CLUSTERING.out.mask.combine(channel.of(0)) + input[5] = SPOQC_HQCR_IDENT.out.mask_smoothed.combine(channel.of(0)) + input[6] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed + input[7] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed.combine(channel.of(0)) + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc combine_masks stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "combine_masks" + input[2] = SPOQC_HQCR_IDENT.out.mask.combine(channel.of(0)) + input[3] = SPOQC_HQPR_CLUSTERING.out.mask + input[4] = SPOQC_HQTR_CLUSTERING.out.mask.combine(channel.of(0)) + input[5] = SPOQC_HQCR_IDENT.out.mask_smoothed.combine(channel.of(0)) + input[6] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed + input[7] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed.combine(channel.of(0)) + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/combine_masks/tests/nextflow.config b/modules/local/spoQC/combine_masks/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/combine_masks/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/doublet/main.nf b/modules/local/spoQC/doublet/main.nf new file mode 100644 index 00000000..643576ca --- /dev/null +++ b/modules/local/spoQC/doublet/main.nf @@ -0,0 +1,56 @@ + +process SPOQC_DOUBLET { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + + output: + path("./report/doubletqc") , emit: report + path("./spoQC_tmp/doubletqc_output_hqcr.parquet") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_DOUBLET module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_DOUBLET module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/doubletqc + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/doubletqc_output_hqcr.parquet + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/doublet/meta.yml b/modules/local/spoQC/doublet/meta.yml new file mode 100644 index 00000000..9cc45373 --- /dev/null +++ b/modules/local/spoQC/doublet/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_doublet +description: | + Run doublet-detection QC checks on a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - doublet detection +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: | + Per-cell doublet QC parquet output, consumed by the HQCR identification/cell-type and downstream analysis steps. + pattern: "doubletqc_output_hqcr.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/doublet/tests/main.nf.test b/modules/local/spoQC/doublet/tests/main.nf.test new file mode 100644 index 00000000..4d584d0c --- /dev/null +++ b/modules/local/spoQC/doublet/tests/main.nf.test @@ -0,0 +1,91 @@ +nextflow_process { + + name "Test Process SPOQC_DOUBLET" + script "../main.nf" + process "SPOQC_DOUBLET" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/doublet" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + } + + test("spoqc doublet") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc doublet stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/doublet/tests/main.nf.test.snap b/modules/local/spoQC/doublet/tests/main.nf.test.snap new file mode 100644 index 00000000..139d2aa0 --- /dev/null +++ b/modules/local/spoQC/doublet/tests/main.nf.test.snap @@ -0,0 +1,102 @@ +{ + "spoqc doublet": { + "content": [ + { + "0": [ + [ + "histogram_signal_integrity_and_signal.pdf:md5,6559ce14b990225f5922fb9e12f9f763", + "histogram_signal_integrity_and_signal.png:md5,e3910e8ad018f84517c536c31a963b47", + "scatter_signal_integrity.pdf:md5,273a0a06d81614bdaec293dfd7efe0de", + "scatter_signal_integrity.png:md5,5a1164c9ce0cf2fb0121cbd9445b1dfa", + "scatter_signal_integrity_3d.pdf:md5,682d24e248ea531b70c131f4eeb1d1ef", + "scatter_signal_integrity_3d.png:md5,cfeab061e5c90d35596d3f44fba9665b", + "scatterplot_densityplot_doublet.pdf:md5,f516ee342c5f9b4edccb3096551c2e60", + "scatterplot_densityplot_doublet.png:md5,ea4fbd0b808e379ec6528b6f7f385739", + "spatial_signal_integrity_map.pdf:md5,283cba88e75965279c8aaeb10e9dab5c", + "spatial_signal_integrity_map.png:md5,9ae321e929bef122826cdea62efe1e9f" + ] + ], + "1": [ + "doubletqc_output_hqcr.parquet:md5,8edf4c6a571f94ad70f3d5107a6df2fe" + ], + "2": [ + [ + "SPOQC_DOUBLET", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + "histogram_signal_integrity_and_signal.pdf:md5,6559ce14b990225f5922fb9e12f9f763", + "histogram_signal_integrity_and_signal.png:md5,e3910e8ad018f84517c536c31a963b47", + "scatter_signal_integrity.pdf:md5,273a0a06d81614bdaec293dfd7efe0de", + "scatter_signal_integrity.png:md5,5a1164c9ce0cf2fb0121cbd9445b1dfa", + "scatter_signal_integrity_3d.pdf:md5,682d24e248ea531b70c131f4eeb1d1ef", + "scatter_signal_integrity_3d.png:md5,cfeab061e5c90d35596d3f44fba9665b", + "scatterplot_densityplot_doublet.pdf:md5,f516ee342c5f9b4edccb3096551c2e60", + "scatterplot_densityplot_doublet.png:md5,ea4fbd0b808e379ec6528b6f7f385739", + "spatial_signal_integrity_map.pdf:md5,283cba88e75965279c8aaeb10e9dab5c", + "spatial_signal_integrity_map.png:md5,9ae321e929bef122826cdea62efe1e9f" + ] + ], + "tmp": [ + "doubletqc_output_hqcr.parquet:md5,8edf4c6a571f94ad70f3d5107a6df2fe" + ], + "versions_spoqc": [ + [ + "SPOQC_DOUBLET", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:53:45.958187759", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc doublet stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + "doubletqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + [ + "SPOQC_DOUBLET", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "tmp": [ + "doubletqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_DOUBLET", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:54:44.455866279", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/doublet/tests/nextflow.config b/modules/local/spoQC/doublet/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/doublet/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/general/main.nf b/modules/local/spoQC/general/main.nf new file mode 100644 index 00000000..ff0ea892 --- /dev/null +++ b/modules/local/spoQC/general/main.nf @@ -0,0 +1,57 @@ + +process SPOQC_GENERAL { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + + output: + path("./report/generalqc") , emit: report + path("./spoQC_tmp/generalqc_output_hqcr.parquet") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_GENERAL module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_GENERAL module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/generalqc + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/generalqc_output_hqcr.parquet + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/general/meta.yml b/modules/local/spoQC/general/meta.yml new file mode 100644 index 00000000..1af717a3 --- /dev/null +++ b/modules/local/spoQC/general/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_general +description: | + Run general-purpose QC checks on a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - general qc +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: | + Per-cell general QC parquet output, consumed by the HQCR identification/cell-type and downstream analysis steps. + pattern: "generalqc_output_hqcr.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/general/tests/main.nf.test b/modules/local/spoQC/general/tests/main.nf.test new file mode 100644 index 00000000..0b2b2c7e --- /dev/null +++ b/modules/local/spoQC/general/tests/main.nf.test @@ -0,0 +1,91 @@ +nextflow_process { + + name "Test Process SPOQC_GENERAL" + script "../main.nf" + process "SPOQC_GENERAL" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/general" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + } + + test("spoqc general") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc general stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git 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[ + + ] + ], + "tmp": [ + "generalqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_GENERAL", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T14:58:18.170026992", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/general/tests/nextflow.config b/modules/local/spoQC/general/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/general/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqcr_celltype/main.nf b/modules/local/spoQC/hqcr_celltype/main.nf new file mode 100644 index 00000000..dcaf1406 --- /dev/null +++ b/modules/local/spoQC/hqcr_celltype/main.nf @@ -0,0 +1,62 @@ + +process SPOQC_HQCR_CELLTYPE { + tag "$meta.id" + label 'process_high' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + path(tmp_general, stageAs: "./spoQC_tmp/generalqc_output_hqcr.parquet") + path(tmp_bubble, stageAs: "./spoQC_tmp/bubbleqc_output_hqcr.parquet") + path(tmp_doublet, stageAs: "./spoQC_tmp/doubletqc_output_hqcr.parquet") + path(tmp_void, stageAs: "./spoQC_tmp/voidqc_output_hqcr.parquet") + path(tmp_cell, stageAs: "./spoQC_tmp/cellqc_output_hqcr.parquet") + + output: + path("./report/hqcr/hqcr_celltype") , emit: report + path("./spoQC_tmp/hqcr_output_mask_smoothed_celltype_refined.parquet") , emit: mask + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQCR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQCR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/hqcr/hqcr_celltype + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/hqcr_output_mask_smoothed_celltype_refined.parquet + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqcr_celltype/meta.yml b/modules/local/spoQC/hqcr_celltype/meta.yml new file mode 100644 index 00000000..b7669eab --- /dev/null +++ b/modules/local/spoQC/hqcr_celltype/meta.yml @@ -0,0 +1,87 @@ +name: spoqc_hqcr_celltype +description: | + Refine the high-quality cell region (HQCR) mask using cell-type information, combining the general/bubble/doublet/void/cell QC outputs. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqcr + - cell type refinement +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - tmp_general: + type: file + description: General QC parquet output from SPOQC_GENERAL + pattern: "generalqc_output_hqcr.parquet" + - tmp_bubble: + type: file + description: Bubble QC parquet output from SPOQC_BUBBLE + pattern: "bubbleqc_output_hqcr.parquet" + - tmp_doublet: + type: file + description: Doublet QC parquet output from SPOQC_DOUBLET + pattern: "doubletqc_output_hqcr.parquet" + - tmp_void: + type: file + description: Void QC parquet output from SPOQC_VOID + pattern: "voidqc_output_hqcr.parquet" + - tmp_cell: + type: file + description: Cell QC parquet output from SPOQC_CELL + pattern: "cellqc_output_hqcr.parquet" +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - mask: + type: file + description: Cell-type-refined, smoothed HQCR mask + pattern: "hqcr_output_mask_smoothed_celltype_refined.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqcr_celltype/tests/main.nf.test b/modules/local/spoQC/hqcr_celltype/tests/main.nf.test new file mode 100644 index 00000000..acc889ac --- /dev/null +++ b/modules/local/spoQC/hqcr_celltype/tests/main.nf.test @@ -0,0 +1,153 @@ +nextflow_process { + + name "Test Process SPOQC_HQCR_CELLTYPE" + script "../main.nf" + process "SPOQC_HQCR_CELLTYPE" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqcr_celltype" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + } + + test("spoqc hqcr_celltype") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "hqcr_celltype" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqcr_celltype stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "hqcr_celltype" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqcr_celltype/tests/main.nf.test.snap 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a/modules/local/spoQC/hqcr_celltype/tests/nextflow.config b/modules/local/spoQC/hqcr_celltype/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqcr_celltype/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqcr_ident/main.nf b/modules/local/spoQC/hqcr_ident/main.nf new file mode 100644 index 00000000..07687322 --- /dev/null +++ b/modules/local/spoQC/hqcr_ident/main.nf @@ -0,0 +1,60 @@ + +process SPOQC_HQCR_IDENT { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + path(tmp_general, stageAs: "./spoQC_tmp/generalqc_output_hqcr.parquet") + path(tmp_bubble, stageAs: "./spoQC_tmp/bubbleqc_output_hqcr.parquet") + path(tmp_doublet, stageAs: "./spoQC_tmp/doubletqc_output_hqcr.parquet") + path(tmp_void, stageAs: "./spoQC_tmp/voidqc_output_hqcr.parquet") + path(tmp_cell, stageAs: "./spoQC_tmp/cellqc_output_hqcr.parquet") + + output: + path("./report/hqcr/hqcr_ident") , emit: report + path("./spoQC_tmp/hqcr_output_mask_raw.parquet") , emit: mask + path("./spoQC_tmp/hqcr_output_mask_smoothed_raw.parquet") , emit: mask_smoothed + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQCR_IDENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQCR_IDENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/hqcr/hqcr_ident + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/hqcr_output_mask_raw.parquet + touch ./spoQC_tmp/hqcr_output_mask_smoothed_raw.parquet + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqcr_ident/meta.yml b/modules/local/spoQC/hqcr_ident/meta.yml new file mode 100644 index 00000000..ad2178c3 --- /dev/null +++ b/modules/local/spoQC/hqcr_ident/meta.yml @@ -0,0 +1,91 @@ +name: spoqc_hqcr_ident +description: | + Identify high-quality cell regions (HQCR) by combining the general/bubble/doublet/void/cell QC outputs into a smoothed mask. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqcr + - high quality cell region +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - tmp_general: + type: file + description: General QC parquet output from SPOQC_GENERAL + pattern: "generalqc_output_hqcr.parquet" + - tmp_bubble: + type: file + description: Bubble QC parquet output from SPOQC_BUBBLE + pattern: "bubbleqc_output_hqcr.parquet" + - tmp_doublet: + type: file + description: Doublet QC parquet output from SPOQC_DOUBLET + pattern: "doubletqc_output_hqcr.parquet" + - tmp_void: + type: file + description: Void QC parquet output from SPOQC_VOID + pattern: "voidqc_output_hqcr.parquet" + - tmp_cell: + type: file + description: Cell QC parquet output from SPOQC_CELL + pattern: "cellqc_output_hqcr.parquet" +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - mask: + type: file + description: Raw HQCR mask + pattern: "hqcr_output_mask_raw.parquet" + - mask_smoothed: + type: file + description: Smoothed HQCR mask + pattern: "hqcr_output_mask_smoothed_raw.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqcr_ident/tests/main.nf.test b/modules/local/spoQC/hqcr_ident/tests/main.nf.test new file mode 100644 index 00000000..1653ac10 --- /dev/null +++ b/modules/local/spoQC/hqcr_ident/tests/main.nf.test @@ -0,0 +1,151 @@ +nextflow_process { + + name "Test Process SPOQC_HQCR_IDENT" + script "../main.nf" + process "SPOQC_HQCR_IDENT" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqcr_ident" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + } + + test("spoqc hqcr_ident") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqcr_ident" + input[2] = SPOQC_GENERAL.out.tmp + input[3] = SPOQC_BUBBLE.out.tmp + input[4] = SPOQC_DOUBLET.out.tmp + input[5] = SPOQC_VOID.out.tmp + input[6] = SPOQC_CELL.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqcr_ident stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqcr_ident" + input[2] = SPOQC_GENERAL.out.tmp + input[3] = SPOQC_BUBBLE.out.tmp + input[4] = SPOQC_DOUBLET.out.tmp + input[5] = SPOQC_VOID.out.tmp + input[6] = SPOQC_CELL.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqcr_ident/tests/main.nf.test.snap b/modules/local/spoQC/hqcr_ident/tests/main.nf.test.snap 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"violinplot_n_genes_by_counts.png:md5,e7d328e884380f2a827b0dc320831abb", + "violinplot_nuceli_count.pdf:md5,61a19694e3edf179503808c54e1edec3", + "violinplot_nuceli_count.png:md5,95f8e142e9ed789ae446dbb2ac029f4d", + "violinplot_num_low_qc_transcript.pdf:md5,84181f844ae32d4a4bed82be6e28b168", + "violinplot_num_low_qc_transcript.png:md5,b0087786b4d98b3ee547f57eac90213e", + "violinplot_thinness_score.pdf:md5,71ab2589323208b28c192d2df0caf8cd", + "violinplot_thinness_score.png:md5,efd47e3ac3759093c46ac980a38ef72b" + ] + ], + "versions_spoqc": [ + [ + "SPOQC_HQCR_IDENT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T15:14:38.024021949", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc hqcr_ident stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + "hqcr_output_mask_raw.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + "hqcr_output_mask_smoothed_raw.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "3": [ + [ + "SPOQC_HQCR_IDENT", + "spoqc", + "0.1.0" + ] + ], + "mask": [ + "hqcr_output_mask_raw.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "mask_smoothed": [ + "hqcr_output_mask_smoothed_raw.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_HQCR_IDENT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T15:17:28.022294871", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/hqcr_ident/tests/nextflow.config b/modules/local/spoQC/hqcr_ident/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqcr_ident/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_bounding_box/main.nf b/modules/local/spoQC/hqpr_bounding_box/main.nf new file mode 100644 index 00000000..eedc5154 --- /dev/null +++ b/modules/local/spoQC/hqpr_bounding_box/main.nf @@ -0,0 +1,53 @@ + +process SPOQC_HQPR_BOUNDING_BOX { + tag "${meta.id}_${staining}" + label 'process_medium' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*"), val(_stain_sd) + val(step) + tuple val(staining), path(mask, stageAs: "spoQC_tmp/*") + + output: + tuple val(staining), path("report/hqpr/${staining}/hqpr_bounding_box") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_BOUNDING_BOX module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + --staining ${staining} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_BOUNDING_BOX module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/hqpr/${staining}/hqpr_bounding_box + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_bounding_box/meta.yml b/modules/local/spoQC/hqpr_bounding_box/meta.yml new file mode 100644 index 00000000..1d0b1651 --- /dev/null +++ b/modules/local/spoQC/hqpr_bounding_box/meta.yml @@ -0,0 +1,80 @@ +name: spoqc_hqpr_bounding_box +description: | + Generate a per-staining high-quality pixel region (HQPR) bounding-box QC report. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqpr + - bounding box +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - staining_idx_sd: + type: integer + description: Staining index carried alongside spatialdata to align the per-staining combined channel (Groovy var `_stain_sd`) + - - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - staining_idx_ann: + type: integer + description: Staining index carried alongside annotation to align the per-staining combined channel (Groovy var `_stain_ann`) + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - - staining: + type: integer + description: Staining index + - mask: + type: file + description: Per-staining smoothed HQPR mask from SPOQC_HQPR_REFINEMENT + pattern: "spoQC_tmp/*" +output: + - - staining: + type: integer + description: Staining index + - report: + type: directory + description: HTML/plot QC report directory for this staining, tagged with the staining index + pattern: "report/hqpr/${staining}/hqpr_bounding_box" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test b/modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test new file mode 100644 index 00000000..fcbaa0df --- /dev/null +++ b/modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test @@ -0,0 +1,113 @@ +nextflow_process { + + name "Test Process SPOQC_HQPR_BOUNDING_BOX" + script "../main.nf" + process "SPOQC_HQPR_BOUNDING_BOX" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqpr_bounding_box" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + run("SPOQC_HQPR_REFINEMENT") { + script "modules/local/spoQC/hqpr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc hqpr_bounding_box") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_bounding_box" + input[2] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqpr_bounding_box stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_bounding_box" + input[2] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test.snap b/modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test.snap new file mode 100644 index 00000000..aef47453 --- /dev/null +++ b/modules/local/spoQC/hqpr_bounding_box/tests/main.nf.test.snap @@ -0,0 +1,116 @@ +{ + "spoqc hqpr_bounding_box stub": { + "content": [ + { + "0": [ + [ + 0, + [ + + ] + ] + ], + "1": [ + [ + "SPOQC_HQPR_BOUNDING_BOX", + "spoqc", + "unknown" + ] + ], + "report": [ + [ + 0, + [ + + ] + ] + ], + "versions_spoqc": [ + [ + "SPOQC_HQPR_BOUNDING_BOX", + "spoqc", + "unknown" + ] + ] + } + ], + "timestamp": "2026-07-17T16:48:34.530322315", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc hqpr_bounding_box": { + "content": [ + { + "0": [ + [ + 0, + [ + "hqprs_0.txt:md5,73dcf8d2b59444f8cc0dfa589602e7e0", + "imageplot_dilated_image_for_bounding_box.pdf:md5,0f21e699839bd0fce62388b3e053e172", + "imageplot_dilated_image_for_bounding_box.png:md5,c9776dfde7eca1e4332862a90540f234", + "imageplot_marked_merged_subfigures.pdf:md5,6020ba4d92c818896d693d2f72dc4177", + "imageplot_marked_merged_subfigures.png:md5,ab5d22a7c88f62e359531281eea83877", + "imageplot_marked_subfigures.pdf:md5,75cd01109e9246864434d1fc3d3d7015", + "imageplot_marked_subfigures.png:md5,ab5d22a7c88f62e359531281eea83877", + [ + "imageplot_subfigure1.pdf:md5,c13a996e58c875f21c37c5a795161530", + "imageplot_subfigure1.png:md5,20c867db55e8a89018ab80de34bacffc", + "imageplot_subfigure2.pdf:md5,8856090db2716dc6cc6b9be1cc0b6de9", + "imageplot_subfigure2.png:md5,e4794a3477d71fe8836c40e912592d4f", + "imageplot_subfigure3.pdf:md5,6e52376aba231a571ced16ff2b124c82", + "imageplot_subfigure3.png:md5,82833ec53a56ded4c1a292906df44d5c", + "imageplot_subfigure4.pdf:md5,c56feeb5e8d35baa003341504eee2354", + "imageplot_subfigure4.png:md5,87088d4efd51da9e7c7823744ebdb7c0" + ] + ] + ] + ], + "1": [ + [ + "SPOQC_HQPR_BOUNDING_BOX", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + 0, + [ + "hqprs_0.txt:md5,73dcf8d2b59444f8cc0dfa589602e7e0", + "imageplot_dilated_image_for_bounding_box.pdf:md5,0f21e699839bd0fce62388b3e053e172", + "imageplot_dilated_image_for_bounding_box.png:md5,c9776dfde7eca1e4332862a90540f234", + "imageplot_marked_merged_subfigures.pdf:md5,6020ba4d92c818896d693d2f72dc4177", + "imageplot_marked_merged_subfigures.png:md5,ab5d22a7c88f62e359531281eea83877", + "imageplot_marked_subfigures.pdf:md5,75cd01109e9246864434d1fc3d3d7015", + "imageplot_marked_subfigures.png:md5,ab5d22a7c88f62e359531281eea83877", + [ + "imageplot_subfigure1.pdf:md5,c13a996e58c875f21c37c5a795161530", + "imageplot_subfigure1.png:md5,20c867db55e8a89018ab80de34bacffc", + "imageplot_subfigure2.pdf:md5,8856090db2716dc6cc6b9be1cc0b6de9", + "imageplot_subfigure2.png:md5,e4794a3477d71fe8836c40e912592d4f", + "imageplot_subfigure3.pdf:md5,6e52376aba231a571ced16ff2b124c82", + "imageplot_subfigure3.png:md5,82833ec53a56ded4c1a292906df44d5c", + "imageplot_subfigure4.pdf:md5,c56feeb5e8d35baa003341504eee2354", + "imageplot_subfigure4.png:md5,87088d4efd51da9e7c7823744ebdb7c0" + ] + ] + ] + ], + "versions_spoqc": [ + [ + "SPOQC_HQPR_BOUNDING_BOX", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T16:48:00.755084324", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config b/modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_celltype/main.nf b/modules/local/spoQC/hqpr_celltype/main.nf new file mode 100644 index 00000000..887edecf --- /dev/null +++ b/modules/local/spoQC/hqpr_celltype/main.nf @@ -0,0 +1,61 @@ + +process SPOQC_HQPR_CELLTYPE { + tag "${meta.id}_${staining}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*"), val(_stain_sd) + tuple path(annotation, stageAs: "*"), val(_stain_ann) + val(step) + tuple path(tmp_general, stageAs: "./spoQC_tmp/generalqc_output_hqcr.parquet"), val(_stain_g) + tuple path(tmp_bubble, stageAs: "./spoQC_tmp/bubbleqc_output_hqcr.parquet"), val(_stain_b) + tuple path(tmp_doublet, stageAs: "./spoQC_tmp/doubletqc_output_hqcr.parquet"), val(_stain_d) + tuple path(tmp_void, stageAs: "./spoQC_tmp/voidqc_output_hqcr.parquet"), val(_stain_v) + tuple path(tmp_cell, stageAs: "./spoQC_tmp/cellqc_output_hqcr.parquet"), val(_stain_c) + tuple val(staining), path(mask, stageAs: "spoQC_tmp/*"), path(mask_smoothed, stageAs: "spoQC_tmp/*") + + output: + path("report/hqpr/${staining}/hqpr_celltype") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + --staining ${staining} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/hqpr/${staining}/hqpr_celltype + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_celltype/meta.yml b/modules/local/spoQC/hqpr_celltype/meta.yml new file mode 100644 index 00000000..604d0e70 --- /dev/null +++ b/modules/local/spoQC/hqpr_celltype/meta.yml @@ -0,0 +1,113 @@ +name: spoqc_hqpr_celltype +description: | + Run per-staining high-quality pixel region (HQPR) cell-type QC, combining the general/bubble/doublet/void/cell QC outputs with the HQPR probability and mask. + + Currently not wired into the `SPOQC` subworkflow (the call is commented out in `subworkflows/local/spoqc/main.nf`). +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqpr + - cell type +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - staining_idx_sd: + type: integer + description: Staining index carried alongside spatialdata to align the per-staining combined channel (Groovy var `_stain_sd`) + - - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - staining_idx_ann: + type: integer + description: Staining index carried alongside annotation to align the per-staining combined channel (Groovy var `_stain_ann`) + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - - tmp_general: + type: file + description: General QC parquet output from SPOQC_GENERAL, tagged with the staining index + - staining_idx_g: + type: integer + description: Staining index carried alongside tmp_general to align the per-staining combined channel (Groovy var `_stain_g`) + - - tmp_bubble: + type: file + description: Bubble QC parquet output from SPOQC_BUBBLE, tagged with the staining index + - staining_idx_b: + type: integer + description: Staining index carried alongside tmp_bubble to align the per-staining combined channel (Groovy var `_stain_b`) + - - tmp_doublet: + type: file + description: Doublet QC parquet output from SPOQC_DOUBLET, tagged with the staining index + - staining_idx_d: + type: integer + description: Staining index carried alongside tmp_doublet to align the per-staining combined channel (Groovy var `_stain_d`) + - - tmp_void: + type: file + description: Void QC parquet output from SPOQC_VOID, tagged with the staining index + - staining_idx_v: + type: integer + description: Staining index carried alongside tmp_void to align the per-staining combined channel (Groovy var `_stain_v`) + - - tmp_cell: + type: file + description: Cell QC parquet output from SPOQC_CELL, tagged with the staining index + - staining_idx_c: + type: integer + description: Staining index carried alongside tmp_cell to align the per-staining combined channel (Groovy var `_stain_c`) + - - staining: + type: integer + description: Staining index + - mask: + type: file + description: Per-staining HQPR raw probability mask from SPOQC_HQPR_CLUSTERING + pattern: "spoQC_tmp/*" + - mask_smoothed: + type: file + description: Per-staining smoothed HQPR mask from SPOQC_HQPR_REFINEMENT + pattern: "spoQC_tmp/*" +output: + - report: + type: directory + description: HTML/plot QC report directory for this staining, tagged with the staining index + pattern: "report/hqpr/${staining}/hqpr_celltype" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqpr_celltype/tests/main.nf.test b/modules/local/spoQC/hqpr_celltype/tests/main.nf.test new file mode 100644 index 00000000..d905b0bf --- /dev/null +++ b/modules/local/spoQC/hqpr_celltype/tests/main.nf.test @@ -0,0 +1,188 @@ +nextflow_process { + + name "Test Process SPOQC_HQPR_CELLTYPE" + script "../main.nf" + process "SPOQC_HQPR_CELLTYPE" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqpr_celltype" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + run("SPOQC_HQPR_REFINEMENT") { + script "modules/local/spoQC/hqpr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc hqpr_celltype") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = SPOQC_ANNOTATION.out.annotation.combine(channel.of(0)) + input[2] = "hqpr_celltype" + input[3] = SPOQC_GENERAL.out.tmp.combine(channel.of(0)) + input[4] = SPOQC_BUBBLE.out.tmp.combine(channel.of(0)) + input[5] = SPOQC_DOUBLET.out.tmp.combine(channel.of(0)) + input[6] = SPOQC_VOID.out.tmp.combine(channel.of(0)) + input[7] = SPOQC_CELL.out.tmp.combine(channel.of(0)) + input[8] = SPOQC_HQPR_CLUSTERING.out.mask.join(SPOQC_HQPR_REFINEMENT.out.mask_smoothed) + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqpr_celltype stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = SPOQC_ANNOTATION.out.annotation.combine(channel.of(0)) + input[2] = "hqpr_celltype" + input[3] = SPOQC_GENERAL.out.tmp.combine(channel.of(0)) + input[4] = SPOQC_BUBBLE.out.tmp.combine(channel.of(0)) + input[5] = SPOQC_DOUBLET.out.tmp.combine(channel.of(0)) + input[6] = SPOQC_VOID.out.tmp.combine(channel.of(0)) + input[7] = SPOQC_CELL.out.tmp.combine(channel.of(0)) + input[8] = SPOQC_HQPR_CLUSTERING.out.mask.join(SPOQC_HQPR_REFINEMENT.out.mask_smoothed) + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqpr_celltype/tests/main.nf.test.snap b/modules/local/spoQC/hqpr_celltype/tests/main.nf.test.snap new file mode 100644 index 00000000..b9adefbc --- /dev/null +++ b/modules/local/spoQC/hqpr_celltype/tests/main.nf.test.snap @@ -0,0 +1,112 @@ +{ + "spoqc hqpr_celltype": { + "content": [ + { + "0": [ + [ + "barplot_celltypes_hqpr.pdf:md5,e96eb7048eef6b51851fb7a9fbb07277", + "barplot_celltypes_hqpr.png:md5,b8e080ef68353c30a192af62b57d7a48", + "barplot_celltypes_pct_hqpr.pdf:md5,3122a90abba38481522c9b47abe13176", + "barplot_celltypes_pct_hqpr.png:md5,acbd2d0472f3ca9d84926bdd77c4942b", + "celltype_qc_analysis.html:md5,3a4c9fa38a206c836fb83d8da5166bd5", + "imageplot_intensity_check_rotation.pdf:md5,9a27d597a5b84ff9bee7175598ff65f5", + "imageplot_intensity_check_rotation.png:md5,4aaefb6009ccbf5eb83592332b077dfb", + "scatterplot_hqpr_0_class.pdf:md5,2730270f5aae71d83887812f1622b3c0", + "scatterplot_hqpr_0_class.png:md5,924bdce2640f4fb67c2f298b3acd24dd", + "split_violinplot_as_score_cell.pdf:md5,6772d7a892878d36038dac94ae16d78a", + "split_violinplot_as_score_cell.png:md5,5dbd910d8829844c4ecc5c4bf9026dc6", + "split_violinplot_as_score_nucleus.pdf:md5,489afcb8bd7d65d04dc9f4ee201eb55b", + "split_violinplot_as_score_nucleus.png:md5,05570038bc672dfc42354f02db3b8b58", + "split_violinplot_intensity_cell.pdf:md5,ab86abb5aeb4b4f1ef35a2103ebb4479", + "split_violinplot_intensity_cell.png:md5,74ce48f712e032fb36309e36861e67aa", + "split_violinplot_intensity_nucleus.pdf:md5,ee21d26e0ae54eebe231e4efad9e8ca5", + "split_violinplot_intensity_nucleus.png:md5,32ebec8c360ead344ef1204cd27b7961", + "split_violinplot_s_score_cell.pdf:md5,86eaf7446225e391bf2d4f37b4c52e6a", + "split_violinplot_s_score_cell.png:md5,5479d333d5fe4b85bc9e7c1bee7d8de8", + "split_violinplot_s_score_nucleus.pdf:md5,7275bff51c76b8934176cf30085cebea", + "split_violinplot_s_score_nucleus.png:md5,57ecd5e81e54b3324064f384dd23e1a5" + ] + ], + "1": [ + [ + "SPOQC_HQPR_CELLTYPE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + "barplot_celltypes_hqpr.pdf:md5,e96eb7048eef6b51851fb7a9fbb07277", + "barplot_celltypes_hqpr.png:md5,b8e080ef68353c30a192af62b57d7a48", + "barplot_celltypes_pct_hqpr.pdf:md5,3122a90abba38481522c9b47abe13176", + "barplot_celltypes_pct_hqpr.png:md5,acbd2d0472f3ca9d84926bdd77c4942b", + "celltype_qc_analysis.html:md5,3a4c9fa38a206c836fb83d8da5166bd5", + "imageplot_intensity_check_rotation.pdf:md5,9a27d597a5b84ff9bee7175598ff65f5", + "imageplot_intensity_check_rotation.png:md5,4aaefb6009ccbf5eb83592332b077dfb", + "scatterplot_hqpr_0_class.pdf:md5,2730270f5aae71d83887812f1622b3c0", + "scatterplot_hqpr_0_class.png:md5,924bdce2640f4fb67c2f298b3acd24dd", + "split_violinplot_as_score_cell.pdf:md5,6772d7a892878d36038dac94ae16d78a", + "split_violinplot_as_score_cell.png:md5,5dbd910d8829844c4ecc5c4bf9026dc6", + "split_violinplot_as_score_nucleus.pdf:md5,489afcb8bd7d65d04dc9f4ee201eb55b", + "split_violinplot_as_score_nucleus.png:md5,05570038bc672dfc42354f02db3b8b58", + "split_violinplot_intensity_cell.pdf:md5,ab86abb5aeb4b4f1ef35a2103ebb4479", + "split_violinplot_intensity_cell.png:md5,74ce48f712e032fb36309e36861e67aa", + "split_violinplot_intensity_nucleus.pdf:md5,ee21d26e0ae54eebe231e4efad9e8ca5", + "split_violinplot_intensity_nucleus.png:md5,32ebec8c360ead344ef1204cd27b7961", + "split_violinplot_s_score_cell.pdf:md5,86eaf7446225e391bf2d4f37b4c52e6a", + "split_violinplot_s_score_cell.png:md5,5479d333d5fe4b85bc9e7c1bee7d8de8", + "split_violinplot_s_score_nucleus.pdf:md5,7275bff51c76b8934176cf30085cebea", + "split_violinplot_s_score_nucleus.png:md5,57ecd5e81e54b3324064f384dd23e1a5" + ] + ], + "versions_spoqc": [ + [ + "SPOQC_HQPR_CELLTYPE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T16:23:07.513681351", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc hqpr_celltype stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_HQPR_CELLTYPE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_HQPR_CELLTYPE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T16:27:53.998826573", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_celltype/tests/nextflow.config b/modules/local/spoQC/hqpr_celltype/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqpr_celltype/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_clustering/main.nf b/modules/local/spoQC/hqpr_clustering/main.nf new file mode 100644 index 00000000..5d975aaf --- /dev/null +++ b/modules/local/spoQC/hqpr_clustering/main.nf @@ -0,0 +1,55 @@ + +process SPOQC_HQPR_CLUSTERING { + tag "${meta.id}_${staining}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*"), val(_stain_sd) + val(step) + tuple val(staining), path(metrices, stageAs: "spoQC_tmp/metrices/hqpr/*") + + output: + tuple val(staining), path("report/hqpr/${staining}/hqpr_clustering") , emit: report + tuple val(staining), path("spoQC_tmp/hqpr_${staining}_output_mask_raw") , emit: mask + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_CLUSTERING module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + --staining ${staining} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_CLUSTERING module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/hqpr/${staining}/hqpr_clustering + mkdir -p spoQC_tmp/hqpr_${staining}_output_mask_raw + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_clustering/meta.yml b/modules/local/spoQC/hqpr_clustering/meta.yml new file mode 100644 index 00000000..9c8509f5 --- /dev/null +++ b/modules/local/spoQC/hqpr_clustering/meta.yml @@ -0,0 +1,87 @@ +name: spoqc_hqpr_clustering +description: | + Cluster per-staining high-quality pixel region (HQPR) metrics into a probability mask. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqpr + - clustering +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - staining_idx_sd: + type: integer + description: Staining index carried alongside spatialdata to align the per-staining combined channel (Groovy var `_stain_sd`) + - - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - staining_idx_ann: + type: integer + description: Staining index carried alongside annotation to align the per-staining combined channel (Groovy var `_stain_ann`) + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - - staining: + type: integer + description: Staining index + - metrices: + type: directory + description: Per-staining HQPR metrics directory from SPOQC_HQPR_METRICES + pattern: "spoQC_tmp/metrices/hqpr/*" +output: + - - staining: + type: integer + description: Staining index + - report: + type: directory + description: HTML/plot QC report directory for this staining, tagged with the staining index + pattern: "report/hqpr/${staining}/hqpr_clustering" + - - staining: + type: integer + description: Staining index + - mask: + type: file + description: Per-staining HQPR raw probability mask + pattern: "spoQC_tmp/hqpr_${staining}_output_mask_raw" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqpr_clustering/tests/main.nf.test b/modules/local/spoQC/hqpr_clustering/tests/main.nf.test new file mode 100644 index 00000000..8a70bc09 --- /dev/null +++ b/modules/local/spoQC/hqpr_clustering/tests/main.nf.test @@ -0,0 +1,91 @@ +nextflow_process { + + name "Test Process SPOQC_HQPR_CLUSTERING" + script "../main.nf" + process "SPOQC_HQPR_CLUSTERING" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqpr_clustering" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + } + + test("spoqc hqpr_clustering") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqpr_clustering stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqpr_clustering/tests/main.nf.test.snap b/modules/local/spoQC/hqpr_clustering/tests/main.nf.test.snap new file mode 100644 index 00000000..dd3186ce --- /dev/null +++ b/modules/local/spoQC/hqpr_clustering/tests/main.nf.test.snap @@ -0,0 +1,4202 @@ +{ + "spoqc hqpr_clustering stub": { + "content": [ + { + "0": [ + [ + 0, + [ + + ] + ] + ], + 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] + ] + ], + "versions_spoqc": [ + [ + "SPOQC_HQPR_CLUSTERING", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T15:46:15.452518012", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_clustering/tests/nextflow.config b/modules/local/spoQC/hqpr_clustering/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqpr_clustering/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_metrices/main.nf b/modules/local/spoQC/hqpr_metrices/main.nf new file mode 100644 index 00000000..2602aecb --- /dev/null +++ b/modules/local/spoQC/hqpr_metrices/main.nf @@ -0,0 +1,58 @@ + +process SPOQC_HQPR_METRICES { + tag "${meta.id}_${staining}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + each staining + val(step) + + output: + tuple val(staining), path("report/hqpr/${staining}/hqpr_metrices") , emit: report + tuple val(staining), path("spoQC_tmp/metrices/hqpr/${staining}") , emit: metrices + path("report/staining_log.txt") , emit: staininglog + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_METRICES module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + --staining ${staining} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_METRICES module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/hqpr/${staining}/hqpr_metrices + mkdir -p spoQC_tmp/metrices/hqpr/${staining} + mkdir -p report + touch report/staining_log.txt + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_metrices/meta.yml b/modules/local/spoQC/hqpr_metrices/meta.yml new file mode 100644 index 00000000..686a30b2 --- /dev/null +++ b/modules/local/spoQC/hqpr_metrices/meta.yml @@ -0,0 +1,81 @@ +name: spoqc_hqpr_metrices +description: | + Compute per-staining high-quality pixel region (HQPR) metrics for a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqpr + - high quality pixel region +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - staining: + type: integer + description: Staining index to compute metrics for (iterated via Nextflow `each`) + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - - staining: + type: integer + description: Staining index + - report: + type: directory + description: HTML/plot QC report directory for this staining, tagged with the staining index + pattern: "report/hqpr/${staining}/hqpr_metrices" + - - staining: + type: integer + description: Staining index + - metrices: + type: directory + description: Per-staining HQPR metrics directory, tagged with the staining index + pattern: "spoQC_tmp/metrices/hqpr/${staining}" + - staininglog: + type: file + description: Log of stainings processed + pattern: "report/staining_log.txt" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqpr_metrices/tests/main.nf.test b/modules/local/spoQC/hqpr_metrices/tests/main.nf.test new file mode 100644 index 00000000..e7e728c6 --- /dev/null +++ b/modules/local/spoQC/hqpr_metrices/tests/main.nf.test @@ -0,0 +1,80 @@ +nextflow_process { + + name "Test Process SPOQC_HQPR_METRICES" + script "../main.nf" + process "SPOQC_HQPR_METRICES" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqpr_metrices" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc hqpr_metrices") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqpr_metrices stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" 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"nextflow": "26.04.2" + } + }, + "spoqc hqpr_metrices stub": { + "content": [ + { + "0": [ + [ + 0, + [ + + ] + ] + ], + "1": [ + [ + 0, + [ + + ] + ] + ], + "2": [ + "staining_log.txt:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "3": [ + [ + "SPOQC_HQPR_METRICES", + "spoqc", + "0.1.0" + ] + ], + "metrices": [ + [ + 0, + [ + + ] + ] + ], + "report": [ + [ + 0, + [ + + ] + ] + ], + "staininglog": [ + "staining_log.txt:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_HQPR_METRICES", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T15:39:30.899401756", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_metrices/tests/nextflow.config b/modules/local/spoQC/hqpr_metrices/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqpr_metrices/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_refinement/main.nf b/modules/local/spoQC/hqpr_refinement/main.nf new file mode 100644 index 00000000..6ad46d2f --- /dev/null +++ b/modules/local/spoQC/hqpr_refinement/main.nf @@ -0,0 +1,55 @@ + +process SPOQC_HQPR_REFINEMENT { + tag "${meta.id}_${staining}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*"), val(_stain_sd) + val(step) + tuple val(staining), path(mask, stageAs: "spoQC_tmp/*") + + output: + tuple val(staining), path("report/hqpr/${staining}/hqpr_refinement") , emit: report + tuple val(staining), path("spoQC_tmp/hqpr_${staining}_output_mask_smoothed_raw") , emit: mask_smoothed + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_REFINEMENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + --staining ${staining} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQPR_REFINEMENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/hqpr/${staining}/hqpr_refinement + mkdir -p spoQC_tmp/hqpr_${staining}_output_mask_smoothed_raw + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_refinement/meta.yml b/modules/local/spoQC/hqpr_refinement/meta.yml new file mode 100644 index 00000000..d3172920 --- /dev/null +++ b/modules/local/spoQC/hqpr_refinement/meta.yml @@ -0,0 +1,87 @@ +name: spoqc_hqpr_refinement +description: | + Refine the per-staining high-quality pixel region (HQPR) probability mask into a smoothed mask. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqpr + - mask refinement +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - staining_idx_sd: + type: integer + description: Staining index carried alongside spatialdata to align the per-staining combined channel (Groovy var `_stain_sd`) + - - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - staining_idx_ann: + type: integer + description: Staining index carried alongside annotation to align the per-staining combined channel (Groovy var `_stain_ann`) + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - - staining: + type: integer + description: Staining index + - mask: + type: file + description: Per-staining HQPR raw probability mask from SPOQC_HQPR_CLUSTERING + pattern: "spoQC_tmp/*" +output: + - - staining: + type: integer + description: Staining index + - report: + type: directory + description: HTML/plot QC report directory for this staining, tagged with the staining index + pattern: "report/hqpr/${staining}/hqpr_refinement" + - - staining: + type: integer + description: Staining index + - mask: + type: file + description: Per-staining smoothed HQPR mask + pattern: "spoQC_tmp/hqpr_${staining}_output_mask_smoothed_raw" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqpr_refinement/tests/main.nf.test b/modules/local/spoQC/hqpr_refinement/tests/main.nf.test new file mode 100644 index 00000000..ac733bc3 --- /dev/null +++ b/modules/local/spoQC/hqpr_refinement/tests/main.nf.test @@ -0,0 +1,102 @@ +nextflow_process { + + name "Test Process SPOQC_HQPR_REFINEMENT" + script "../main.nf" + process "SPOQC_HQPR_REFINEMENT" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqpr_refinement" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + } + + test("spoqc hqpr_refinement") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqpr_refinement stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqpr_refinement/tests/main.nf.test.snap b/modules/local/spoQC/hqpr_refinement/tests/main.nf.test.snap new 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a/modules/local/spoQC/hqpr_refinement/tests/nextflow.config b/modules/local/spoQC/hqpr_refinement/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqpr_refinement/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_ac/main.nf b/modules/local/spoQC/hqtr_ac/main.nf new file mode 100644 index 00000000..a827d8a8 --- /dev/null +++ b/modules/local/spoQC/hqtr_ac/main.nf @@ -0,0 +1,54 @@ + +process SPOQC_HQTR_AC { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + path(ambient, stageAs: "./spoQC_tmp/ambient_output_genes.parquet") + + output: + path("./report/hqtr/hqtr_ac") , emit: report + path("./spoQC_tmp/hqtr_output_ac_prob") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_AC module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_AC module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/hqtr/hqtr_ac + mkdir -p ./spoQC_tmp/hqtr_output_ac_prob + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_ac/meta.yml b/modules/local/spoQC/hqtr_ac/meta.yml new file mode 100644 index 00000000..141aae95 --- /dev/null +++ b/modules/local/spoQC/hqtr_ac/meta.yml @@ -0,0 +1,71 @@ +name: spoqc_hqtr_ac +description: | + Estimate ambient-contamination probability for high-quality transcript regions (HQTR), using the ambient-RNA QC output. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqtr + - ambient contamination +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - ambient: + type: file + description: Per-gene ambient-RNA QC parquet output from SPOQC_AMBIENT + pattern: "ambient_output_genes.parquet" +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: HQTR ambient-contamination probability output + pattern: "hqtr_output_ac_prob" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqtr_ac/tests/main.nf.test b/modules/local/spoQC/hqtr_ac/tests/main.nf.test new file mode 100644 index 00000000..47373ae0 --- /dev/null +++ b/modules/local/spoQC/hqtr_ac/tests/main.nf.test @@ -0,0 +1,90 @@ +nextflow_process { + + name "Test Process SPOQC_HQTR_AC" + script "../main.nf" + process "SPOQC_HQTR_AC" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqtr_ac" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + } + + test("spoqc hqtr_ac") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqtr_ac stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqtr_ac/tests/nextflow.config b/modules/local/spoQC/hqtr_ac/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqtr_ac/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_bounding_box/main.nf b/modules/local/spoQC/hqtr_bounding_box/main.nf new file mode 100644 index 00000000..e03c499a --- /dev/null +++ b/modules/local/spoQC/hqtr_bounding_box/main.nf @@ -0,0 +1,51 @@ +process SPOQC_HQTR_BOUNDING_BOX { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + path(edge_strength, stageAs: "./spoQC_tmp/hqtr_output_mask_smoothed_raw") + + output: + path("./report/hqtr/hqtr_bounding_box") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_BOUNDING_BOX module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_BOUNDING_BOX module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/hqtr/hqtr_bounding_box + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_bounding_box/meta.yml b/modules/local/spoQC/hqtr_bounding_box/meta.yml new file mode 100644 index 00000000..3dadbd5f --- /dev/null +++ b/modules/local/spoQC/hqtr_bounding_box/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_hqtr_bounding_box +description: | + Generate a high-quality transcript region (HQTR) bounding-box QC report. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqtr + - bounding box +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - edge_strength: + type: file + description: HQTR spatially smoothed mask (edge-strength input) from SPOQC_HQTR_REFINEMENT + pattern: "hqtr_output_mask_smoothed_raw" +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqtr_bounding_box/tests/main.nf.test b/modules/local/spoQC/hqtr_bounding_box/tests/main.nf.test new file mode 100644 index 00000000..eeb5de2d --- /dev/null +++ b/modules/local/spoQC/hqtr_bounding_box/tests/main.nf.test @@ -0,0 +1,145 @@ +nextflow_process { + + name "Test Process SPOQC_HQTR_BOUNDING_BOX" + script "../main.nf" + process "SPOQC_HQTR_BOUNDING_BOX" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqtr_bounding_box" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + run("SPOQC_HQTR_REFINEMENT") { + script "modules/local/spoQC/hqtr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc hqtr_bounding_box") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_bounding_box" + input[2] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqtr_bounding_box stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_bounding_box" + input[2] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config b/modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_celltype/main.nf b/modules/local/spoQC/hqtr_celltype/main.nf new file mode 100644 index 00000000..0aeb02fd --- /dev/null +++ b/modules/local/spoQC/hqtr_celltype/main.nf @@ -0,0 +1,61 @@ + +process SPOQC_HQTR_CELLTYPE { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + path(tmp_general, stageAs: "./spoQC_tmp/generalqc_output_hqcr.parquet") + path(tmp_bubble, stageAs: "./spoQC_tmp/bubbleqc_output_hqcr.parquet") + path(tmp_doublet, stageAs: "./spoQC_tmp/doubletqc_output_hqcr.parquet") + path(tmp_void, stageAs: "./spoQC_tmp/voidqc_output_hqcr.parquet") + path(tmp_cell, stageAs: "./spoQC_tmp/cellqc_output_hqcr.parquet") + path(mask, stageAs: "./spoQC_tmp/hqtr_output_mask_raw") + path(mask_smoothed, stageAs: "./spoQC_tmp/hqtr_output_mask_smoothed_raw") + + output: + path("./report/hqtr/hqtr_celltype") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/hqtr/hqtr_celltype + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_celltype/meta.yml b/modules/local/spoQC/hqtr_celltype/meta.yml new file mode 100644 index 00000000..824715d6 --- /dev/null +++ b/modules/local/spoQC/hqtr_celltype/meta.yml @@ -0,0 +1,93 @@ +name: spoqc_hqtr_celltype +description: | + Run high-quality transcript region (HQTR) cell-type QC, combining the general/bubble/doublet/void/cell QC outputs with the HQTR probability and mask. + + Currently not wired into the `SPOQC` subworkflow (the call is commented out in `subworkflows/local/spoqc/main.nf`). +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqtr + - cell type +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - tmp_general: + type: file + description: General QC parquet output from SPOQC_GENERAL + pattern: "generalqc_output_hqcr.parquet" + - tmp_bubble: + type: file + description: Bubble QC parquet output from SPOQC_BUBBLE + pattern: "bubbleqc_output_hqcr.parquet" + - tmp_doublet: + type: file + description: Doublet QC parquet output from SPOQC_DOUBLET + pattern: "doubletqc_output_hqcr.parquet" + - tmp_void: + type: file + description: Void QC parquet output from SPOQC_VOID + pattern: "voidqc_output_hqcr.parquet" + - tmp_cell: + type: file + description: Cell QC parquet output from SPOQC_CELL + pattern: "cellqc_output_hqcr.parquet" + - mask: + type: file + description: HQTR raw probability mask from SPOQC_HQTR_CLUSTERING + pattern: "hqtr_output_mask_raw" + - mask_smoothed: + type: file + description: Smoothed HQTR mask from SPOQC_HQTR_REFINEMENT + pattern: "hqtr_output_mask_smoothed_raw" +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqtr_celltype/tests/main.nf.test b/modules/local/spoQC/hqtr_celltype/tests/main.nf.test new file mode 100644 index 00000000..b33fd3e3 --- /dev/null +++ b/modules/local/spoQC/hqtr_celltype/tests/main.nf.test @@ -0,0 +1,222 @@ +nextflow_process { + + name "Test Process SPOQC_HQTR_CELLTYPE" + script "../main.nf" + process "SPOQC_HQTR_CELLTYPE" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqtr_celltype" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + run("SPOQC_HQTR_REFINEMENT") { + script "modules/local/spoQC/hqtr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + } + + test("spoqc hqtr_celltype") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "hqtr_celltype" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQTR_CLUSTERING.out.mask + input[9] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqtr_celltype stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "hqtr_celltype" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQTR_CLUSTERING.out.mask + input[9] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqtr_celltype/tests/nextflow.config b/modules/local/spoQC/hqtr_celltype/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqtr_celltype/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_clustering/main.nf b/modules/local/spoQC/hqtr_clustering/main.nf new file mode 100644 index 00000000..481751b9 --- /dev/null +++ b/modules/local/spoQC/hqtr_clustering/main.nf @@ -0,0 +1,56 @@ + +process SPOQC_HQTR_CLUSTERING { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + path(metrices, stageAs: "spoQC_tmp/metrices/hqtr") + path(qv, stageAs: "spoQC_tmp/*") + path(ac, stageAs: "spoQC_tmp/*") + + output: + path("report/hqtr/hqtr_clustering") , emit: report + path("spoQC_tmp/hqtr_output_mask_raw") , emit: mask + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_CLUSTERING module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_CLUSTERING module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/hqtr/hqtr_clustering + mkdir -p spoQC_tmp/hqtr_output_mask_raw + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_clustering/meta.yml b/modules/local/spoQC/hqtr_clustering/meta.yml new file mode 100644 index 00000000..1e436c87 --- /dev/null +++ b/modules/local/spoQC/hqtr_clustering/meta.yml @@ -0,0 +1,79 @@ +name: spoqc_hqtr_clustering +description: | + Cluster high-quality transcript region (HQTR) metrics, quality-value and ambient-contamination probabilities into a raw mask. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqtr + - clustering +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - metrices: + type: directory + description: HQTR metrics directory from SPOQC_HQTR_METRICES + pattern: "spoQC_tmp/metrices/hqtr" + - qv: + type: file + description: HQTR quality-value probability output from SPOQC_HQTR_QV + pattern: "spoQC_tmp/*" + - ac: + type: file + description: HQTR ambient-contamination probability output from SPOQC_HQTR_AC + pattern: "spoQC_tmp/*" +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - mask: + type: file + description: HQTR raw probability mask + pattern: "hqtr_output_mask_raw" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqtr_clustering/tests/main.nf.test b/modules/local/spoQC/hqtr_clustering/tests/main.nf.test new file mode 100644 index 00000000..ebd18b9b --- /dev/null +++ b/modules/local/spoQC/hqtr_clustering/tests/main.nf.test @@ -0,0 +1,125 @@ +nextflow_process { + + name "Test Process SPOQC_HQTR_CLUSTERING" + script "../main.nf" + process "SPOQC_HQTR_CLUSTERING" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqtr_clustering" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + } + + test("spoqc hqtr_clustering") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqtr_clustering stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqtr_clustering/tests/nextflow.config b/modules/local/spoQC/hqtr_clustering/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqtr_clustering/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_metrices/main.nf b/modules/local/spoQC/hqtr_metrices/main.nf new file mode 100644 index 00000000..351043ac --- /dev/null +++ b/modules/local/spoQC/hqtr_metrices/main.nf @@ -0,0 +1,52 @@ + +process SPOQC_HQTR_METRICES { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("report/hqtr/hqtr_metrices") , emit: report + path("spoQC_tmp/metrices/hqtr") , emit: metrices + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_METRICES module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_METRICES module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/hqtr/hqtr_metrices + mkdir -p spoQC_tmp/metrices/hqtr + """ +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_metrices/meta.yml b/modules/local/spoQC/hqtr_metrices/meta.yml new file mode 100644 index 00000000..e28b9efd --- /dev/null +++ b/modules/local/spoQC/hqtr_metrices/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_hqtr_metrices +description: | + Compute high-quality transcript region (HQTR) metrics for a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqtr + - high quality transcript region +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - metrices: + type: directory + description: HQTR metrics directory + pattern: "spoQC_tmp/metrices/hqtr" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqtr_metrices/tests/main.nf.test b/modules/local/spoQC/hqtr_metrices/tests/main.nf.test new file mode 100644 index 00000000..8d9f68de --- /dev/null +++ b/modules/local/spoQC/hqtr_metrices/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_HQTR_METRICES" + script "../main.nf" + process "SPOQC_HQTR_METRICES" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqtr_metrices" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc hqtr_metrices") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqtr_metrices stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqtr_metrices/tests/nextflow.config b/modules/local/spoQC/hqtr_metrices/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqtr_metrices/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_qv/main.nf b/modules/local/spoQC/hqtr_qv/main.nf new file mode 100644 index 00000000..8745ac2d --- /dev/null +++ b/modules/local/spoQC/hqtr_qv/main.nf @@ -0,0 +1,53 @@ + +process SPOQC_HQTR_QV { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/hqtr/hqtr_qv") , emit: report + path("./spoQC_tmp/hqtr_output_qv_prob") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_QV module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_QV module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/hqtr/hqtr_qv + mkdir -p ./spoQC_tmp/hqtr_output_qv_prob + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_qv/meta.yml b/modules/local/spoQC/hqtr_qv/meta.yml new file mode 100644 index 00000000..82a2ade7 --- /dev/null +++ b/modules/local/spoQC/hqtr_qv/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_hqtr_qv +description: | + Estimate quality-value probability for high-quality transcript regions (HQTR). +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqtr + - quality value +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: HQTR quality-value probability output + pattern: "hqtr_output_qv_prob" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqtr_qv/tests/main.nf.test b/modules/local/spoQC/hqtr_qv/tests/main.nf.test new file mode 100644 index 00000000..0a823b7a --- /dev/null +++ b/modules/local/spoQC/hqtr_qv/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_HQTR_QV" + script "../main.nf" + process "SPOQC_HQTR_QV" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqtr_qv" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc hqtr_qv") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqtr_qv stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqtr_qv/tests/nextflow.config b/modules/local/spoQC/hqtr_qv/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqtr_qv/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_refinement/main.nf b/modules/local/spoQC/hqtr_refinement/main.nf new file mode 100644 index 00000000..d7b42b73 --- /dev/null +++ b/modules/local/spoQC/hqtr_refinement/main.nf @@ -0,0 +1,53 @@ +process SPOQC_HQTR_REFINEMENT { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + path(mask, stageAs: "./spoQC_tmp/hqtr_output_mask_raw") + + output: + path("./report/hqtr/hqtr_refinement") , emit: report + path("./spoQC_tmp/hqtr_output_mask_smoothed_raw") , emit: mask_smoothed + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_REFINEMENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_HQTR_REFINEMENT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/hqtr/hqtr_refinement + mkdir -p ./spoQC_tmp/hqtr_output_mask_smoothed_raw + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_refinement/meta.yml b/modules/local/spoQC/hqtr_refinement/meta.yml new file mode 100644 index 00000000..e1402523 --- /dev/null +++ b/modules/local/spoQC/hqtr_refinement/meta.yml @@ -0,0 +1,71 @@ +name: spoqc_hqtr_refinement +description: | + Refine the high-quality transcript region (HQTR) probability mask into a smoothed mask. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - hqtr + - mask refinement +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - mask: + type: file + description: HQTR raw mask from SPOQC_HQTR_CLUSTERING + pattern: "hqtr_output_mask_raw" +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - mask_smoothed: + type: file + description: Smoothed HQTR mask + pattern: "hqtr_output_mask_smoothed_raw" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/hqtr_refinement/tests/main.nf.test b/modules/local/spoQC/hqtr_refinement/tests/main.nf.test new file mode 100644 index 00000000..35e8a4e5 --- /dev/null +++ b/modules/local/spoQC/hqtr_refinement/tests/main.nf.test @@ -0,0 +1,134 @@ +nextflow_process { + + name "Test Process SPOQC_HQTR_REFINEMENT" + script "../main.nf" + process "SPOQC_HQTR_REFINEMENT" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/hqtr_refinement" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + } + + test("spoqc hqtr_refinement") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc hqtr_refinement stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/hqtr_refinement/tests/nextflow.config b/modules/local/spoQC/hqtr_refinement/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/hqtr_refinement/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/marker/main.nf b/modules/local/spoQC/marker/main.nf new file mode 100644 index 00000000..c6100b0b --- /dev/null +++ b/modules/local/spoQC/marker/main.nf @@ -0,0 +1,53 @@ +process SPOQC_MARKER { + tag "$meta.id" + label 'process_medium' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + + output: + path("./report/markerqc") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_MARKER module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_MARKER module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/markerqc + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/marker/meta.yml b/modules/local/spoQC/marker/meta.yml new file mode 100644 index 00000000..54709e07 --- /dev/null +++ b/modules/local/spoQC/marker/meta.yml @@ -0,0 +1,64 @@ +name: spoqc_marker +description: | + Run marker-gene QC checks on a SpatialData object. + + Currently not wired into the `SPOQC` subworkflow (the call is commented out in `subworkflows/local/spoqc/main.nf`). +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - marker gene +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/marker/tests/main.nf.test b/modules/local/spoQC/marker/tests/main.nf.test new file mode 100644 index 00000000..e5b2c2f4 --- /dev/null +++ b/modules/local/spoQC/marker/tests/main.nf.test @@ -0,0 +1,91 @@ +nextflow_process { + + name "Test Process SPOQC_MARKER" + script "../main.nf" + process "SPOQC_MARKER" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/marker" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + } + + test("spoqc marker") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "markerqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc marker stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "markerqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/marker/tests/main.nf.test.snap b/modules/local/spoQC/marker/tests/main.nf.test.snap new file mode 100644 index 00000000..5c470e84 --- /dev/null +++ b/modules/local/spoQC/marker/tests/main.nf.test.snap @@ -0,0 +1,72 @@ +{ + "spoqc marker stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_MARKER", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_MARKER", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:56:34.628759478", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc marker": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_MARKER", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_MARKER", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:55:47.263826449", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/marker/tests/nextflow.config b/modules/local/spoQC/marker/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/marker/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/model/main.nf b/modules/local/spoQC/model/main.nf new file mode 100644 index 00000000..65c3d56f --- /dev/null +++ b/modules/local/spoQC/model/main.nf @@ -0,0 +1,50 @@ +process SPOQC_MODEL { + tag "$meta.id" + label 'process_medium' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/modelqc") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_MODEL module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_MODEL module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/modelqc + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/model/meta.yml b/modules/local/spoQC/model/meta.yml new file mode 100644 index 00000000..ded17c5f --- /dev/null +++ b/modules/local/spoQC/model/meta.yml @@ -0,0 +1,62 @@ +name: spoqc_model +description: | + Run model-based QC scoring on a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - model qc +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/model/tests/main.nf.test b/modules/local/spoQC/model/tests/main.nf.test new file mode 100644 index 00000000..bbd13c24 --- /dev/null +++ b/modules/local/spoQC/model/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_MODEL" + script "../main.nf" + process "SPOQC_MODEL" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/model" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc model") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "modelqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc model stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "modelqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/model/tests/main.nf.test.snap b/modules/local/spoQC/model/tests/main.nf.test.snap new file mode 100644 index 00000000..0f564578 --- /dev/null +++ b/modules/local/spoQC/model/tests/main.nf.test.snap @@ -0,0 +1,130 @@ +{ + "spoqc model": { + "content": [ + { + "0": [ + [ + "pca_evaluation_moransi.html:md5,5985fb2996ae50cefd22e9bfb5346685", + "pca_evaluation_moransi.pdf:md5,564f2b3e7431ea21147101a8ba6263e3", + "pca_evaluation_moransi.png:md5,09d46a2b1e5837f14bf9bd3a7f97f638", + 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} + }, + "spoqc model stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_MODEL", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_MODEL", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:36:09.483357844", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/model/tests/nextflow.config b/modules/local/spoQC/model/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/model/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/transcript/main.nf b/modules/local/spoQC/transcript/main.nf new file mode 100644 index 00000000..2fd5b098 --- /dev/null +++ b/modules/local/spoQC/transcript/main.nf @@ -0,0 +1,54 @@ + +process SPOQC_TRANSCRIPT { + tag "$meta.id" + label 'process_medium' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + path(annotation, stageAs: "*") + val(step) + + output: + path("./report/transcriptqc") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_TRANSCRIPT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + def annotation_arg = annotation ? "-a ${annotation}" : "" + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + ${annotation_arg} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_TRANSCRIPT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/transcriptqc + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/transcript/meta.yml b/modules/local/spoQC/transcript/meta.yml new file mode 100644 index 00000000..3ee7d6ea --- /dev/null +++ b/modules/local/spoQC/transcript/meta.yml @@ -0,0 +1,61 @@ +name: spoqc_transcript +description: | + Run transcript-level QC against a reference gene panel for a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - transcript qc +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/transcript/tests/main.nf.test b/modules/local/spoQC/transcript/tests/main.nf.test new file mode 100644 index 00000000..43c53ccc --- /dev/null +++ b/modules/local/spoQC/transcript/tests/main.nf.test @@ -0,0 +1,91 @@ +nextflow_process { + + name "Test Process SPOQC_TRANSCRIPT" + script "../main.nf" + process "SPOQC_TRANSCRIPT" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/transcript" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + } + + test("spoqc transcript") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "transcriptqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc transcript stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "transcriptqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/transcript/tests/main.nf.test.snap b/modules/local/spoQC/transcript/tests/main.nf.test.snap new file mode 100644 index 00000000..4952978a --- /dev/null +++ b/modules/local/spoQC/transcript/tests/main.nf.test.snap @@ -0,0 +1,74 @@ +{ + "spoqc transcript stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_TRANSCRIPT", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_TRANSCRIPT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:34:24.267117929", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc transcript": { + "content": [ + { + "0": [ + [ + "scatterplot_densityplot_neg_probes.pdf:md5,2d5ab6e83d42e6e92c89710c6dbec174", + "scatterplot_densityplot_neg_probes.png:md5,1124a6e89d1f35cb12cd2f33660c511a" + ] + ], + "1": [ + [ + "SPOQC_TRANSCRIPT", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + "scatterplot_densityplot_neg_probes.pdf:md5,2d5ab6e83d42e6e92c89710c6dbec174", + "scatterplot_densityplot_neg_probes.png:md5,1124a6e89d1f35cb12cd2f33660c511a" + ] + ], + "versions_spoqc": [ + [ + "SPOQC_TRANSCRIPT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:33:33.827721361", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/transcript/tests/nextflow.config b/modules/local/spoQC/transcript/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/transcript/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/void/main.nf b/modules/local/spoQC/void/main.nf new file mode 100644 index 00000000..8184a2b4 --- /dev/null +++ b/modules/local/spoQC/void/main.nf @@ -0,0 +1,54 @@ + +process SPOQC_VOID { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/voidqc") , emit: report + path("./spoQC_tmp/voidqc_output_hqcr.parquet") , emit: tmp + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_VOID module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_VOID module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/voidqc + mkdir -p ./spoQC_tmp + touch ./spoQC_tmp/voidqc_output_hqcr.parquet + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/void/meta.yml b/modules/local/spoQC/void/meta.yml new file mode 100644 index 00000000..f59e5b9f --- /dev/null +++ b/modules/local/spoQC/void/meta.yml @@ -0,0 +1,67 @@ +name: spoqc_void +description: | + Run void/empty-region QC checks on a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - void detection +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - tmp: + type: file + description: | + Per-cell void QC parquet output, consumed by the HQCR identification/cell-type and downstream analysis steps. + pattern: "voidqc_output_hqcr.parquet" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/void/tests/main.nf.test b/modules/local/spoQC/void/tests/main.nf.test new file mode 100644 index 00000000..ce834b73 --- /dev/null +++ b/modules/local/spoQC/void/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_VOID" + script "../main.nf" + process "SPOQC_VOID" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/void" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc void") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc void stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/void/tests/main.nf.test.snap b/modules/local/spoQC/void/tests/main.nf.test.snap new file mode 100644 index 00000000..9b05ebdd --- /dev/null +++ b/modules/local/spoQC/void/tests/main.nf.test.snap @@ -0,0 +1,108 @@ +{ + "spoqc void stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + "voidqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + [ + "SPOQC_VOID", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "tmp": [ + "voidqc_output_hqcr.parquet:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_VOID", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:31:09.576606375", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc void": { + "content": [ + { + "0": [ + [ + "barplot_void_log10_transcripts_counts_outside_cell.pdf:md5,352e5923cbf406243598ba93125f857a", + "barplot_void_log10_transcripts_counts_outside_cell.png:md5,67ab76df8f482660a2d50371f10b9b4b", + "barplot_void_nuclei_count.pdf:md5,a01acbd7a28b8c79e6ce8a1a81b0284f", + "barplot_void_nuclei_count.png:md5,76ee7b9c0051383d197579a59ca0f7fd", + "boxplot_edge_lengths.pdf:md5,18296243f2da517369a6c14554fe0e7e", + "boxplot_edge_lengths.png:md5,a5412bf03c7b1ca9f5b9a5b5a70dbd87", + "spatial_traingle_all_clsuters.pdf:md5,267566d52c184450aa83cc1d8b6a22a3", + "spatial_traingle_all_clsuters.png:md5,531254f7de227b9a196a74767cec8803", + "spatial_traingle_filtered_clusters_False.pdf:md5,6e1345ec07771bc6f11f5943bff34331", + "spatial_traingle_filtered_clusters_False.png:md5,7b1781db5b4d59cc471b239905222395", + "spatial_traingle_filtered_clusters_True.pdf:md5,6e1345ec07771bc6f11f5943bff34331", + "spatial_traingle_filtered_clusters_True.png:md5,7b1781db5b4d59cc471b239905222395", + "void.html:md5,79ebc1b47a30991250a7c048110f0184" + ] + ], + "1": [ + "voidqc_output_hqcr.parquet:md5,368495a52a2869d58ac110fc634a9d3f" + ], + "2": [ + [ + "SPOQC_VOID", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + "barplot_void_log10_transcripts_counts_outside_cell.pdf:md5,352e5923cbf406243598ba93125f857a", + "barplot_void_log10_transcripts_counts_outside_cell.png:md5,67ab76df8f482660a2d50371f10b9b4b", + "barplot_void_nuclei_count.pdf:md5,a01acbd7a28b8c79e6ce8a1a81b0284f", + "barplot_void_nuclei_count.png:md5,76ee7b9c0051383d197579a59ca0f7fd", + "boxplot_edge_lengths.pdf:md5,18296243f2da517369a6c14554fe0e7e", + "boxplot_edge_lengths.png:md5,a5412bf03c7b1ca9f5b9a5b5a70dbd87", + "spatial_traingle_all_clsuters.pdf:md5,267566d52c184450aa83cc1d8b6a22a3", + "spatial_traingle_all_clsuters.png:md5,531254f7de227b9a196a74767cec8803", + "spatial_traingle_filtered_clusters_False.pdf:md5,6e1345ec07771bc6f11f5943bff34331", + "spatial_traingle_filtered_clusters_False.png:md5,7b1781db5b4d59cc471b239905222395", + "spatial_traingle_filtered_clusters_True.pdf:md5,6e1345ec07771bc6f11f5943bff34331", + "spatial_traingle_filtered_clusters_True.png:md5,7b1781db5b4d59cc471b239905222395", + "void.html:md5,79ebc1b47a30991250a7c048110f0184" + ] + ], + "tmp": [ + "voidqc_output_hqcr.parquet:md5,368495a52a2869d58ac110fc634a9d3f" + ], + "versions_spoqc": [ + [ + "SPOQC_VOID", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:30:40.866659635", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/void/tests/nextflow.config b/modules/local/spoQC/void/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/void/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/whole_slide/main.nf b/modules/local/spoQC/whole_slide/main.nf new file mode 100644 index 00000000..dd994640 --- /dev/null +++ b/modules/local/spoQC/whole_slide/main.nf @@ -0,0 +1,51 @@ + +process SPOQC_WHOLE_SLIDE { + tag "$meta.id" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + + output: + path("./report/whole_slide_qc") , emit: report + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_WHOLE_SLIDE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_WHOLE_SLIDE module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p ./report/whole_slide_qc + """ + +} + \ No newline at end of file diff --git a/modules/local/spoQC/whole_slide/meta.yml b/modules/local/spoQC/whole_slide/meta.yml new file mode 100644 index 00000000..b48d0273 --- /dev/null +++ b/modules/local/spoQC/whole_slide/meta.yml @@ -0,0 +1,62 @@ +name: spoqc_whole_slide +description: | + Generate a whole-slide QC overview report for a SpatialData object. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - whole slide +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - annotation: + type: file + description: | + Optional cell-type annotation file. When empty/absent, spoqc is run without the `-a` flag. + pattern: "*.tsv" + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` +output: + - report: + type: directory + description: HTML/plot QC report directory produced for this step + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/whole_slide/tests/main.nf.test b/modules/local/spoQC/whole_slide/tests/main.nf.test new file mode 100644 index 00000000..1dbfaaca --- /dev/null +++ b/modules/local/spoQC/whole_slide/tests/main.nf.test @@ -0,0 +1,78 @@ +nextflow_process { + + name "Test Process SPOQC_WHOLE_SLIDE" + script "../main.nf" + process "SPOQC_WHOLE_SLIDE" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/whole_slide" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + } + + test("spoqc whole_slide") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "whole_slide_qc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc whole_slide stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "whole_slide_qc" + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/whole_slide/tests/main.nf.test.snap b/modules/local/spoQC/whole_slide/tests/main.nf.test.snap new file mode 100644 index 00000000..8b0f6687 --- /dev/null +++ b/modules/local/spoQC/whole_slide/tests/main.nf.test.snap @@ -0,0 +1,78 @@ +{ + "spoqc whole_slide stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_WHOLE_SLIDE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_WHOLE_SLIDE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:29:36.182042289", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + }, + "spoqc whole_slide": { + "content": [ + { + "0": [ + [ + "domain_thickness_score.pdf:md5,21f71c62f4225c7eef56a6487f3b3ee0", + "domain_thickness_score.png:md5,66b4094eb6da59997c6e5bde4fbb237e", + "input_domain_thickness_analysis.pdf:md5,d3a8290f47fd4ee09e69994c56709538", + "input_domain_thickness_analysis.png:md5,a78fb8ac2af87b609b0b6a097ab629a7" + ] + ], + "1": [ + [ + "SPOQC_WHOLE_SLIDE", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + "domain_thickness_score.pdf:md5,21f71c62f4225c7eef56a6487f3b3ee0", + "domain_thickness_score.png:md5,66b4094eb6da59997c6e5bde4fbb237e", + "input_domain_thickness_analysis.pdf:md5,d3a8290f47fd4ee09e69994c56709538", + "input_domain_thickness_analysis.png:md5,a78fb8ac2af87b609b0b6a097ab629a7" + ] + ], + "versions_spoqc": [ + [ + "SPOQC_WHOLE_SLIDE", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-17T12:29:00.068043699", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.2" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/whole_slide/tests/nextflow.config b/modules/local/spoQC/whole_slide/tests/nextflow.config new file mode 100644 index 00000000..32ea1afe --- /dev/null +++ b/modules/local/spoQC/whole_slide/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '8.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/nextflow.config b/nextflow.config index cf75ae06..b36056e9 100644 --- a/nextflow.config +++ b/nextflow.config @@ -112,6 +112,7 @@ params { // qc specific run_qc = true // whether to run the qc layer of pipeline offtarget_probe_tracking = false // whether to run off-target probe tracking (provide probe_fasta, reference sequences, gene synonyms ) + spoqc = false // whether to run spoqc // utility modules csplit_x_bins = 2 // number of tiles along the x axis (total number of bins is product of x_bins * y_bins) diff --git a/subworkflows/local/spoqc/main.nf b/subworkflows/local/spoqc/main.nf new file mode 100644 index 00000000..bb54c6d0 --- /dev/null +++ b/subworkflows/local/spoqc/main.nf @@ -0,0 +1,367 @@ +// +// generate spatialdata object from the spatialxe layers +// + +include { SPATIALDATA_WRITE as SPATIALDATA_WRITE_RAW_BUNDLE } from '../../../modules/local/spatialdata/write/main' +// spoQC general stuff +include { SPOQC_ANNOTATION } from '../../../modules/local/spoQC/annotation/main' +include { SPOQC_WHOLE_SLIDE } from '../../../modules/local/spoQC/whole_slide/main' +include { SPOQC_GENERAL } from '../../../modules/local/spoQC/general/main' +include { SPOQC_BUBBLE } from '../../../modules/local/spoQC/bubble/main' +include { SPOQC_DOUBLET } from '../../../modules/local/spoQC/doublet/main' +include { SPOQC_VOID } from '../../../modules/local/spoQC/void/main' +include { SPOQC_CELL } from '../../../modules/local/spoQC/cell/main' +include { SPOQC_AMBIENT } from '../../../modules/local/spoQC/ambient/main' +// spoQC hqcr +include { SPOQC_HQCR_IDENT } from '../../../modules/local/spoQC/hqcr_ident/main' +include { SPOQC_HQCR_CELLTYPE } from '../../../modules/local/spoQC/hqcr_celltype/main' +// spoQC hqpr +include { SPOQC_HQPR_METRICES } from '../../../modules/local/spoQC/hqpr_metrices/main' +include { SPOQC_HQPR_CLUSTERING } from '../../../modules/local/spoQC/hqpr_clustering/main' +include { SPOQC_HQPR_REFINEMENT } from '../../../modules/local/spoQC/hqpr_refinement/main' +include { SPOQC_HQPR_BOUNDING_BOX } from '../../../modules/local/spoQC/hqpr_bounding_box/main' +include { SPOQC_HQPR_CELLTYPE } from '../../../modules/local/spoQC/hqpr_celltype/main' +// spoQC hqtr +include { SPOQC_HQTR_METRICES } from '../../../modules/local/spoQC/hqtr_metrices/main' +include { SPOQC_HQTR_AC } from '../../../modules/local/spoQC/hqtr_ac/main' +include { SPOQC_HQTR_QV } from '../../../modules/local/spoQC/hqtr_qv/main' +include { SPOQC_HQTR_CLUSTERING } from '../../../modules/local/spoQC/hqtr_clustering/main' +include { SPOQC_HQTR_REFINEMENT } from '../../../modules/local/spoQC/hqtr_refinement/main' +include { SPOQC_HQTR_BOUNDING_BOX } from '../../../modules/local/spoQC/hqtr_bounding_box/main' +include { SPOQC_HQTR_CELLTYPE } from '../../../modules/local/spoQC/hqtr_celltype/main' +// spoQC downstream +include { SPOQC_COMBINE_MASKS } from '../../../modules/local/spoQC/combine_masks/main' +include { SPOQC_TRANSCRIPT } from '../../../modules/local/spoQC/transcript/main' +include { SPOQC_CELLCYCLE } from '../../../modules/local/spoQC/cellcycle/main' +include { SPOQC_MODEL } from '../../../modules/local/spoQC/model/main' +include { SPOQC_MARKER } from '../../../modules/local/spoQC/marker/main' +// spoQC final analysis +include { SPOQC_ANALYSIS_OVERVIEW } from '../../../modules/local/spoQC/analysis_overview/main' +include { SPOQC_ANALYSIS_CATEGORY } from '../../../modules/local/spoQC/analysis_category/main' +include { SPOQC_ANALYSIS_CLUSTER } from '../../../modules/local/spoQC/analysis_cluster/main' + +workflow SPOQC { + + take: + ch_bundle_path // channel: [ val(meta), [ "path-to-xenium-bundle" ] ] + ch_annotation_src // channel: [ [ "path-to-annotation-file" ] ] + ch_stainings // channel: [ [ 1,2,.... ] ] + + main: + + if ( params.nucleus_segmentation_only && params.cell_segmentation_only ) { + + ch_segmented_object = channel.value('cells_and_nuclei') + + } + + else if ( params.nucleus_segmentation_only ) { + + ch_segmented_object = channel.value('nuclei') + + } + + else if ( params.cell_segmentation_only ) { + + ch_segmented_object = channel.value('cells') + + } else { + + ch_segmented_object = channel.value([]) + + } + + ch_coordinate_space = channel.value("all") + + // write spatialdata object from the raw xenium bundle + SPATIALDATA_WRITE_RAW_BUNDLE ( + ch_bundle_path, + 'spatialdata_raw', + ch_segmented_object, + ch_coordinate_space, + ) + + // General ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + // keep only actual, usable annotations (non-null and not an empty list) + ch_annotation_present = ch_annotation_src.filter { a -> a && (!(a instanceof List) || !a.isEmpty()) } + + SPOQC_ANNOTATION( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_src, + "annotation", + ) + ch_annotation_path = ch_annotation_present.mix( SPOQC_ANNOTATION.out.annotation ) + + SPOQC_GENERAL( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_path, + "generalqc", + ) + + SPOQC_WHOLE_SLIDE( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "whole_slide_qc", + ) + + SPOQC_BUBBLE( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "bubbleqc", + ) + + SPOQC_DOUBLET( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_path, + "doubletqc", + ) + + SPOQC_VOID( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "voidqc", + ) + + SPOQC_CELL( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "cellqc", + ) + + SPOQC_AMBIENT( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "ambientqc", + ) + + // HQCR ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + SPOQC_HQCR_IDENT( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "hqcr_ident", + SPOQC_GENERAL.out.tmp, + SPOQC_BUBBLE.out.tmp, + SPOQC_DOUBLET.out.tmp, + SPOQC_VOID.out.tmp, + SPOQC_CELL.out.tmp, + ) + + SPOQC_HQCR_CELLTYPE( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_path, + "hqcr_celltype", + SPOQC_GENERAL.out.tmp, + SPOQC_BUBBLE.out.tmp, + SPOQC_DOUBLET.out.tmp, + SPOQC_VOID.out.tmp, + SPOQC_CELL.out.tmp, + ) + + // HQPR ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + SPOQC_HQPR_METRICES( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_stainings, + "hqpr_metrices", + ) + + ch_spatialdata_stainings = SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata.combine(ch_stainings) + ch_annotation_stainings = ch_annotation_path.combine(ch_stainings) + + SPOQC_HQPR_CLUSTERING( + ch_spatialdata_stainings, + "hqpr_clustering", + SPOQC_HQPR_METRICES.out.metrices, + ) + + SPOQC_HQPR_REFINEMENT( + ch_spatialdata_stainings, + "hqpr_refinement", + SPOQC_HQPR_CLUSTERING.out.mask, + ) + + SPOQC_HQPR_BOUNDING_BOX( + ch_spatialdata_stainings, + "hqpr_bounding_box", + SPOQC_HQPR_REFINEMENT.out.mask_smoothed, + ) + + // ch_masks_joined emits: tuple(val(staining), path(mask), path(mask)) + // ch_masks_joined = SPOQC_HQPR_CLUSTERING.out.mask.join( SPOQC_HQPR_REFINEMENT.out.mask_smoothed ) + + // SPOQC_HQPR_CELLTYPE( + // ch_spatialdata_stainings, + // ch_annotation_stainings, + // "hqpr_celltype", + // SPOQC_GENERAL.out.tmp.combine(ch_stainings), + // SPOQC_BUBBLE.out.tmp.combine(ch_stainings), + // SPOQC_DOUBLET.out.tmp.combine(ch_stainings), + // SPOQC_VOID.out.tmp.combine(ch_stainings), + // SPOQC_CELL.out.tmp.combine(ch_stainings), + // ch_masks_joined, + // ) + + // HQTR ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + SPOQC_HQTR_METRICES( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "hqtr_metrices", + ) + + SPOQC_HQTR_AC( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "hqtr_ac", + SPOQC_AMBIENT.out.tmp, + ) + + SPOQC_HQTR_QV( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "hqtr_qv", + ) + + SPOQC_HQTR_CLUSTERING( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "hqtr_clustering", + SPOQC_HQTR_METRICES.out.metrices, + SPOQC_HQTR_QV.out.tmp, + SPOQC_HQTR_AC.out.tmp, + ) + + SPOQC_HQTR_REFINEMENT( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "hqtr_refinement", + SPOQC_HQTR_CLUSTERING.out.mask, + ) + + SPOQC_HQTR_BOUNDING_BOX( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "hqtr_bounding_box", + SPOQC_HQTR_REFINEMENT.out.mask_smoothed, + ) + + // SPOQC_HQTR_CELLTYPE( + // SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + // ch_annotation_path, + // "hqtr_celltype", + // SPOQC_GENERAL.out.tmp, + // SPOQC_BUBBLE.out.tmp, + // SPOQC_DOUBLET.out.tmp, + // SPOQC_VOID.out.tmp, + // SPOQC_CELL.out.tmp, + // SPOQC_HQTR_CLUSTERING.out.mask, + // SPOQC_HQTR_REFINEMENT.out.mask_smoothed, + // ) + + // Downstream ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + SPOQC_COMBINE_MASKS( + ch_spatialdata_stainings, + "combine_masks", + SPOQC_HQCR_IDENT.out.mask.combine(ch_stainings), + SPOQC_HQPR_CLUSTERING.out.mask, + SPOQC_HQTR_CLUSTERING.out.mask.combine(ch_stainings), + SPOQC_HQCR_IDENT.out.mask_smoothed.combine(ch_stainings), + SPOQC_HQPR_REFINEMENT.out.mask_smoothed, + SPOQC_HQTR_REFINEMENT.out.mask_smoothed.combine(ch_stainings), + ) + + SPOQC_TRANSCRIPT( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_path, + "transcriptqc", + ) + + SPOQC_CELLCYCLE( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "cellcycleqc", + ) + + SPOQC_MODEL( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "modelqc", + ) + + // SPOQC_MARKER( + // SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + // ch_annotation_path, + // "markerqc" + // ) + + // Analysis ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + ch_files_hqpr_metrics = SPOQC_HQPR_METRICES.out.metrices + .map { _idx, p -> p } + .collect() + + ch_files_hqpr_masks = SPOQC_HQPR_CLUSTERING.out.mask + .map { _idx, p -> p } + .collect() + + ch_files_hqpr_masks_smoothed = SPOQC_HQPR_REFINEMENT.out.mask_smoothed + .map { _idx, p -> p } + .collect() + + SPOQC_ANALYSIS_OVERVIEW( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_path, + "analysis_overview", + SPOQC_GENERAL.out.tmp, + SPOQC_BUBBLE.out.tmp, + SPOQC_DOUBLET.out.tmp, + SPOQC_VOID.out.tmp, + SPOQC_CELL.out.tmp, + SPOQC_HQCR_IDENT.out.mask, + SPOQC_HQCR_IDENT.out.mask_smoothed, + SPOQC_HQTR_QV.out.tmp, + SPOQC_HQTR_AC.out.tmp, + SPOQC_HQTR_METRICES.out.metrices, + SPOQC_HQTR_REFINEMENT.out.mask_smoothed, + SPOQC_HQTR_CLUSTERING.out.mask, + ch_files_hqpr_metrics, + ch_files_hqpr_masks_smoothed, + ch_files_hqpr_masks, + ) + + SPOQC_ANALYSIS_CATEGORY( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_path, + "analysis_category", + SPOQC_GENERAL.out.tmp, + SPOQC_BUBBLE.out.tmp, + SPOQC_DOUBLET.out.tmp, + SPOQC_VOID.out.tmp, + SPOQC_CELL.out.tmp, + SPOQC_HQCR_IDENT.out.mask, + SPOQC_HQCR_IDENT.out.mask_smoothed, + SPOQC_HQTR_QV.out.tmp, + SPOQC_HQTR_AC.out.tmp, + SPOQC_HQTR_METRICES.out.metrices, + SPOQC_HQTR_REFINEMENT.out.mask_smoothed, + SPOQC_HQTR_CLUSTERING.out.mask, + ch_files_hqpr_metrics, + ch_files_hqpr_masks_smoothed, + ch_files_hqpr_masks, + ) + + SPOQC_ANALYSIS_CLUSTER( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_annotation_path, + "analysis_cluster", + SPOQC_GENERAL.out.tmp, + SPOQC_BUBBLE.out.tmp, + SPOQC_DOUBLET.out.tmp, + SPOQC_VOID.out.tmp, + SPOQC_CELL.out.tmp, + SPOQC_HQCR_IDENT.out.mask, + SPOQC_HQCR_IDENT.out.mask_smoothed, + SPOQC_HQTR_QV.out.tmp, + SPOQC_HQTR_AC.out.tmp, + SPOQC_HQTR_METRICES.out.metrices, + SPOQC_HQTR_REFINEMENT.out.mask_smoothed, + SPOQC_HQTR_CLUSTERING.out.mask, + ch_files_hqpr_metrics, + ch_files_hqpr_masks_smoothed, + ch_files_hqpr_masks, + ) + + // Output ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + emit: + + ch_sd_raw = SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata // channel: [ val(meta), "spatialdata_raw" ] +} diff --git a/subworkflows/local/spoqc/meta.yml b/subworkflows/local/spoqc/meta.yml new file mode 100644 index 00000000..e3980312 --- /dev/null +++ b/subworkflows/local/spoqc/meta.yml @@ -0,0 +1,72 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/subworkflows/yaml-schema.json +name: "spoqc" +description: | + Builds a raw SpatialData object from a 10x Xenium bundle and runs the full spoQC quality-control + toolkit against it: general/bubble/doublet/void/cell/ambient QC, high-quality cell region (HQCR), + high-quality pixel region (HQPR) and high-quality transcript region (HQTR) mask + identification/clustering/refinement, mask combination, transcript/cell-cycle/model QC, and the + downstream overview/category/cluster analysis reports. +keywords: + - spatialdata + - xenium + - quality control + - spoqc + - hqcr + - hqpr + - hqtr +components: + - spatialdata/write + - spoQC/annotation + - spoQC/general + - spoQC/whole_slide + - spoQC/bubble + - spoQC/doublet + - spoQC/void + - spoQC/cell + - spoQC/ambient + - spoQC/hqcr_ident + - spoQC/hqcr_celltype + - spoQC/hqpr_metrices + - spoQC/hqpr_clustering + - spoQC/hqpr_refinement + - spoQC/hqpr_bounding_box + - spoQC/hqtr_metrices + - spoQC/hqtr_ac + - spoQC/hqtr_qv + - spoQC/hqtr_clustering + - spoQC/hqtr_refinement + - spoQC/hqtr_bounding_box + - spoQC/combine_masks + - spoQC/transcript + - spoQC/cellcycle + - spoQC/model + - spoQC/analysis_overview + - spoQC/analysis_category + - spoQC/analysis_cluster + # Not currently wired into this subworkflow (calls are commented out in main.nf): + # spoQC/hqpr_celltype, spoQC/hqtr_celltype, spoQC/marker +input: + - ch_bundle_path: + description: | + Directory containing the raw Xenium bundle + Structure: [ val(meta), path("path-to-xenium-bundle") ] + - ch_annotation_src: + description: | + Optional pre-existing cell-type annotation file. When empty/absent, SPOQC_ANNOTATION + generates one instead and it is mixed back into the downstream annotation channel. + Structure: [ path("path-to-annotation-file") ] or [ [] ] + - ch_stainings: + description: | + List of staining indices to iterate the HQPR steps over + Structure: [ [ 1, 2, ... ] ] +output: + - ch_sd_raw: + description: | + SpatialData object generated from the raw Xenium bundle. This is the only channel emitted + by the subworkflow; all spoQC QC steps write their reports/masks/parquet artifacts as + side-effect files under `report/` and `spoQC_tmp/` rather than emitting them further. + Structure: [ val(meta), path("spatialdata_raw") ] +authors: + - "@heylf" +maintainers: + - "@heylf" diff --git a/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf b/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf index fda9b46e..fb3d8879 100644 --- a/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf @@ -132,8 +132,8 @@ workflow PIPELINE_INITIALISATION { try { channel.fromList(samplesheetToList(input, "${projectDir}/assets/schema_input.json")) - .map { meta, bundle, image -> - return [[id: meta.id], bundle, image] + .map { meta, bundle, image, annotation, stainings -> + return [[id: meta.id], bundle, image, annotation, stainings] } .set { ch_samplesheet } diff --git a/workflows/spatialaxe.nf b/workflows/spatialaxe.nf index 643e737a..82465488 100644 --- a/workflows/spatialaxe.nf +++ b/workflows/spatialaxe.nf @@ -45,6 +45,7 @@ include { SPATIALDATA_WRITE_META_MERGE } from '../subworkflo // qc layer subworkflows include { OPT_FLIP_TRACK_STAT } from '../subworkflows/local/opt_flip_track_stat/main' +include { SPOQC } from '../subworkflows/local/spoqc/main' /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -94,6 +95,7 @@ workflow SPATIALAXE { stardist_nuclei_model tiling xeniumranger_only + spoqc main: @@ -137,7 +139,7 @@ workflow SPATIALAXE { if (workflow.profile.contains('test')) { // get sample, xenium bundle and image path - ch_input_untar = ch_samplesheet.map { meta, bundle, _image -> + ch_input_untar = ch_samplesheet.map { meta, bundle, _image, _annotation, _stainings -> return [meta, bundle] } @@ -152,8 +154,8 @@ workflow SPATIALAXE { ch_samplesheet .combine(ch_untar_outs, by: 0) - .map { meta, _url, image, test_bundle -> - return [meta, test_bundle, image] + .map { meta, _url, image, annotation, stainings, test_bundle -> + return [meta, test_bundle, image, annotation, stainings] } .set { ch_input } } @@ -164,8 +166,8 @@ workflow SPATIALAXE { if (buffer_samples) { ch_input = ch_samplesheet.buffer(size: buffer_size).map { buffered_sample -> - def (meta, bundle, tif) = buffered_sample[0] - tuple(meta, bundle, tif) + def (meta, bundle, tif, ann, sta) = buffered_sample[0] + tuple(meta, bundle, tif, ann, sta) } } else { @@ -187,7 +189,6 @@ workflow SPATIALAXE { "gene_panel.json", "metrics_summary.csv", "morphology.ome.tif", - "morphology_focus/", "nucleus_boundaries.csv.gz", "nucleus_boundaries.parquet", "transcripts.parquet", @@ -197,10 +198,11 @@ workflow SPATIALAXE { "analysis.tar.gz", "analysis.zarr.zip", "analysis_summary.html", + "morphology_focus/", ] // path to bundle input - ch_bundle_path = ch_input.map { meta, bundle, _image -> + ch_bundle_path = ch_input.map { meta, bundle, _image, _annotation, _stainings -> def bundle_path = file(bundle) if( !bundle_path.exists() ) { @@ -222,7 +224,7 @@ workflow SPATIALAXE { } // get transcript.parquet from the xenium bundle - ch_transcripts_file = ch_input.map { meta, bundle, _image -> + ch_transcripts_file = ch_input.map { meta, bundle, _image, _annotation, _stainings -> def transcripts_parquet = file( file(bundle).toUriString().replaceFirst(/\/$/, '') + "/transcripts.parquet", checkIfExists: true @@ -236,7 +238,7 @@ workflow SPATIALAXE { // v4+: morphology_focus/ch0000_dapi.ome.tif // v1.x: morphology_focus.ome.tif (single file at bundle root) // fallback: morphology.ome.tif (multi-Z stack, not ideal for Cellpose) - ch_morphology_image = ch_input.map { meta, bundle, image -> + ch_morphology_image = ch_input.map { meta, bundle, image, _annotation, _stainings -> def morphology_img if (image) { morphology_img = file(image) @@ -259,7 +261,7 @@ workflow SPATIALAXE { } // get experiment metdata - experiment.xenium - ch_exp_metadata = ch_input.map { meta, bundle, _image -> + ch_exp_metadata = ch_input.map { meta, bundle, _image, _annotation, _stainings -> def exp_metadata = file( file(bundle).toUriString().replaceFirst(/\/$/, '') + "/experiment.xenium", checkIfExists: true @@ -338,14 +340,14 @@ workflow SPATIALAXE { if (gene_panel) { def gene_panel_file = file(gene_panel, checkIfExists: true) - ch_gene_panel = ch_input.map { meta, _bundle, _image -> + ch_gene_panel = ch_input.map { meta, _bundle, _image, _annotation, _stainings -> return [meta, gene_panel_file] } } else { // gene panel to use if only --relabel_genes is provided - ch_gene_panel = ch_input.map { meta, bundle, _image -> + ch_gene_panel = ch_input.map { meta, bundle, _image, _annotation, _stainings -> def gene_panel_file = file( file(bundle).toUriString().replaceFirst(/\/$/, '') + "/gene_panel.json", checkIfExists: true @@ -354,6 +356,18 @@ workflow SPATIALAXE { } } + // get stainings + ch_stainings = ch_input.flatMap { _meta, _bundle, _image, _annotation, stainings -> + (stainings instanceof List) + ? stainings + : stainings.tokenize(';')*.toInteger() + } + + // get annotation + ch_annotation = ch_input.map { _meta, _bundle, _image, annotation, _stainings -> + annotation + } + /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPATIALAXE - RELABEL GENES @@ -610,6 +624,16 @@ workflow SPATIALAXE { ch_gene_synonyms, ) } + + + if (spoqc){ + SPOQC ( + ch_bundle_path, + ch_annotation, + ch_stainings, + ) + } + } From 40bef22c65293548f5db9b06383470fbbc8fd328 Mon Sep 17 00:00:00 2001 From: f641l Date: Thu, 23 Jul 2026 15:51:32 +0200 Subject: [PATCH 02/41] changing spatialdata_wrote.py --- bin/spatialdata_write.py | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/bin/spatialdata_write.py b/bin/spatialdata_write.py index 3a4723e0..12d845db 100755 --- a/bin/spatialdata_write.py +++ b/bin/spatialdata_write.py @@ -130,6 +130,17 @@ def main(): nucleus_labels = False cells_as_circles = False + # set sd variables based on the coordinate space + if args.coordinate_space == "all": + cells_labels = True + nucleus_labels = True + cells_boundaries = True + nucleus_boundaries = True + cells_as_circles = True + + print(f"[NOTE] Apply cells_boundaries {cells_boundaries}") + print(f"[NOTE] Apply nucleus_boundaries {nucleus_boundaries}") + if args.format == "xenium": sd_xenium_obj = xenium( args.bundle, From bab69c80f48144890e41e0073a3823343f6a996e Mon Sep 17 00:00:00 2001 From: f641l Date: Mon, 27 Jul 2026 12:31:07 +0200 Subject: [PATCH 03/41] all tests pass now for spoQC --- .../analysis_category/tests/main.nf.test.snap | 2394 ++++++++++ .../analysis_cluster/tests/main.nf.test.snap | 84 + .../analysis_overview/tests/main.nf.test.snap | 882 ++++ .../combine_masks/tests/main.nf.test.snap | 190 + .../spoQC/hqtr_ac/tests/main.nf.test.snap | 4190 +++++++++++++++++ .../hqtr_bounding_box/tests/main.nf.test.snap | 96 + .../hqtr_celltype/tests/main.nf.test.snap | 112 + .../hqtr_clustering/tests/main.nf.test.snap | 4178 ++++++++++++++++ .../hqtr_metrices/tests/main.nf.test.snap | 144 + .../spoQC/hqtr_qv/tests/main.nf.test.snap | 4182 ++++++++++++++++ .../hqtr_refinement/tests/main.nf.test.snap | 4170 ++++++++++++++++ 11 files changed, 20622 insertions(+) create mode 100644 modules/local/spoQC/analysis_category/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/analysis_cluster/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/analysis_overview/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/combine_masks/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqtr_ac/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqtr_bounding_box/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqtr_celltype/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqtr_clustering/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqtr_metrices/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqtr_qv/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/hqtr_refinement/tests/main.nf.test.snap diff --git a/modules/local/spoQC/analysis_category/tests/main.nf.test.snap b/modules/local/spoQC/analysis_category/tests/main.nf.test.snap new file mode 100644 index 00000000..0b065968 --- /dev/null +++ b/modules/local/spoQC/analysis_category/tests/main.nf.test.snap @@ -0,0 +1,2394 @@ +{ + "spoqc analysis_category stub": { + "content": [ + { + "0": [ + [ + + ] + ], + "1": [ + [ + "SPOQC_ANALYSIS_CATEGORY", + "spoqc", + "0.1.0" + ] + ], + "report": [ + [ + + ] + ], + "versions_spoqc": [ + [ + "SPOQC_ANALYSIS_CATEGORY", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-27T10:55:20.135516022", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.6" + } + }, + "spoqc analysis_category": { + "content": [ + { + "0": [ + [ + [ + "boxplot_border_scores.html:md5,996b5f1f0709d34429482fbb091c12b4", + 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--git a/modules/local/spoQC/analysis_category/tests/nextflow.config b/modules/local/spoQC/analysis_category/tests/nextflow.config index 32ea1afe..5e0e4508 100644 --- a/modules/local/spoQC/analysis_category/tests/nextflow.config +++ b/modules/local/spoQC/analysis_category/tests/nextflow.config @@ -2,7 +2,7 @@ process { resourceLimits = [ cpus: 8, - memory: '8.GB', + memory: '16.GB', time: '2.h', ] diff --git a/modules/local/spoQC/analysis_cluster/tests/nextflow.config b/modules/local/spoQC/analysis_cluster/tests/nextflow.config index 32ea1afe..5e0e4508 100644 --- a/modules/local/spoQC/analysis_cluster/tests/nextflow.config +++ b/modules/local/spoQC/analysis_cluster/tests/nextflow.config @@ -2,7 +2,7 @@ process { resourceLimits = [ cpus: 8, - memory: '8.GB', + memory: '16.GB', time: '2.h', ] diff --git a/modules/local/spoQC/analysis_overview/tests/nextflow.config b/modules/local/spoQC/analysis_overview/tests/nextflow.config index 32ea1afe..5e0e4508 100644 --- a/modules/local/spoQC/analysis_overview/tests/nextflow.config +++ b/modules/local/spoQC/analysis_overview/tests/nextflow.config @@ -2,7 +2,7 @@ process { resourceLimits = [ cpus: 8, - memory: '8.GB', + memory: '16.GB', time: '2.h', ] From 603637dd746eb06d0d4c2ae32ef53a49f7b01e14 Mon Sep 17 00:00:00 2001 From: f641l Date: Mon, 27 Jul 2026 12:32:59 +0200 Subject: [PATCH 05/41] update README --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index bb47242c..9bf464aa 100644 --- a/README.md +++ b/README.md @@ -48,6 +48,7 @@ The pipeline supports the following tools: - QC methods: - [MultiQC Xenium Extra Plugin](https://github.com/MultiQC/xenium-extra) - [OPT](https://github.com/JEFworks-Lab/off-target-probe-tracker) + - [spoQC](https://github.com/heylf/spoQC) ## Usage From 1112d7196cfa8f1b0277d267a5790ac3beab4fa8 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 31 Jul 2026 18:12:51 +0200 Subject: [PATCH 06/41] adding new module of the final report of spoQC and little changes to other spoQC modules --- .../analysis_category/tests/main.nf.test.snap | 2394 ----------------- .../analysis_cluster/tests/main.nf.test.snap | 84 - .../analysis_overview/tests/main.nf.test.snap | 882 ------ modules/local/spoQC/finalreport/main.nf | 78 + modules/local/spoQC/finalreport/meta.yml | 158 ++ .../spoQC/finalreport/tests/main.nf.test | 463 ++++ .../spoQC/finalreport/tests/main.nf.test.snap | 88 + .../spoQC/finalreport/tests/nextflow.config | 9 + modules/local/spoQC/hqpr_bounding_box/main.nf | 4 +- modules/local/spoQC/hqpr_celltype/main.nf | 4 +- modules/local/spoQC/hqpr_clustering/main.nf | 4 +- modules/local/spoQC/hqpr_metrices/main.nf | 4 +- modules/local/spoQC/hqpr_refinement/main.nf | 4 +- subworkflows/local/spoqc/main.nf | 71 +- 14 files changed, 870 insertions(+), 3377 deletions(-) delete mode 100644 modules/local/spoQC/analysis_category/tests/main.nf.test.snap delete mode 100644 modules/local/spoQC/analysis_cluster/tests/main.nf.test.snap delete mode 100644 modules/local/spoQC/analysis_overview/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/finalreport/main.nf create mode 100644 modules/local/spoQC/finalreport/meta.yml create mode 100644 modules/local/spoQC/finalreport/tests/main.nf.test create mode 100644 modules/local/spoQC/finalreport/tests/main.nf.test.snap create mode 100644 modules/local/spoQC/finalreport/tests/nextflow.config diff --git a/modules/local/spoQC/analysis_category/tests/main.nf.test.snap b/modules/local/spoQC/analysis_category/tests/main.nf.test.snap deleted file mode 100644 index 0b065968..00000000 --- a/modules/local/spoQC/analysis_category/tests/main.nf.test.snap +++ /dev/null @@ -1,2394 +0,0 @@ -{ - "spoqc analysis_category stub": { - "content": [ - { - "0": [ - [ - - ] - ], - "1": [ - [ - "SPOQC_ANALYSIS_CATEGORY", - "spoqc", - "0.1.0" - ] - ], - "report": [ - [ - - ] - ], - "versions_spoqc": [ - [ - "SPOQC_ANALYSIS_CATEGORY", - "spoqc", - "0.1.0" - ] - ] - } - ], - "timestamp": 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] - } - ], - "timestamp": "2026-07-27T12:24:04.154664499", - "meta": { - "nf-test": "0.9.5", - "nextflow": "26.04.6" - } - } -} \ No newline at end of file diff --git a/modules/local/spoQC/finalreport/main.nf b/modules/local/spoQC/finalreport/main.nf new file mode 100644 index 00000000..30e8c373 --- /dev/null +++ b/modules/local/spoQC/finalreport/main.nf @@ -0,0 +1,78 @@ +process SPOQC_FINALREPORT { + tag "${meta.id}" + label 'process_xl' + label 'spoqc' + + + container "heylf/spoqc:0.0.1" + + input: + tuple val(meta), path(spatialdata, stageAs: "*") + val(step) + path(report_general, stageAs: "report/generalqc") + path(report_doublet, stageAs: "report/doubletqc") + path(report_void, stageAs: "report/voidqc") + path(report_cell, stageAs: "report/cellqc") + path(report_hqcr_ident, stageAs: "report/hqcr/hqcr_ident") + path(report_hqcr_celltype, stageAs: "report/hqcr/hqcr_celltype") + path(report_hqpr_metrices, stageAs: "report/hqpr/hqpr_metrices/*") + path(report_hqpr_clustering, stageAs: "report/hqpr/hqpr_clustering/*") + path(report_hqpr_refinement, stageAs: "report/hqpr/hqpr_refinement/*") + path(report_hqpr_bounding_box, stageAs: "report/hqpr/hqpr_bounding_box/*") + // path(report_hqpr_celltype, stageAs: "report/hqpr/*/hqpr_celltype/*") + path(report_hqtr_metrices, stageAs: "report/hqtr/hqtr_metrices") + path(report_hqtr_ac, stageAs: "report/hqtr/hqtr_ac") + path(report_hqtr_qv, stageAs: "report/hqtr/hqtr_qv") + path(report_hqtr_clustering, stageAs: "report/hqtr/hqtr_clustering") + path(report_hqtr_refinement, stageAs: "report/hqtr/hqtr_refinement") + path(report_hqtr_bounding_box, stageAs: "report/hqtr/hqtr_bounding_box") + // path(report_hqtr_celltype, stageAs: "report/hqtr/hqtr_celltype") + path(report_combine_masks, stageAs: "report/combine_masks/*") + path(report_transcript, stageAs: "report/transcriptqc") + path(report_cellcycle, stageAs: "report/cellcycleqc") + path(report_model, stageAs: "report/modelqc") + path(report_analysis_overview, stageAs: "report/analysis/overview") + path(report_analysis_category, stageAs: "report/analysis/category") + path(report_analysis_cluster, stageAs: "report/analysis/cluster") + + output: + path("report/report.html") , emit: report + path("report/report_part1.html") , emit: report_part1 + path("report/report_part2.html") , emit: report_part2 + tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc + + when: + task.ext.when == null || task.ext.when + + script: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_FINALREPORT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + def args = task.ext.args ?: '' + + """ + python3 -m spoqc \\ + -i ${spatialdata} \\ + -o ./ \\ + -t ./spoQC_tmp/ \\ + -n ${task.cpus} \\ + -s ${step} \\ + --dataset ${meta.id} \\ + ${args} + """ + + stub: + // Exit if running this module with -profile conda / -profile mamba + if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { + error("SPOQC_FINALREPORT module does not support Conda. Please use Docker / Singularity / Podman instead.") + } + + """ + mkdir -p report/ + touch report/report.html + touch report/report_part1.html + touch report/report_part2.html + """ +} diff --git a/modules/local/spoQC/finalreport/meta.yml b/modules/local/spoQC/finalreport/meta.yml new file mode 100644 index 00000000..8188feae --- /dev/null +++ b/modules/local/spoQC/finalreport/meta.yml @@ -0,0 +1,158 @@ +name: spoqc_finalreport +description: | + Generate the final combined spoQC HTML report, combining all upstream spoQC outputs. +keywords: + - spatial transcriptomics + - quality control + - spoqc + - xenium + - downstream analysis +tools: + - "spoqc": + description: | + spoQC is a custom quality-control toolkit for spatial single-cell and single-transcript + segmentation QC of spatial omics (10x Xenium) data, operating on SpatialData objects. + homepage: https://github.com/heylf/spoQC + documentation: https://github.com/heylf/spoQC + tool_dev_url: + licence: [] +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample' ] + - spatialdata: + type: folder + description: Path to the SpatialData zarr store to run QC on + - step: + type: string + description: Name of the spoQC step to run, passed to `spoqc -s` + - report_general: + type: directory + description: Report fragment from SPOQC_GENERAL + pattern: "report/generalqc" + - report_doublet: + type: directory + description: Report fragment from SPOQC_DOUBLET + pattern: "report/doubletqc" + - report_void: + type: directory + description: Report fragment from SPOQC_VOID + pattern: "report/voidqc" + - report_cell: + type: directory + description: Report fragment from SPOQC_CELL + pattern: "report/cellqc" + - report_hqcr_ident: + type: directory + description: Report fragment from SPOQC_HQCR_IDENT + pattern: "report/hqcr/hqcr_ident" + - report_hqcr_celltype: + type: directory + description: Report fragment from SPOQC_HQCR_CELLTYPE + pattern: "report/hqcr/hqcr_celltype" + - report_hqpr_metrices: + type: directory + description: Collected per-staining report fragments from SPOQC_HQPR_METRICES + pattern: "report/hqpr/metrices/*" + - report_hqpr_clustering: + type: directory + description: Collected per-staining report fragments from SPOQC_HQPR_CLUSTERING + pattern: "report/hqpr/clustering/*" + - report_hqpr_refinement: + type: directory + description: Collected per-staining report fragments from SPOQC_HQPR_REFINEMENT + pattern: "report/hqpr/refinement/*" + - report_hqpr_bounding_box: + type: directory + description: Collected per-staining report fragments from SPOQC_HQPR_BOUNDING_BOX + pattern: "report/hqpr/bounding_box/*" + - report_hqtr_metrices: + type: directory + description: Report fragment from SPOQC_HQTR_METRICES + pattern: "report/hqtr/hqtr_metrices" + - report_hqtr_ac: + type: directory + description: Report fragment from SPOQC_HQTR_AC + pattern: "report/hqtr/hqtr_ac" + - report_hqtr_qv: + type: directory + description: Report fragment from SPOQC_HQTR_QV + pattern: "report/hqtr/hqtr_qv" + - report_hqtr_clustering: + type: directory + description: Report fragment from SPOQC_HQTR_CLUSTERING + pattern: "report/hqtr/hqtr_clustering" + - report_hqtr_refinement: + type: directory + description: Report fragment from SPOQC_HQTR_REFINEMENT + pattern: "report/hqtr/hqtr_refinement" + - report_hqtr_bounding_box: + type: directory + description: Report fragment from SPOQC_HQTR_BOUNDING_BOX + pattern: "report/hqtr/hqtr_bounding_box" + - report_combine_masks: + type: directory + description: Collected per-staining report fragments from SPOQC_COMBINE_MASKS + pattern: "report/combine_masks/*" + - report_transcript: + type: directory + description: Report fragment from SPOQC_TRANSCRIPT + pattern: "report/transcriptqc" + - report_cellcycle: + type: directory + description: Report fragment from SPOQC_CELLCYCLE + pattern: "report/cellcycleqc" + - report_model: + type: directory + description: Report fragment from SPOQC_MODEL + pattern: "report/modelqc" + - report_analysis_overview: + type: directory + description: Report fragment from SPOQC_ANALYSIS_OVERVIEW + pattern: "report/analysis/overview" + - report_analysis_category: + type: directory + description: Report fragment from SPOQC_ANALYSIS_CATEGORY + pattern: "report/analysis/category" + - report_analysis_cluster: + type: directory + description: Report fragment from SPOQC_ANALYSIS_CLUSTER + pattern: "report/analysis/cluster" +output: + - report: + type: file + description: Final combined spoQC HTML report + pattern: "report/report.html" + - report_part1: + type: file + description: First part of the final combined spoQC HTML report + pattern: "report/report_part1.html" + - report_part2: + type: file + description: Second part of the final combined spoQC HTML report + pattern: "report/report_part2.html" + - versions_spoqc: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +topics: + versions: + - - "${task.process}": + type: string + description: The process the versions were collected from + - spoqc: + type: string + description: The tool name + - "spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown": + type: eval + description: The expression to obtain the version of the tool +authors: + - "@heylf" diff --git a/modules/local/spoQC/finalreport/tests/main.nf.test b/modules/local/spoQC/finalreport/tests/main.nf.test new file mode 100644 index 00000000..519423d5 --- /dev/null +++ b/modules/local/spoQC/finalreport/tests/main.nf.test @@ -0,0 +1,463 @@ +nextflow_process { + + name "Test Process SPOQC_FINALREPORT" + script "../main.nf" + process "SPOQC_FINALREPORT" + config "./nextflow.config" + + tag "modules" + tag "modules_local" + tag "spoqc" + tag "spoqc/finalreport" + + setup { + run("UNTAR") { + script "modules/nf-core/untar/main.nf" + process { + """ + input[0] = [[], file('https://raw.githubusercontent.com/nf-core/test-datasets/spatialaxe/xenium_bundle.tar.gz', checkIfExists: true)] + """ + } + } + + run("SPATIALDATA_WRITE") { + script "modules/local/spatialdata/write/main.nf" + process { + """ + input[0] = channel.of([ + [id: "test_run_spoqc"], + ]).combine(UNTAR.out.untar.map { it[1] }) + input[1] = "spatialdata_raw" + input[2] = [] + input[3] = "all" + """ + } + } + + run("SPOQC_ANNOTATION") { + script "modules/local/spoQC/annotation/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = [] + input[2] = "annotation" + """ + } + } + + run("SPOQC_GENERAL") { + script "modules/local/spoQC/general/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "generalqc" + """ + } + } + + run("SPOQC_BUBBLE") { + script "modules/local/spoQC/bubble/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "bubbleqc" + """ + } + } + + run("SPOQC_DOUBLET") { + script "modules/local/spoQC/doublet/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "doubletqc" + """ + } + } + + run("SPOQC_VOID") { + script "modules/local/spoQC/void/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "voidqc" + """ + } + } + + run("SPOQC_CELL") { + script "modules/local/spoQC/cell/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellqc" + """ + } + } + + run("SPOQC_HQCR_IDENT") { + script "modules/local/spoQC/hqcr_ident/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqcr_ident" + input[2] = SPOQC_GENERAL.out.tmp + input[3] = SPOQC_BUBBLE.out.tmp + input[4] = SPOQC_DOUBLET.out.tmp + input[5] = SPOQC_VOID.out.tmp + input[6] = SPOQC_CELL.out.tmp + """ + } + } + + run("SPOQC_HQCR_CELLTYPE") { + script "modules/local/spoQC/hqcr_celltype/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "hqcr_celltype" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + """ + } + } + + run("SPOQC_AMBIENT") { + script "modules/local/spoQC/ambient/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "ambientqc" + """ + } + } + + run("SPOQC_HQTR_METRICES") { + script "modules/local/spoQC/hqtr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_metrices" + """ + } + } + + run("SPOQC_HQTR_QV") { + script "modules/local/spoQC/hqtr_qv/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_qv" + """ + } + } + + run("SPOQC_HQTR_AC") { + script "modules/local/spoQC/hqtr_ac/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_ac" + input[2] = SPOQC_AMBIENT.out.tmp + """ + } + } + + run("SPOQC_HQTR_CLUSTERING") { + script "modules/local/spoQC/hqtr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_clustering" + input[2] = SPOQC_HQTR_METRICES.out.metrices + input[3] = SPOQC_HQTR_QV.out.tmp + input[4] = SPOQC_HQTR_AC.out.tmp + """ + } + } + + run("SPOQC_HQTR_REFINEMENT") { + script "modules/local/spoQC/hqtr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_refinement" + input[2] = SPOQC_HQTR_CLUSTERING.out.mask + """ + } + } + + run("SPOQC_HQTR_BOUNDING_BOX") { + script "modules/local/spoQC/hqtr_bounding_box/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "hqtr_bounding_box" + input[2] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + """ + } + } + + run("SPOQC_HQPR_METRICES") { + script "modules/local/spoQC/hqpr_metrices/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = 0 + input[2] = "hqpr_metrices" + """ + } + } + + run("SPOQC_HQPR_CLUSTERING") { + script "modules/local/spoQC/hqpr_clustering/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_clustering" + input[2] = SPOQC_HQPR_METRICES.out.metrices + """ + } + } + + run("SPOQC_HQPR_REFINEMENT") { + script "modules/local/spoQC/hqpr_refinement/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_refinement" + input[2] = SPOQC_HQPR_CLUSTERING.out.mask + """ + } + } + + run("SPOQC_HQPR_BOUNDING_BOX") { + script "modules/local/spoQC/hqpr_bounding_box/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "hqpr_bounding_box" + input[2] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed + """ + } + } + + run("SPOQC_COMBINE_MASKS") { + script "modules/local/spoQC/combine_masks/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata.combine(channel.of(0)) + input[1] = "combine_masks" + input[2] = SPOQC_HQCR_IDENT.out.mask.combine(channel.of(0)) + input[3] = SPOQC_HQPR_CLUSTERING.out.mask + input[4] = SPOQC_HQTR_CLUSTERING.out.mask.combine(channel.of(0)) + input[5] = SPOQC_HQCR_IDENT.out.mask_smoothed.combine(channel.of(0)) + input[6] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed + input[7] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed.combine(channel.of(0)) + """ + } + } + + run("SPOQC_TRANSCRIPT") { + script "modules/local/spoQC/transcript/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "transcriptqc" + """ + } + } + + run("SPOQC_CELLCYCLE") { + script "modules/local/spoQC/cellcycle/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "cellcycleqc" + """ + } + } + + run("SPOQC_MODEL") { + script "modules/local/spoQC/model/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "modelqc" + """ + } + } + + run("SPOQC_ANALYSIS_OVERVIEW") { + script "modules/local/spoQC/analysis_overview/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_overview" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + run("SPOQC_ANALYSIS_CATEGORY") { + script "modules/local/spoQC/analysis_category/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_category" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + + run("SPOQC_ANALYSIS_CLUSTER") { + script "modules/local/spoQC/analysis_cluster/main.nf" + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = SPOQC_ANNOTATION.out.annotation + input[2] = "analysis_cluster" + input[3] = SPOQC_GENERAL.out.tmp + input[4] = SPOQC_BUBBLE.out.tmp + input[5] = SPOQC_DOUBLET.out.tmp + input[6] = SPOQC_VOID.out.tmp + input[7] = SPOQC_CELL.out.tmp + input[8] = SPOQC_HQCR_IDENT.out.mask + input[9] = SPOQC_HQCR_IDENT.out.mask_smoothed + input[10] = SPOQC_HQTR_QV.out.tmp + input[11] = SPOQC_HQTR_AC.out.tmp + input[12] = SPOQC_HQTR_METRICES.out.metrices + input[13] = SPOQC_HQTR_REFINEMENT.out.mask_smoothed + input[14] = SPOQC_HQTR_CLUSTERING.out.mask + input[15] = SPOQC_HQPR_METRICES.out.metrices.map { _staining, p -> p }.collect() + input[16] = SPOQC_HQPR_REFINEMENT.out.mask_smoothed.map { _staining, p -> p }.collect() + input[17] = SPOQC_HQPR_CLUSTERING.out.mask.map { _staining, p -> p }.collect() + """ + } + } + } + + test("spoqc finalreport") { + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "final_report" + input[2] = SPOQC_GENERAL.out.report + input[3] = SPOQC_DOUBLET.out.report + input[4] = SPOQC_VOID.out.report + input[5] = SPOQC_CELL.out.report + input[6] = SPOQC_HQCR_IDENT.out.report + input[7] = SPOQC_HQCR_CELLTYPE.out.report + input[8] = SPOQC_HQPR_METRICES.out.report.map { _staining, p -> p }.collect() + input[9] = SPOQC_HQPR_CLUSTERING.out.report.map { _staining, p -> p }.collect() + input[10] = SPOQC_HQPR_REFINEMENT.out.report.map { _staining, p -> p }.collect() + input[11] = SPOQC_HQPR_BOUNDING_BOX.out.report.map { _staining, p -> p }.collect() + input[12] = SPOQC_HQTR_METRICES.out.report + input[13] = SPOQC_HQTR_AC.out.report + input[14] = SPOQC_HQTR_QV.out.report + input[15] = SPOQC_HQTR_CLUSTERING.out.report + input[16] = SPOQC_HQTR_REFINEMENT.out.report + input[17] = SPOQC_HQTR_BOUNDING_BOX.out.report + input[18] = SPOQC_COMBINE_MASKS.out.report.collect() + input[19] = SPOQC_TRANSCRIPT.out.report + input[20] = SPOQC_CELLCYCLE.out.report + input[21] = SPOQC_MODEL.out.report + input[22] = SPOQC_ANALYSIS_OVERVIEW.out.report + input[23] = SPOQC_ANALYSIS_CATEGORY.out.report + input[24] = SPOQC_ANALYSIS_CLUSTER.out.report + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("spoqc finalreport stub") { + + options "-stub" + + when { + process { + """ + input[0] = SPATIALDATA_WRITE.out.spatialdata + input[1] = "final_report" + input[2] = SPOQC_GENERAL.out.report + input[3] = SPOQC_DOUBLET.out.report + input[4] = SPOQC_VOID.out.report + input[5] = SPOQC_CELL.out.report + input[6] = SPOQC_HQCR_IDENT.out.report + input[7] = SPOQC_HQCR_CELLTYPE.out.report + input[8] = SPOQC_HQPR_METRICES.out.report.map { _staining, p -> p }.collect() + input[9] = SPOQC_HQPR_CLUSTERING.out.report.map { _staining, p -> p }.collect() + input[10] = SPOQC_HQPR_REFINEMENT.out.report.map { _staining, p -> p }.collect() + input[11] = SPOQC_HQPR_BOUNDING_BOX.out.report.map { _staining, p -> p }.collect() + input[12] = SPOQC_HQTR_METRICES.out.report + input[13] = SPOQC_HQTR_AC.out.report + input[14] = SPOQC_HQTR_QV.out.report + input[15] = SPOQC_HQTR_CLUSTERING.out.report + input[16] = SPOQC_HQTR_REFINEMENT.out.report + input[17] = SPOQC_HQTR_BOUNDING_BOX.out.report + input[18] = SPOQC_COMBINE_MASKS.out.report.collect() + input[19] = SPOQC_TRANSCRIPT.out.report + input[20] = SPOQC_CELLCYCLE.out.report + input[21] = SPOQC_MODEL.out.report + input[22] = SPOQC_ANALYSIS_OVERVIEW.out.report + input[23] = SPOQC_ANALYSIS_CATEGORY.out.report + input[24] = SPOQC_ANALYSIS_CLUSTER.out.report + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/local/spoQC/finalreport/tests/main.nf.test.snap b/modules/local/spoQC/finalreport/tests/main.nf.test.snap new file mode 100644 index 00000000..dbbe5186 --- /dev/null +++ b/modules/local/spoQC/finalreport/tests/main.nf.test.snap @@ -0,0 +1,88 @@ +{ + "spoqc finalreport": { + "content": [ + { + "0": [ + "report.html:md5,1d23046fd5ff12a3b221c61820b05f14" + ], + "1": [ + "report_part1.html:md5,c26aabf93e17a7184c200fcafedf8155" + ], + "2": [ + "report_part2.html:md5,06b2993eb6eb7d0728aa4927b36cc637" + ], + "3": [ + [ + "SPOQC_FINALREPORT", + "spoqc", + "0.1.0" + ] + ], + "report": [ + "report.html:md5,1d23046fd5ff12a3b221c61820b05f14" + ], + "report_part1": [ + "report_part1.html:md5,c26aabf93e17a7184c200fcafedf8155" + ], + "report_part2": [ + "report_part2.html:md5,06b2993eb6eb7d0728aa4927b36cc637" + ], + "versions_spoqc": [ + [ + "SPOQC_FINALREPORT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-31T18:03:50.950157578", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.6" + } + }, + "spoqc finalreport stub": { + "content": [ + { + "0": [ + "report.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "1": [ + "report_part1.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "2": [ + "report_part2.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "3": [ + [ + "SPOQC_FINALREPORT", + "spoqc", + "0.1.0" + ] + ], + "report": [ + "report.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "report_part1": [ + "report_part1.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "report_part2": [ + "report_part2.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ], + "versions_spoqc": [ + [ + "SPOQC_FINALREPORT", + "spoqc", + "0.1.0" + ] + ] + } + ], + "timestamp": "2026-07-31T18:11:52.965248252", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.6" + } + } +} \ No newline at end of file diff --git a/modules/local/spoQC/finalreport/tests/nextflow.config b/modules/local/spoQC/finalreport/tests/nextflow.config new file mode 100644 index 00000000..5e0e4508 --- /dev/null +++ b/modules/local/spoQC/finalreport/tests/nextflow.config @@ -0,0 +1,9 @@ +process { + + resourceLimits = [ + cpus: 8, + memory: '16.GB', + time: '2.h', + ] + +} \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_bounding_box/main.nf b/modules/local/spoQC/hqpr_bounding_box/main.nf index eedc5154..6d091d6e 100644 --- a/modules/local/spoQC/hqpr_bounding_box/main.nf +++ b/modules/local/spoQC/hqpr_bounding_box/main.nf @@ -13,7 +13,7 @@ process SPOQC_HQPR_BOUNDING_BOX { tuple val(staining), path(mask, stageAs: "spoQC_tmp/*") output: - tuple val(staining), path("report/hqpr/${staining}/hqpr_bounding_box") , emit: report + tuple val(staining), path("report/hqpr/hqpr_bounding_box/${staining}") , emit: report tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc when: @@ -46,7 +46,7 @@ process SPOQC_HQPR_BOUNDING_BOX { } """ - mkdir -p report/hqpr/${staining}/hqpr_bounding_box + mkdir -p report/hqpr/hqpr_bounding_box/${staining} """ } diff --git a/modules/local/spoQC/hqpr_celltype/main.nf b/modules/local/spoQC/hqpr_celltype/main.nf index 887edecf..8f418292 100644 --- a/modules/local/spoQC/hqpr_celltype/main.nf +++ b/modules/local/spoQC/hqpr_celltype/main.nf @@ -19,7 +19,7 @@ process SPOQC_HQPR_CELLTYPE { tuple val(staining), path(mask, stageAs: "spoQC_tmp/*"), path(mask_smoothed, stageAs: "spoQC_tmp/*") output: - path("report/hqpr/${staining}/hqpr_celltype") , emit: report + path("report/hqpr/hqpr_celltype/${staining}") , emit: report tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc when: @@ -54,7 +54,7 @@ process SPOQC_HQPR_CELLTYPE { } """ - mkdir -p report/hqpr/${staining}/hqpr_celltype + mkdir -p report/hqpr/hqpr_celltype/${staining} """ } diff --git a/modules/local/spoQC/hqpr_clustering/main.nf b/modules/local/spoQC/hqpr_clustering/main.nf index 5d975aaf..6c74a568 100644 --- a/modules/local/spoQC/hqpr_clustering/main.nf +++ b/modules/local/spoQC/hqpr_clustering/main.nf @@ -13,7 +13,7 @@ process SPOQC_HQPR_CLUSTERING { tuple val(staining), path(metrices, stageAs: "spoQC_tmp/metrices/hqpr/*") output: - tuple val(staining), path("report/hqpr/${staining}/hqpr_clustering") , emit: report + tuple val(staining), path("report/hqpr/hqpr_clustering/${staining}") , emit: report tuple val(staining), path("spoQC_tmp/hqpr_${staining}_output_mask_raw") , emit: mask tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc @@ -47,7 +47,7 @@ process SPOQC_HQPR_CLUSTERING { } """ - mkdir -p report/hqpr/${staining}/hqpr_clustering + mkdir -p report/hqpr/hqpr_clustering/${staining} mkdir -p spoQC_tmp/hqpr_${staining}_output_mask_raw """ diff --git a/modules/local/spoQC/hqpr_metrices/main.nf b/modules/local/spoQC/hqpr_metrices/main.nf index 2602aecb..da697ed8 100644 --- a/modules/local/spoQC/hqpr_metrices/main.nf +++ b/modules/local/spoQC/hqpr_metrices/main.nf @@ -13,7 +13,7 @@ process SPOQC_HQPR_METRICES { val(step) output: - tuple val(staining), path("report/hqpr/${staining}/hqpr_metrices") , emit: report + tuple val(staining), path("report/hqpr/hqpr_metrices/${staining}") , emit: report tuple val(staining), path("spoQC_tmp/metrices/hqpr/${staining}") , emit: metrices path("report/staining_log.txt") , emit: staininglog tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc @@ -48,7 +48,7 @@ process SPOQC_HQPR_METRICES { } """ - mkdir -p report/hqpr/${staining}/hqpr_metrices + mkdir -p report/hqpr/hqpr_metrices/${staining} mkdir -p spoQC_tmp/metrices/hqpr/${staining} mkdir -p report touch report/staining_log.txt diff --git a/modules/local/spoQC/hqpr_refinement/main.nf b/modules/local/spoQC/hqpr_refinement/main.nf index 6ad46d2f..bd3703ec 100644 --- a/modules/local/spoQC/hqpr_refinement/main.nf +++ b/modules/local/spoQC/hqpr_refinement/main.nf @@ -13,7 +13,7 @@ process SPOQC_HQPR_REFINEMENT { tuple val(staining), path(mask, stageAs: "spoQC_tmp/*") output: - tuple val(staining), path("report/hqpr/${staining}/hqpr_refinement") , emit: report + tuple val(staining), path("report/hqpr/hqpr_refinement/${staining}") , emit: report tuple val(staining), path("spoQC_tmp/hqpr_${staining}_output_mask_smoothed_raw") , emit: mask_smoothed tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc @@ -47,7 +47,7 @@ process SPOQC_HQPR_REFINEMENT { } """ - mkdir -p report/hqpr/${staining}/hqpr_refinement + mkdir -p report/hqpr/hqpr_refinement/${staining} mkdir -p spoQC_tmp/hqpr_${staining}_output_mask_smoothed_raw """ diff --git a/subworkflows/local/spoqc/main.nf b/subworkflows/local/spoqc/main.nf index bb54c6d0..2dcf5b93 100644 --- a/subworkflows/local/spoqc/main.nf +++ b/subworkflows/local/spoqc/main.nf @@ -39,6 +39,8 @@ include { SPOQC_MARKER } from '../../../modules/local/spoQC/marker/main' include { SPOQC_ANALYSIS_OVERVIEW } from '../../../modules/local/spoQC/analysis_overview/main' include { SPOQC_ANALYSIS_CATEGORY } from '../../../modules/local/spoQC/analysis_category/main' include { SPOQC_ANALYSIS_CLUSTER } from '../../../modules/local/spoQC/analysis_cluster/main' +// spoQC final report +include { SPOQC_FINALREPORT } from '../../../modules/local/spoQC/finalreport/main' workflow SPOQC { @@ -81,7 +83,9 @@ workflow SPOQC { ch_coordinate_space, ) - // General ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // General + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // keep only actual, usable annotations (non-null and not an empty list) ch_annotation_present = ch_annotation_src.filter { a -> a && (!(a instanceof List) || !a.isEmpty()) } @@ -130,7 +134,9 @@ workflow SPOQC { "ambientqc", ) - // HQCR ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // HQCR + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPOQC_HQCR_IDENT( SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, @@ -153,7 +159,9 @@ workflow SPOQC { SPOQC_CELL.out.tmp, ) - // HQPR ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // HQPR + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPOQC_HQPR_METRICES( SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, @@ -197,7 +205,9 @@ workflow SPOQC { // ch_masks_joined, // ) - // HQTR ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // HQTR + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPOQC_HQTR_METRICES( SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, "hqtr_metrices", @@ -247,7 +257,9 @@ workflow SPOQC { // SPOQC_HQTR_REFINEMENT.out.mask_smoothed, // ) - // Downstream ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // Downstream + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPOQC_COMBINE_MASKS( ch_spatialdata_stainings, @@ -282,7 +294,9 @@ workflow SPOQC { // "markerqc" // ) - // Analysis ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // Analysis + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ch_files_hqpr_metrics = SPOQC_HQPR_METRICES.out.metrices .map { _idx, p -> p } @@ -359,7 +373,50 @@ workflow SPOQC { ch_files_hqpr_masks, ) - // Output ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // Final Report + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + + // collect the per-staining report fragments into a single list per sample + ch_report_hqpr_metrices = SPOQC_HQPR_METRICES.out.report.map { _staining, p -> p }.collect() + ch_report_hqpr_clustering = SPOQC_HQPR_CLUSTERING.out.report.map { _staining, p -> p }.collect() + ch_report_hqpr_refinement = SPOQC_HQPR_REFINEMENT.out.report.map { _staining, p -> p }.collect() + ch_report_hqpr_bounding_box = SPOQC_HQPR_BOUNDING_BOX.out.report.map { _staining, p -> p }.collect() + ch_report_combine_masks = SPOQC_COMBINE_MASKS.out.report.collect() + + SPOQC_FINALREPORT( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + "final_report", + SPOQC_GENERAL.out.report, + SPOQC_DOUBLET.out.report, + SPOQC_VOID.out.report, + SPOQC_CELL.out.report, + SPOQC_HQCR_IDENT.out.report, + SPOQC_HQCR_CELLTYPE.out.report, + ch_report_hqpr_metrices, + ch_report_hqpr_clustering, + ch_report_hqpr_refinement, + ch_report_hqpr_bounding_box, + // SPOQC_HQPR_CELLTYPE.out.report, + SPOQC_HQTR_METRICES.out.report, + SPOQC_HQTR_AC.out.report, + SPOQC_HQTR_QV.out.report, + SPOQC_HQTR_CLUSTERING.out.report, + SPOQC_HQTR_REFINEMENT.out.report, + SPOQC_HQTR_BOUNDING_BOX.out.report, + // SPOQC_HQTR_CELLTYPE.out.report, + ch_report_combine_masks, + SPOQC_TRANSCRIPT.out.report, + SPOQC_CELLCYCLE.out.report, + SPOQC_MODEL.out.report, + SPOQC_ANALYSIS_OVERVIEW.out.report, + SPOQC_ANALYSIS_CATEGORY.out.report, + SPOQC_ANALYSIS_CLUSTER.out.report, + ) + + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + // Output + // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ emit: From 374a9b6bb8c56d88953f02066678e4bc07ba559a Mon Sep 17 00:00:00 2001 From: f641l Date: Thu, 6 Aug 2026 15:46:13 +0200 Subject: [PATCH 07/41] change to final_report main.nf and meta.yml --- modules/local/spoQC/finalreport/main.nf | 4 ---- modules/local/spoQC/finalreport/meta.yml | 8 -------- 2 files changed, 12 deletions(-) diff --git a/modules/local/spoQC/finalreport/main.nf b/modules/local/spoQC/finalreport/main.nf index 30e8c373..c9640017 100644 --- a/modules/local/spoQC/finalreport/main.nf +++ b/modules/local/spoQC/finalreport/main.nf @@ -37,8 +37,6 @@ process SPOQC_FINALREPORT { output: path("report/report.html") , emit: report - path("report/report_part1.html") , emit: report_part1 - path("report/report_part2.html") , emit: report_part2 tuple val("${task.process}"), val('spoqc'), eval("spoqc --version 2>&1 | grep -oP '\\d+\\.\\d+\\.\\d+' || echo unknown"), topic: versions, emit: versions_spoqc when: @@ -72,7 +70,5 @@ process SPOQC_FINALREPORT { """ mkdir -p report/ touch report/report.html - touch report/report_part1.html - touch report/report_part2.html """ } diff --git a/modules/local/spoQC/finalreport/meta.yml b/modules/local/spoQC/finalreport/meta.yml index 8188feae..b29e2b4e 100644 --- a/modules/local/spoQC/finalreport/meta.yml +++ b/modules/local/spoQC/finalreport/meta.yml @@ -125,14 +125,6 @@ output: type: file description: Final combined spoQC HTML report pattern: "report/report.html" - - report_part1: - type: file - description: First part of the final combined spoQC HTML report - pattern: "report/report_part1.html" - - report_part2: - type: file - description: Second part of the final combined spoQC HTML report - pattern: "report/report_part2.html" - versions_spoqc: - - "${task.process}": type: string From ac3a289ff152d86e0651b37c9fdc4f52a566f18e Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 10:42:14 +0200 Subject: [PATCH 08/41] adding unzip to pipeline for a bigger test data set --- modules.json | 2 +- modules/nf-core/unzip/main.nf | 57 +++++++++++++------ modules/nf-core/unzip/meta.yml | 35 ++++++++---- modules/nf-core/unzip/tests/main.nf.test | 4 +- modules/nf-core/unzip/tests/main.nf.test.snap | 54 ++++++------------ 5 files changed, 87 insertions(+), 65 deletions(-) diff --git a/modules.json b/modules.json index 9dd460ec..3e2f7a45 100644 --- a/modules.json +++ b/modules.json @@ -63,7 +63,7 @@ }, "unzip": { "branch": "master", - "git_sha": "4dd9d8439a429c7ee566e0e2347f76ddeef27e66", + "git_sha": "1c43a7e22f04cf19c9f9d3de7e7e5a3addd9382a", "installed_by": [ "modules" ], diff --git a/modules/nf-core/unzip/main.nf b/modules/nf-core/unzip/main.nf index d9417fb3..d0dc6f31 100644 --- a/modules/nf-core/unzip/main.nf +++ b/modules/nf-core/unzip/main.nf @@ -3,16 +3,16 @@ process UNZIP { label 'process_single' conda "${moduleDir}/environment.yml" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + container "${ workflow.containerEngine in ['singularity', 'apptainer'] && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/p7zip:16.02' : - 'biocontainers/p7zip:16.02' }" + 'quay.io/biocontainers/p7zip:16.02' }" input: tuple val(meta), path(archive) output: tuple val(meta), path("${prefix}/"), emit: unzipped_archive - path "versions.yml" , emit: versions + tuple val("${task.process}"), val('7za'), eval("7za 2>&1 | sed -n '2s/^.* \\([0-9.]*\\) .*/\\1/p'"), topic: versions, emit: versions_7za when: task.ext.when == null || task.ext.when @@ -27,24 +27,49 @@ process UNZIP { -o"${prefix}"/ \\ $args \\ $archive - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - 7za: \$(echo \$(7za --help) | sed 's/.*p7zip Version //; s/(.*//') - END_VERSIONS """ stub: if ( archive instanceof List && archive.name.size > 1 ) { error "[UNZIP] error: 7za only accepts a single archive as input. Please check module input." } prefix = task.ext.prefix ?: ( meta.id ? "${meta.id}" : archive.baseName) """ - mkdir -p "${prefix}/morphology_focus" - touch "${prefix}/transcripts.parquet" - touch "${prefix}/morphology_focus/morphology_focus_0000.ome.tif" - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - 7za: \$(echo \$(7za --help) | sed 's/.*p7zip Version //; s/(.*//') - END_VERSIONS + mkdir "${prefix}" + + ## Emit a valid empty file. nf-test's snapshot md5 path decompresses .gz files, + ## so a 0-byte .gz (from `touch`) throws EOF in GZIPInputStream and the snapshot + ## falls back to dumping non-deterministic File metadata (freeSpace, etc). + ## `: | gzip -n` produces a 20-byte deterministic empty gzip that md5s consistently. + emit_stub() { + local f="\$1" + if [[ "\$f" == *.gz ]]; then + : | gzip -n > "\$f" + else + touch "\$f" + fi + } + + ## Dry-run listing the archive contents (7za is the only archiver guaranteed to be + ## present) and mirror its structure under prefix, matching the unstripped layout + ## that `7za x` produces in the real script block. + 7za l -slt "${archive}" | awk ' + BEGIN{RS=""; FS="\\n"} + \$1=="----------"{started=1} + started{ + path=""; isdir=0 + for(i=1;i<=NF;i++){ + if (\$i ~ /^Path = /) path=substr(\$i,8) + else if (\$i ~ /^Folder = \\+/) isdir=1 + } + if (path!="") print (isdir?"D":"F") "\\t" path + } + ' | while IFS=\$'\\t' read -r type path; do + [ -z "\${path}" ] && continue + if [ "\${type}" = "D" ]; then + mkdir -p "${prefix}/\${path}" + else + mkdir -p "${prefix}/\$(dirname "\${path}")" + emit_stub "${prefix}/\${path}" + fi + done """ } diff --git a/modules/nf-core/unzip/meta.yml b/modules/nf-core/unzip/meta.yml index ba1eb912..1c645556 100644 --- a/modules/nf-core/unzip/meta.yml +++ b/modules/nf-core/unzip/meta.yml @@ -7,12 +7,13 @@ keywords: - archiving tools: - unzip: - description: p7zip is a quick port of 7z.exe and 7za.exe (command line version - of 7zip, see www.7-zip.org) for Unix. + description: p7zip is a quick port of 7z.exe and 7za.exe (command line + version of 7zip, see www.7-zip.org) for Unix. homepage: https://sourceforge.net/projects/p7zip/ documentation: https://sourceforge.net/projects/p7zip/ tool_dev_url: https://sourceforge.net/projects/p7zip" - licence: ["LGPL-2.1-or-later"] + licence: + - "LGPL-2.1-or-later" identifier: "" input: - - meta: @@ -25,7 +26,7 @@ input: description: ZIP file pattern: "*.zip" ontologies: - - edam: http://edamontology.org/format_3987 # ZIP format + - edam: http://edamontology.org/format_3987 output: unzipped_archive: - - meta: @@ -37,13 +38,27 @@ output: type: directory description: Directory contents of the unzipped archive pattern: "${archive.baseName}/" + versions_7za: + - - ${task.process}: + type: string + description: The name of the process + - 7za: + type: string + description: The name of the tool + - 7za 2>&1 | sed -n '2s/^.* \([0-9.]*\) .*/\1/p': + type: eval + description: The expression to obtain the version of the tool +topics: versions: - - versions.yml: - type: file - description: File containing software versions - pattern: "versions.yml" - ontologies: - - edam: http://edamontology.org/format_3750 # YAML + - - ${task.process}: + type: string + description: The name of the process + - 7za: + type: string + description: The name of the tool + - 7za 2>&1 | sed -n '2s/^.* \([0-9.]*\) .*/\1/p': + type: eval + description: The expression to obtain the version of the tool authors: - "@jfy133" maintainers: diff --git a/modules/nf-core/unzip/tests/main.nf.test b/modules/nf-core/unzip/tests/main.nf.test index 238b68d8..6e5997d2 100644 --- a/modules/nf-core/unzip/tests/main.nf.test +++ b/modules/nf-core/unzip/tests/main.nf.test @@ -24,7 +24,7 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert snapshot(sanitizeOutput(process.out)).match() } ) } } @@ -47,7 +47,7 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert snapshot(sanitizeOutput(process.out)).match() } ) } } diff --git a/modules/nf-core/unzip/tests/main.nf.test.snap b/modules/nf-core/unzip/tests/main.nf.test.snap index cdd2ab16..3d178111 100644 --- a/modules/nf-core/unzip/tests/main.nf.test.snap +++ b/modules/nf-core/unzip/tests/main.nf.test.snap @@ -2,7 +2,7 @@ "generic [tar] [tar_gz] stub": { "content": [ { - "0": [ + "unzipped_archive": [ [ { "id": "hello" @@ -12,34 +12,25 @@ ] ] ], - "1": [ - "versions.yml:md5,52c55ce814e8bc9edc5a6c625ed794b8" - ], - "unzipped_archive": [ + "versions_7za": [ [ - { - "id": "hello" - }, - [ - - ] + "UNZIP", + "7za", + "16.02" ] - ], - "versions": [ - "versions.yml:md5,52c55ce814e8bc9edc5a6c625ed794b8" ] } ], + "timestamp": "2026-06-15T16:55:32.454288336", "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" - }, - "timestamp": "2024-06-30T19:16:37.11550986" + "nf-test": "0.9.5", + "nextflow": "26.04.0" + } }, "generic [tar] [tar_gz]": { "content": [ { - "0": [ + "unzipped_archive": [ [ { "id": "hello" @@ -49,28 +40,19 @@ ] ] ], - "1": [ - "versions.yml:md5,52c55ce814e8bc9edc5a6c625ed794b8" - ], - "unzipped_archive": [ + "versions_7za": [ [ - { - "id": "hello" - }, - [ - "hello.tar:md5,80c66db79a773bc87b3346035ff9593e" - ] + "UNZIP", + "7za", + "16.02" ] - ], - "versions": [ - "versions.yml:md5,52c55ce814e8bc9edc5a6c625ed794b8" ] } ], + "timestamp": "2026-06-15T16:55:26.181807504", "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" - }, - "timestamp": "2024-06-30T19:16:25.120242571" + "nf-test": "0.9.5", + "nextflow": "26.04.0" + } } } \ No newline at end of file From 62ccb66eaf9a79816bc6a1ed3d3c1340baa8e460 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 10:42:56 +0200 Subject: [PATCH 09/41] changes to lots tests for spoqc modules main.nf.test --- modules/local/spoQC/ambient/tests/main.nf.test | 6 ++++-- modules/local/spoQC/bubble/tests/main.nf.test | 6 ++++-- modules/local/spoQC/cell/tests/main.nf.test | 6 ++++-- modules/local/spoQC/finalreport/tests/main.nf.test | 8 ++++++-- modules/local/spoQC/hqcr_ident/tests/main.nf.test | 6 ++++-- modules/local/spoQC/hqpr_celltype/tests/main.nf.test | 6 ++++-- modules/local/spoQC/hqpr_metrices/tests/main.nf.test | 6 ++++-- modules/local/spoQC/hqtr_celltype/tests/main.nf.test | 6 ++++-- modules/local/spoQC/model/tests/main.nf.test | 6 ++++-- 9 files changed, 38 insertions(+), 18 deletions(-) diff --git a/modules/local/spoQC/ambient/tests/main.nf.test b/modules/local/spoQC/ambient/tests/main.nf.test index 0ea07986..425f0a15 100644 --- a/modules/local/spoQC/ambient/tests/main.nf.test +++ b/modules/local/spoQC/ambient/tests/main.nf.test @@ -49,7 +49,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.tmp, process.out.versions_spoqc).match() } ) } } @@ -70,7 +71,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.tmp, process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/bubble/tests/main.nf.test b/modules/local/spoQC/bubble/tests/main.nf.test index 90bef06c..62050571 100644 --- a/modules/local/spoQC/bubble/tests/main.nf.test +++ b/modules/local/spoQC/bubble/tests/main.nf.test @@ -49,7 +49,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.tmp, process.out.versions_spoqc).match() } ) } } @@ -70,7 +71,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.tmp, process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/cell/tests/main.nf.test b/modules/local/spoQC/cell/tests/main.nf.test index 9bb29c65..e7b5c78e 100644 --- a/modules/local/spoQC/cell/tests/main.nf.test +++ b/modules/local/spoQC/cell/tests/main.nf.test @@ -49,7 +49,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.tmp, process.out.versions_spoqc).match() } ) } } @@ -70,7 +71,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.tmp, process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/finalreport/tests/main.nf.test b/modules/local/spoQC/finalreport/tests/main.nf.test index 519423d5..3f59c5f2 100644 --- a/modules/local/spoQC/finalreport/tests/main.nf.test +++ b/modules/local/spoQC/finalreport/tests/main.nf.test @@ -411,7 +411,9 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).exists() }, + { assert file(process.out.report[0]).name == "report.html" }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } @@ -455,7 +457,9 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).exists() }, + { assert file(process.out.report[0]).name == "report.html" }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/hqcr_ident/tests/main.nf.test b/modules/local/spoQC/hqcr_ident/tests/main.nf.test index 1653ac10..57dec71c 100644 --- a/modules/local/spoQC/hqcr_ident/tests/main.nf.test +++ b/modules/local/spoQC/hqcr_ident/tests/main.nf.test @@ -117,7 +117,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.mask, process.out.mask_smoothed, process.out.versions_spoqc).match() } ) } } @@ -143,7 +144,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.mask, process.out.mask_smoothed, process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/hqpr_celltype/tests/main.nf.test b/modules/local/spoQC/hqpr_celltype/tests/main.nf.test index d905b0bf..766035df 100644 --- a/modules/local/spoQC/hqpr_celltype/tests/main.nf.test +++ b/modules/local/spoQC/hqpr_celltype/tests/main.nf.test @@ -152,7 +152,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } @@ -180,7 +181,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/hqpr_metrices/tests/main.nf.test b/modules/local/spoQC/hqpr_metrices/tests/main.nf.test index e7e728c6..868d3b0e 100644 --- a/modules/local/spoQC/hqpr_metrices/tests/main.nf.test +++ b/modules/local/spoQC/hqpr_metrices/tests/main.nf.test @@ -50,7 +50,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0][1]).isDirectory() }, + { assert snapshot(process.out.metrices, process.out.staininglog, process.out.versions_spoqc).match() } ) } } @@ -72,7 +73,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0][1]).isDirectory() }, + { assert snapshot(process.out.metrices, process.out.staininglog, process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/hqtr_celltype/tests/main.nf.test b/modules/local/spoQC/hqtr_celltype/tests/main.nf.test index b33fd3e3..21a9b23a 100644 --- a/modules/local/spoQC/hqtr_celltype/tests/main.nf.test +++ b/modules/local/spoQC/hqtr_celltype/tests/main.nf.test @@ -185,7 +185,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } @@ -214,7 +215,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } diff --git a/modules/local/spoQC/model/tests/main.nf.test b/modules/local/spoQC/model/tests/main.nf.test index bbd13c24..5aaeec2e 100644 --- a/modules/local/spoQC/model/tests/main.nf.test +++ b/modules/local/spoQC/model/tests/main.nf.test @@ -49,7 +49,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } @@ -70,7 +71,8 @@ nextflow_process { then { assertAll( { assert process.success }, - { assert snapshot(process.out).match() } + { assert file(process.out.report[0]).isDirectory() }, + { assert snapshot(process.out.versions_spoqc).match() } ) } } From c5b9e645bae3ea486c0d75e2d98761de75fe7c02 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 10:44:02 +0200 Subject: [PATCH 10/41] adding bigger test data samplesheet_full.csv, test_full.config and main.nf for utils_nfcore_spatialaxe --- assets/samplesheet_full.csv | 2 ++ conf/test_full.config | 4 ++-- subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf | 2 +- 3 files changed, 5 insertions(+), 3 deletions(-) create mode 100644 assets/samplesheet_full.csv diff --git a/assets/samplesheet_full.csv b/assets/samplesheet_full.csv new file mode 100644 index 00000000..9faa2495 --- /dev/null +++ b/assets/samplesheet_full.csv @@ -0,0 +1,2 @@ +sample,bundle,image,annotation,stainings +test_run,https://raw.githubusercontent.com/nf-core/test-datasets/spatialxe/Xenium_V1_Protein_Human_Kidney_tiny_outs.zip,,,0;1 diff --git a/conf/test_full.config b/conf/test_full.config index 68ce4186..e7ef397b 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -15,7 +15,7 @@ params { config_profile_description = 'Full test dataset to check pipeline function' // Input data - input = "${projectDir}/assets/samplesheet.csv" + input = "${projectDir}/assets/samplesheet_full.csv" outdir = 'results' mode = 'coordinate' -} +} \ No newline at end of file diff --git a/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf b/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf index fb3d8879..70297723 100644 --- a/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf @@ -231,7 +231,7 @@ def validateInputParameters( } // check if the samplesheet provided with the test config is assets/samplesheet.csv - if (workflow.profile.contains('test') && !"${input}".endsWith("assets/samplesheet.csv")) { + if (workflow.profile.contains('test') && !"${input}".endsWith("assets/samplesheet.csv") && !workflow.profile.contains('test_full')) { error("❌ Error: Use the samplesheet at: ${projectDir}/assets/samplesheet.csv with `--input` when running the pipeline in test profile.") } From 927aa6eea03710ad7dbe8855150f5d0f6dd72a5d Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 10:44:18 +0200 Subject: [PATCH 11/41] add untzip to spatialaxe.nf --- workflows/spatialaxe.nf | 48 ++++++++++++++++++++++++++++++----------- 1 file changed, 35 insertions(+), 13 deletions(-) diff --git a/workflows/spatialaxe.nf b/workflows/spatialaxe.nf index 82465488..d7f449b9 100644 --- a/workflows/spatialaxe.nf +++ b/workflows/spatialaxe.nf @@ -17,6 +17,7 @@ include { paramsSummaryMap } from 'plugin/nf-sch // nf-core modules include { UNTAR } from '../modules/nf-core/untar/main' +include { UNZIP } from '../modules/nf-core/unzip/main' // coordinate-based segmentation subworklfows include { SEGGER_CREATE_TRAIN_PREDICT } from '../subworkflows/local/segger_create_train_predict/main' @@ -139,25 +140,46 @@ workflow SPATIALAXE { if (workflow.profile.contains('test')) { // get sample, xenium bundle and image path - ch_input_untar = ch_samplesheet.map { meta, bundle, _image, _annotation, _stainings -> + ch_input_compressed = ch_samplesheet.map { meta, bundle, _image, _annotation, _stainings -> return [meta, bundle] } - // get testdata - UNTAR(ch_input_untar) + if (workflow.profile.contains('test_full')) { - ch_untar_outs = UNTAR.out.untar.map { meta, bundle -> - // use toUriString() (not toString()) so the URI scheme (e.g. s3://) - // is preserved when the work dir is on object storage - return [meta, bundle.toUriString()] - } + // get testdata + UNZIP(ch_input_compressed) + + ch_unzip_outs = UNZIP.out.unzipped_archive.map { meta, bundle -> + // use toUriString() (not toString()) so the URI scheme (e.g. s3://) + // is preserved when the work dir is on object storage + return [meta, bundle.toUriString()] + } + + ch_samplesheet + .combine(ch_unzip_outs, by: 0) + .map { meta, _url, image, annotation, stainings, test_bundle -> + return [meta, test_bundle, image, annotation, stainings] + } + .set { ch_input } + + } else { + + // get testdata + UNTAR(ch_input_compressed) - ch_samplesheet - .combine(ch_untar_outs, by: 0) - .map { meta, _url, image, annotation, stainings, test_bundle -> - return [meta, test_bundle, image, annotation, stainings] + ch_untar_outs = UNTAR.out.untar.map { meta, bundle -> + // use toUriString() (not toString()) so the URI scheme (e.g. s3://) + // is preserved when the work dir is on object storage + return [meta, bundle.toUriString()] } - .set { ch_input } + + ch_samplesheet + .combine(ch_untar_outs, by: 0) + .map { meta, _url, image, annotation, stainings, test_bundle -> + return [meta, test_bundle, image, annotation, stainings] + } + .set { ch_input } + } } else { // for all other profile runs From 5a41ec8e3f44746b45710c79553bd70771c71616 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 10:44:46 +0200 Subject: [PATCH 12/41] add test config for spoqc subworkflow --- conf/tests/test_full_spoqc.config | 35 +++++++++++++++++++++++++++++++ conf/tests/test_spoqc.config | 35 +++++++++++++++++++++++++++++++ 2 files changed, 70 insertions(+) create mode 100644 conf/tests/test_full_spoqc.config create mode 100644 conf/tests/test_spoqc.config diff --git a/conf/tests/test_full_spoqc.config b/conf/tests/test_full_spoqc.config new file mode 100644 index 00000000..9602d858 --- /dev/null +++ b/conf/tests/test_full_spoqc.config @@ -0,0 +1,35 @@ +/* +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Nextflow config file for running minimal tests +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Defines input files and everything required to run a fast and simple pipeline test. + + Use as follows: + nextflow run nf-core/spatialaxe -profile test, --mode --outdir + +---------------------------------------------------------------------------------------- +*/ + +process { + + resourceLimits = [ + cpus: 8, + memory: '30.GB', + time: '2.h' + ] + + withName: UNTAR { + ext.prefix = "test_bundle" + } +} + +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' + + // Input data + input = "${projectDir}/assets/samplesheet_full.csv" + outdir = 'results' + mode = 'qc' + spoqc = true +} \ No newline at end of file diff --git a/conf/tests/test_spoqc.config b/conf/tests/test_spoqc.config new file mode 100644 index 00000000..60831157 --- /dev/null +++ b/conf/tests/test_spoqc.config @@ -0,0 +1,35 @@ +/* +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Nextflow config file for running minimal tests +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Defines input files and everything required to run a fast and simple pipeline test. + + Use as follows: + nextflow run nf-core/spatialaxe -profile test, --mode --outdir + +---------------------------------------------------------------------------------------- +*/ + +process { + + resourceLimits = [ + cpus: 8, + memory: '30.GB', + time: '2.h' + ] + + withName: UNTAR { + ext.prefix = "test_bundle" + } +} + +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' + + // Input data + input = "${projectDir}/assets/samplesheet.csv" + outdir = 'results' + mode = 'qc' + spoqc = true +} \ No newline at end of file From f6534074311cdcd1867fcbe4175383922d825772 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 10:45:22 +0200 Subject: [PATCH 13/41] adding spoqc test, change to .nfignore and spoqc.nf.test and spoqc.nf.test.snap --- tests/.nftignore | 61 + tests/spoqc.nf.test | 92 + tests/spoqc.nf.test.snap | 27741 +++++++++++++++++++++++++++++++++++++ 3 files changed, 27894 insertions(+) create mode 100644 tests/spoqc.nf.test create mode 100644 tests/spoqc.nf.test.snap diff --git a/tests/.nftignore b/tests/.nftignore index 2e57a91e..9469e035 100644 --- a/tests/.nftignore +++ b/tests/.nftignore @@ -10,3 +10,64 @@ multiqc/multiqc_plots/{svg,pdf,png}/*.{svg,pdf,png} multiqc/multiqc_report.html pipeline_info/*.{html,json,txt,yml} **/proseg/preset/** + +# proseg2baysor re-serializes proseg's segmentation non-deterministically (geojson/csv); +# this propagates into every spatialdata bundle built from it +coordinate/proseg/proseg2baysor/test_run/cell-polygons.geojson +coordinate/proseg/proseg2baysor/test_run/transcript-metadata.csv +coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/points/** +coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/** +coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/tables/** +coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/points/** +coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/** +coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/tables/** +coordinate/spatialdata/meta/spatialdata/test_run/metadata/points/** +coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/** +coordinate/spatialdata/meta/spatialdata/test_run/metadata/tables/** + +# xeniumranger's internal secondary analysis (clustering/PCA/UMAP/diffexp) and +# resegmentation are not run-to-run reproducible; only existence is checked +xeniumranger/test_run/** + +# spoQC generates thousands of non-deterministic plot/report files; only +# folder existence is checked in spoqc.nf.test, not individual file content +spoqc/** +coordinate/untar/test_run/** +coordinate/spatialdata/write/spatialdata/test_run/redefined_bundle/points/** +coordinate/spatialdata/write/spatialdata/test_run/redefined_bundle/shapes/** +coordinate/spatialdata/write/spatialdata/test_run/redefined_bundle/tables/** + +# MultiQC pre/post-Xeniumranger reports embed non-deterministic run data +coordinate/multiqc/*/MultiQC-*-Xeniumranger-import-segmentation-Run_multiqc_report.html +coordinate/multiqc/*/MultiQC-*-Xeniumranger-import-segmentation-Run_multiqc_report_data/llms-full.txt +coordinate/multiqc/*/MultiQC-*-Xeniumranger-import-segmentation-Run_multiqc_report_data/multiqc.log +coordinate/multiqc/*/MultiQC-*-Xeniumranger-import-segmentation-Run_multiqc_report_data/multiqc.parquet +coordinate/multiqc/*/MultiQC-*-Xeniumranger-import-segmentation-Run_multiqc_report_data/multiqc_data.json +coordinate/multiqc/*/MultiQC-*-Xeniumranger-import-segmentation-Run_multiqc_report_data/multiqc_sources.txt + +# OME-Zarr group metadata (member/channel ordering) is not written in a stable +# order across runs, both for the images subgroup and for each bundle's root +# store (which declares its images/points/shapes/tables members); the +# underlying pixel/array chunk data itself is unaffected +**/images/zarr.json +coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/zarr.json +coordinate/spatialdata/write/spatialdata/test_run/redefined_bundle/zarr.json +coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/zarr.json +coordinate/spatialdata/meta/spatialdata/test_run/metadata/zarr.json + +# spoQC (qc mode) MultiQC report embeds non-deterministic run data +qc/multiqc/multiqc_data/llms-full.txt +qc/multiqc/multiqc_data/multiqc.log +qc/multiqc/multiqc_data/multiqc.parquet +qc/multiqc/multiqc_data/multiqc_data.json +qc/multiqc/multiqc_data/multiqc_sources.txt +qc/multiqc/multiqc_plots/{svg,pdf,png}/*.{svg,pdf,png} +qc/multiqc/multiqc_report.html + +# same spatialdata/write module as coordinate mode's raw_bundle: points/shapes/tables +# parquet writers and the bundle-root zarr.json member ordering are not +# run-to-run reproducible +qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/points/** +qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/shapes/** +qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/tables/** +qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/zarr.json diff --git a/tests/spoqc.nf.test b/tests/spoqc.nf.test new file mode 100644 index 00000000..ad679250 --- /dev/null +++ b/tests/spoqc.nf.test @@ -0,0 +1,92 @@ +nextflow_pipeline { + + name "Test pipeline - runs the default pipeline tests (coordinate mode)" + script "../main.nf" + tag "pipeline" + config "../conf/tests/test_spoqc.config" + + test("-profile test") { + + when { + params { + outdir = "$outputDir" + } + } + + then { + // stable_name: All files + folders in ${params.outdir}/ with a stable name + // spoqc/** is excluded: spoQC generates thousands of non-deterministic + // plot/report files, so only folder existence is checked below instead + def stable_name = getAllFilesFromDir(params.outdir, relative: true, includeDir: true, ignore: ['pipeline_info/*.{html,json,txt}', 'spoqc/**']) + // stable_path: All files in ${params.outdir}/ with stable content + def stable_path = getAllFilesFromDir(params.outdir, ignoreFile: 'tests/.nftignore') + // spoQC report subfolders: checked for existence only (see spoqc/** exclusion above) + def spoqc_report_dirs = [ + "ambientqc", "analysis", "annotation", "bubbleqc", "cellcycleqc", + "cellqc", "combine_masks", "doubletqc", "generalqc", "hqcr", + "hqpr", "hqtr", "modelqc", "transcriptqc", "voidqc", "whole_slide_qc" + ] + assertAll( + { assert workflow.success}, + { assert snapshot( + // pipeline versions.yml file for multiqc from which Nextflow version is removed because we test pipelines on multiple Nextflow versions + removeNextflowVersion("$outputDir/pipeline_info/nf_core_spatialaxe_software_mqc_versions.yml"), + // All stable path name, with a relative path + stable_name, + // All files with stable contents + stable_path + ).match() }, + { assert new File("$outputDir/spoqc/report").isDirectory() }, + { assert new File("$outputDir/spoqc/report/report.html").exists() }, + { assert new File("$outputDir/spoqc/spoQC_tmp").isDirectory() }, + *spoqc_report_dirs.collect { dir -> + { -> assert new File("$outputDir/spoqc/report/$dir").isDirectory() } + } + ) + } + } + + + test("-profile test stub") { + + options "-stub" + + when { + params { + outdir = "$outputDir" + } + } + + then { + // stable_name: All files + folders in ${params.outdir}/ with a stable name + // spoqc/** is excluded: spoQC generates thousands of non-deterministic + // plot/report files, so only folder existence is checked below instead + def stable_name = getAllFilesFromDir(params.outdir, relative: true, includeDir: true, ignore: ['pipeline_info/*.{html,json,txt}', 'spoqc/**']) + // stable_path: All files in ${params.outdir}/ with stable content + def stable_path = getAllFilesFromDir(params.outdir, ignoreFile: 'tests/.nftignore') + // spoQC report subfolders: checked for existence only (see spoqc/** exclusion above) + def spoqc_report_dirs = [ + "ambientqc", "analysis", "annotation", "bubbleqc", "cellcycleqc", + "cellqc", "combine_masks", "doubletqc", "generalqc", "hqcr", + "hqpr", "hqtr", "modelqc", "transcriptqc", "voidqc", "whole_slide_qc" + ] + assertAll( + { assert workflow.success}, + { assert snapshot( + // pipeline versions.yml file for multiqc from which Nextflow version is removed because we test pipelines on multiple Nextflow versions + removeNextflowVersion("$outputDir/pipeline_info/nf_core_spatialaxe_software_mqc_versions.yml"), + // All stable path name, with a relative path + stable_name, + // All files with stable contents + stable_path + ).match() }, + { assert new File("$outputDir/spoqc/report").isDirectory() }, + { assert new File("$outputDir/spoqc/report/report.html").exists() }, + { assert new File("$outputDir/spoqc/spoQC_tmp").isDirectory() }, + *spoqc_report_dirs.collect { dir -> + { -> assert new File("$outputDir/spoqc/report/$dir").isDirectory() } + } + ) + } + } +} diff --git a/tests/spoqc.nf.test.snap b/tests/spoqc.nf.test.snap new file mode 100644 index 00000000..09e0ccd1 --- /dev/null +++ b/tests/spoqc.nf.test.snap @@ -0,0 +1,27741 @@ +{ + "-profile test_full tub": { + "content": [ + null, + [ + "pipeline_info" + ], + [ + + ] + ], + "timestamp": "2026-08-05T13:34:30.446326045", + "meta": { + "nf-test": "0.9.5", + "nextflow": "26.04.6" + } + }, + "-profile test_full stub": { + "content": [ + { + 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\n \n \n \"nf-core/spatialaxe\"\n \n

\n\n[![Open in GitHub Codespaces](https://img.shields.io/badge/Open_In_GitHub_Codespaces-black?labelColor=grey&logo=github)](https://github.com/codespaces/new/nf-core/spatialaxe)\n[![GitHub Actions CI Status](https://github.com/nf-core/spatialaxe/actions/workflows/nf-test.yml/badge.svg)](https://github.com/nf-core/spatialaxe/actions/workflows/nf-test.yml)\n[![GitHub Actions Linting Status](https://github.com/nf-core/spatialaxe/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/spatialaxe/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/spatialaxe/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.20733817-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.20733817)\n[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com)\n\n[![Nextflow](https://img.shields.io/badge/version-%E2%89%A525.04.0-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/)\n[![nf-core template version](https://img.shields.io/badge/nf--core_template-3.4.1-green?style=flat&logo=nfcore&logoColor=white&color=%2324B064&link=https%3A%2F%2Fnf-co.re)](https://github.com/nf-core/tools/releases/tag/3.4.1)\n[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)\n[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)\n[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/spatialaxe)\n\n[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23spatialaxe-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/spatialaxe)[![Follow on Bluesky](https://img.shields.io/badge/bluesky-%40nf__core-1185fe?labelColor=000000&logo=bluesky)](https://bsky.app/profile/nf-co.re)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)\n\n## Introduction\n\n**nf-core/spatialaxe** is a bioinformatics best-practice processing and quality control pipeline for Xenium (and soon Atera) data. The current plan for the pipeline implementation is shown in the metromap below. **The pipeline is under active developement and changes might occure frequently**.\n\n![nf-core/spatialaxe-metromap](docs/images/spatialaxe-metromap.png)\n\n> [!NOTE]\n> We are currently extending the pipeline for the [10x Atera system](https://www.10xgenomics.com/platforms/atera).\n\n## Tools supported\n\nThe pipeline supports the following tools:\n\n- Segmenation methods:\n - [Baysor](https://doi.org/10.1038/s41587-021-01044-w)\n - [Cellpose](https://doi.org/10.1038/s41592-020-01018-x)\n - [Xenium ranger (XR)](https://www.10xgenomics.com/support/software/xenium-ranger/latest)\n - [StarDist](https://doi.org/10.48550/arXiv.2203.02284)\n- Segmentation free methods:\n - [Ficture](https://doi.org/10.1038/s41592-024-02415-2)\n - [Baysor](https://doi.org/10.1038/s41587-021-01044-w)\n- Transcript assignment methods:\n - [Segger](https://doi.org/10.1101/2025.03.14.643160)\n - [Proseg](https://doi.org/10.1038/s41592-025-02697-0)\n- Utility methods:\n - [SpatialData](https://doi.org/10.1038/s41592-024-02212-x)\n - [Baysor](https://doi.org/10.1038/s41587-021-01044-w)\n- QC methods:\n - [MultiQC Xenium Extra Plugin](https://github.com/MultiQC/xenium-extra)\n - [OPT](https://github.com/JEFworks-Lab/off-target-probe-tracker)\n\n## Usage\n\nOn release, automated continuous integration tests run the pipeline on a full-sized dataset on the AWS cloud infrastructure. This ensures that the pipeline runs on AWS, has sensible resource allocation defaults set to run on real-world datasets, and permits the persistent storage of results to benchmark between pipeline releases and other analysis sources. The results obtained from the full-sized test can be viewed on the [nf-core website](https://nf-co.re/spatialaxe/results).\n\n> [!NOTE]\n> The pipeline does not support conda currently. We are working on it.\n\n## Quick Start\n\n`samplesheet.csv`:\n\n```csv\nsample,bundle,image\ntest_sample,/path/to/xenium-bundle,/path/to/morphology.ome.tif\n```\n\nNow, you can run the pipeline using:\n\n### Run image-based segmentation mode
\n\n`CELLPOSE -> BAYSOR -> XR-IMPORT_SEGMENTATION -> SPATIALDATA -> QC`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode \n```\n\n### Run coordinate-based segmentation mode
\n\n`PROSEG -> PROSEG2BAYSOR -> XR-IMPORT_SEGMENTATION -> SPATIALDATA -> QC`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode coordinate\n```\n\n### Run segfree mode
\n\n`BAYSOR_SEGFREE`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode segfree\n```\n\n### Run preview mode
\n\n`BAYSOR_PREVIEW`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode preview\n```\n\n### Run just the quality control
\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode qc\n```\n\n### Additional information\n\n> [!WARNING]\n> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; see [docs](https://nf-co.re/docs/usage/getting_started/configuration#custom-configuration-files).\n\nFor more details and further functionality, please refer to the [usage documentation](https://nf-co.re/spatialaxe/usage) and the [parameter documentation](https://nf-co.re/spatialaxe/parameters).\n\n## Pipeline output\n\nTo see the results of an example test run with a full size dataset refer to the [results](https://nf-co.re/spatialaxe/results) tab on the nf-core website pipeline page.\nFor more details about the output files and reports, please refer to the\n[output documentation](https://nf-co.re/spatialaxe/output).\n\n## Runtime and resource estimations\n\n| Tool | Compute | Runtime (min / med / max) | Peak RSS (min / med / max) |\n| ------------------------- | ------- | ------------------------- | -------------------------- |\n| Cellpose | GPU | 1m / 4m / 1.4h | 10 GB / 26 GB / 554 GB |\n| Cellpose | CPU | 1.3h / 2.3h / 6.5h | 161 GB / 426 GB / 1115 GB |\n| StarDist | GPU | 1m / 4m / 7m | 5 GB / 12 GB / 18 GB |\n| StarDist | CPU | 5m / 6m / 7m | 18 GB / 18 GB / 18 GB |\n| Segger (create_dataset) | GPU | 2m / 9m / 31m | 1.7 GB / 14 GB / 50 GB |\n| Segger (create_dataset) | CPU | 13m / 21m / 46m | 13 GB / 19 GB / 49 GB |\n| Segger (train) | GPU | 10m / 43m / 2.9h | 30 GB / 33 GB / 60 GB |\n| Segger (predict) | GPU | 2m / 16m / 59m | 10 GB / 25 GB / 87 GB |\n| Baysor (whole-image) | CPU | 2m / 30m / 17h | 6 GB / 10 GB / 650 GB |\n| Baysor (tiled) | CPU | 1m / 18m / 13h | 0.2 GB / 34 GB / 530 GB |\n| Proseg | CPU | 1m / 18m / 6.8h | 279 MB / 3.8 GB / 136 GB |\n| XeniumRanger (resegment) | CPU | 18m / 39m / 3.7h | 28 GB / 54 GB / 60 GB |\n| XeniumRanger (import_seg) | CPU | 2m / 7m / 2.7h | 2.6 GB / 11 GB / 51 GB |\n| Ficture (preprocess) | CPU | 3m / 4m / 13m | 331 MB / 357 MB / 21 GB |\n\n- Cellpose GPU vs CPU: 35x faster on GPU (4m median vs 2.3h), 16x less memory (26 GB vs 426 GB)\n- Segger: Only tool that truly requires GPU for all 3 steps (create_dataset, train, predict)\n- StarDist: Very fast on CPU, GPU is not necessary to run its default model\n\n## Credits\n\nnf-core/spatialaxe is mainly developed by [Sameesh Kher](https://github.com/khersameesh24), [Dongze He](https://github.com/dongzehe), and [Florian Heyl](https://github.com/heylf).\n\nWe thank the following people for their extensive assistance in the development of this pipeline:\n\n- Tobias Krause\n- Krešimir Beštak (kbestak)\n- Matthias Hörtenhuber (mashehu)\n- Maxime Garcia (maxulysse)\n- Kübra Narcı (kubranarci)\n\n## Contributions and Support\n\nIf you would like to contribute to this pipeline, please see the [contributing guidelines](.github/CONTRIBUTING.md).\n\nFor further information or help, don't hesitate to get in touch on the [Slack `#spatialaxe` channel](https://nfcore.slack.com/channels/spatialaxe) (you can join with [this invite](https://nf-co.re/join/slack)).\n\n## Citations\n\nIf you use nf-core/spatialaxe for your analysis, please cite it using the following doi: [10.5281/zenodo.20733817](https://doi.org/10.5281/zenodo.20733817)\n\nAn extensive list of references for the tools used by the pipeline can be found in the [`CITATIONS.md`](CITATIONS.md) file.\n\nYou can cite the `nf-core` publication as follows:\n\n> **The nf-core framework for community-curated bioinformatics pipelines.**\n>\n> Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.\n>\n> _Nat Biotechnol._ 2020 Feb 13. doi: [10.1038/s41587-020-0439-x](https://dx.doi.org/10.1038/s41587-020-0439-x).\n", + "description": "

\n \n \n \"nf-core/spatialaxe\"\n \n

\n\n[![Open in GitHub Codespaces](https://img.shields.io/badge/Open_In_GitHub_Codespaces-black?labelColor=grey&logo=github)](https://github.com/codespaces/new/nf-core/spatialaxe)\n[![GitHub Actions CI Status](https://github.com/nf-core/spatialaxe/actions/workflows/nf-test.yml/badge.svg)](https://github.com/nf-core/spatialaxe/actions/workflows/nf-test.yml)\n[![GitHub Actions Linting Status](https://github.com/nf-core/spatialaxe/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/spatialaxe/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/spatialaxe/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.20733817-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.20733817)\n[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com)\n\n[![Nextflow](https://img.shields.io/badge/version-%E2%89%A525.04.0-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/)\n[![nf-core template version](https://img.shields.io/badge/nf--core_template-3.4.1-green?style=flat&logo=nfcore&logoColor=white&color=%2324B064&link=https%3A%2F%2Fnf-co.re)](https://github.com/nf-core/tools/releases/tag/3.4.1)\n[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)\n[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)\n[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/spatialaxe)\n\n[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23spatialaxe-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/spatialaxe)[![Follow on Bluesky](https://img.shields.io/badge/bluesky-%40nf__core-1185fe?labelColor=000000&logo=bluesky)](https://bsky.app/profile/nf-co.re)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)\n\n## Introduction\n\n**nf-core/spatialaxe** is a bioinformatics best-practice processing and quality control pipeline for Xenium (and soon Atera) data. The current plan for the pipeline implementation is shown in the metromap below. **The pipeline is under active developement and changes might occure frequently**.\n\n![nf-core/spatialaxe-metromap](docs/images/spatialaxe-metromap.png)\n\n> [!NOTE]\n> We are currently extending the pipeline for the [10x Atera system](https://www.10xgenomics.com/platforms/atera).\n\n## Tools supported\n\nThe pipeline supports the following tools:\n\n- Segmenation methods:\n - [Baysor](https://doi.org/10.1038/s41587-021-01044-w)\n - [Cellpose](https://doi.org/10.1038/s41592-020-01018-x)\n - [Xenium ranger (XR)](https://www.10xgenomics.com/support/software/xenium-ranger/latest)\n - [StarDist](https://doi.org/10.48550/arXiv.2203.02284)\n- Segmentation free methods:\n - [Ficture](https://doi.org/10.1038/s41592-024-02415-2)\n - [Baysor](https://doi.org/10.1038/s41587-021-01044-w)\n- Transcript assignment methods:\n - [Segger](https://doi.org/10.1101/2025.03.14.643160)\n - [Proseg](https://doi.org/10.1038/s41592-025-02697-0)\n- Utility methods:\n - [SpatialData](https://doi.org/10.1038/s41592-024-02212-x)\n - [Baysor](https://doi.org/10.1038/s41587-021-01044-w)\n- QC methods:\n - [MultiQC Xenium Extra Plugin](https://github.com/MultiQC/xenium-extra)\n - [OPT](https://github.com/JEFworks-Lab/off-target-probe-tracker)\n - [spoQC](https://github.com/heylf/spoQC)\n\n## Usage\n\nOn release, automated continuous integration tests run the pipeline on a full-sized dataset on the AWS cloud infrastructure. This ensures that the pipeline runs on AWS, has sensible resource allocation defaults set to run on real-world datasets, and permits the persistent storage of results to benchmark between pipeline releases and other analysis sources. The results obtained from the full-sized test can be viewed on the [nf-core website](https://nf-co.re/spatialaxe/results).\n\n> [!NOTE]\n> The pipeline does not support conda currently. We are working on it.\n\n## Quick Start\n\n`samplesheet.csv`:\n\n```csv\nsample,bundle,image\ntest_sample,/path/to/xenium-bundle,/path/to/morphology.ome.tif\n```\n\nNow, you can run the pipeline using:\n\n### Run image-based segmentation mode
\n\n`CELLPOSE -> BAYSOR -> XR-IMPORT_SEGMENTATION -> SPATIALDATA -> QC`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode \n```\n\n### Run coordinate-based segmentation mode
\n\n`PROSEG -> PROSEG2BAYSOR -> XR-IMPORT_SEGMENTATION -> SPATIALDATA -> QC`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode coordinate\n```\n\n### Run segfree mode
\n\n`BAYSOR_SEGFREE`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode segfree\n```\n\n### Run preview mode
\n\n`BAYSOR_PREVIEW`\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode preview\n```\n\n### Run just the quality control
\n\n```bash\nnextflow run nf-core/spatialaxe \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \\\n --mode qc\n```\n\n### Additional information\n\n> [!WARNING]\n> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; see [docs](https://nf-co.re/docs/usage/getting_started/configuration#custom-configuration-files).\n\nFor more details and further functionality, please refer to the [usage documentation](https://nf-co.re/spatialaxe/usage) and the [parameter documentation](https://nf-co.re/spatialaxe/parameters).\n\n## Pipeline output\n\nTo see the results of an example test run with a full size dataset refer to the [results](https://nf-co.re/spatialaxe/results) tab on the nf-core website pipeline page.\nFor more details about the output files and reports, please refer to the\n[output documentation](https://nf-co.re/spatialaxe/output).\n\n## Runtime and resource estimations\n\n| Tool | Compute | Runtime (min / med / max) | Peak RSS (min / med / max) |\n| ------------------------- | ------- | ------------------------- | -------------------------- |\n| Cellpose | GPU | 1m / 4m / 1.4h | 10 GB / 26 GB / 554 GB |\n| Cellpose | CPU | 1.3h / 2.3h / 6.5h | 161 GB / 426 GB / 1115 GB |\n| StarDist | GPU | 1m / 4m / 7m | 5 GB / 12 GB / 18 GB |\n| StarDist | CPU | 5m / 6m / 7m | 18 GB / 18 GB / 18 GB |\n| Segger (create_dataset) | GPU | 2m / 9m / 31m | 1.7 GB / 14 GB / 50 GB |\n| Segger (create_dataset) | CPU | 13m / 21m / 46m | 13 GB / 19 GB / 49 GB |\n| Segger (train) | GPU | 10m / 43m / 2.9h | 30 GB / 33 GB / 60 GB |\n| Segger (predict) | GPU | 2m / 16m / 59m | 10 GB / 25 GB / 87 GB |\n| Baysor (whole-image) | CPU | 2m / 30m / 17h | 6 GB / 10 GB / 650 GB |\n| Baysor (tiled) | CPU | 1m / 18m / 13h | 0.2 GB / 34 GB / 530 GB |\n| Proseg | CPU | 1m / 18m / 6.8h | 279 MB / 3.8 GB / 136 GB |\n| XeniumRanger (resegment) | CPU | 18m / 39m / 3.7h | 28 GB / 54 GB / 60 GB |\n| XeniumRanger (import_seg) | CPU | 2m / 7m / 2.7h | 2.6 GB / 11 GB / 51 GB |\n| Ficture (preprocess) | CPU | 3m / 4m / 13m | 331 MB / 357 MB / 21 GB |\n\n- Cellpose GPU vs CPU: 35x faster on GPU (4m median vs 2.3h), 16x less memory (26 GB vs 426 GB)\n- Segger: Only tool that truly requires GPU for all 3 steps (create_dataset, train, predict)\n- StarDist: Very fast on CPU, GPU is not necessary to run its default model\n\n## Credits\n\nnf-core/spatialaxe is mainly developed by [Sameesh Kher](https://github.com/khersameesh24), [Dongze He](https://github.com/dongzehe), and [Florian Heyl](https://github.com/heylf).\n\nWe thank the following people for their extensive assistance in the development of this pipeline:\n\n- Tobias Krause\n- Kre\u0161imir Be\u0161tak (kbestak)\n- Matthias H\u00f6rtenhuber (mashehu)\n- Maxime Garcia (maxulysse)\n- K\u00fcbra Narc\u0131 (kubranarci)\n\n## Contributions and Support\n\nIf you would like to contribute to this pipeline, please see the [contributing guidelines](.github/CONTRIBUTING.md).\n\nFor further information or help, don't hesitate to get in touch on the [Slack `#spatialaxe` channel](https://nfcore.slack.com/channels/spatialaxe) (you can join with [this invite](https://nf-co.re/join/slack)).\n\n## Citations\n\nIf you use nf-core/spatialaxe for your analysis, please cite it using the following doi: [10.5281/zenodo.20733817](https://doi.org/10.5281/zenodo.20733817)\n\nAn extensive list of references for the tools used by the pipeline can be found in the [`CITATIONS.md`](CITATIONS.md) file.\n\nYou can cite the `nf-core` publication as follows:\n\n> **The nf-core framework for community-curated bioinformatics pipelines.**\n>\n> Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.\n>\n> _Nat Biotechnol._ 2020 Feb 13. doi: [10.1038/s41587-020-0439-x](https://dx.doi.org/10.1038/s41587-020-0439-x).\n", "hasPart": [ { "@id": "main.nf" From dcea0c697613a8edcb0386a57910837b27a1f4fd Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 11:15:11 +0200 Subject: [PATCH 16/41] change to nextflow_schmea.json --- nextflow_schema.json | 55 +++++++++++++++++++++++++++----------------- 1 file changed, 34 insertions(+), 21 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 58a47276..b2c54885 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -129,8 +129,7 @@ }, "offtarget_probe_tracking": { "type": "boolean", - "description": "Whether to run the off-target probe tracking.", - "default": false + "description": "Whether to run the off-target probe tracking." }, "segmentation_refinement": { "type": "boolean", @@ -146,7 +145,8 @@ }, "cell_segmentation_only": { "type": "boolean", - "description": "Whether to only run nucleus segmentation." + "description": "Whether to only run nucleus segmentation.", + "default": true }, "nucleus_segmentation_only": { "type": "boolean", @@ -155,7 +155,7 @@ "expansion_distance": { "type": "integer", "default": 5, - "description": "Nuclei boundary expansion distance in µm. Default: 5 (Min: 0, Max: 15 if either boundary-stain or interior-stain are enabled and 100 if nucleus-expansion only)" + "description": "Nuclei boundary expansion distance in \u00b5m. Default: 5 (Min: 0, Max: 15 if either boundary-stain or interior-stain are enabled and 100 if nucleus-expansion only)" }, "dapi_filter": { "type": "integer", @@ -174,7 +174,6 @@ }, "use_gpu": { "type": "boolean", - "default": false, "description": "Enable GPU acceleration (set automatically by the gpu profile)." }, "gpu_queue": { @@ -187,7 +186,6 @@ }, "cellpose_downscale": { "type": "boolean", - "default": false, "description": "Pre-downscale morphology image to avoid Cellpose OOM on large images." }, "sharpen_tiff": { @@ -228,7 +226,8 @@ "type": "string", "enum": ["cellpose", "xeniumranger", "baysor", "stardist"] }, - "description": "List of image-based segmentation methods." + "description": "List of image-based segmentation methods.", + "default": "['cellpose', 'xeniumranger', 'baysor', 'stardist']" }, "transcript_seg_methods": { "type": "array", @@ -236,7 +235,8 @@ "type": "string", "enum": ["proseg", "segger", "baysor"] }, - "description": "List of transcript-based segmentation methods." + "description": "List of transcript-based segmentation methods.", + "default": "['proseg', 'segger', 'baysor']" }, "segfree_methods": { "type": "array", @@ -244,7 +244,8 @@ "type": "string", "enum": ["ficture", "baysor"] }, - "description": "List of segmentation-free methods." + "description": "List of segmentation-free methods.", + "default": "['ficture', 'baysor']" }, "negative_control_regex": { "type": "string", @@ -256,8 +257,7 @@ }, "filter_transcripts": { "type": "boolean", - "description": "Whether to filter the transcripts.parquet file before running Baysor segmentation.", - "default": false + "description": "Whether to filter the transcripts.parquet file before running Baysor segmentation." }, "baysor_scale": { "type": "integer", @@ -325,7 +325,8 @@ }, "max_x": { "type": "number", - "description": "only keep transcripts whose x-coordinate is less than specified limit, if no limit is specified, the default value will retain all transcripts since Xenium slide is <24000 microns in x and y (default: 24000.0)" + "description": "only keep transcripts whose x-coordinate is less than specified limit, if no limit is specified, the default value will retain all transcripts since Xenium slide is <24000 microns in x and y (default: 24000.0)", + "default": 24000 }, "min_y": { "type": "number", @@ -333,12 +334,12 @@ }, "max_y": { "type": "number", - "description": "only keep transcripts whose y-coordinate is less than specified limit, if no limit is specified, the default value will retain all transcripts since Xenium slide is <24000 microns in x and y (default: 24000.0)" + "description": "only keep transcripts whose y-coordinate is less than specified limit, if no limit is specified, the default value will retain all transcripts since Xenium slide is <24000 microns in x and y (default: 24000.0)", + "default": 24000 }, "tiling": { "type": "boolean", - "description": "Enable tiled segmentation for large datasets. Divides transcripts into overlapping patches, runs segmentation in parallel per patch, then stitches results.", - "default": false + "description": "Enable tiled segmentation for large datasets. Divides transcripts into overlapping patches, runs segmentation in parallel per patch, then stitches results." }, "patch_grid": { "type": "string", @@ -358,12 +359,12 @@ "patch_filter_iqr_multiplier": { "type": "number", "description": "IQR multiplier for empirical cell size filtering during stitching.", - "default": 3.0 + "default": 3 }, "patch_filter_z_threshold": { "type": "number", "description": "Z-score threshold for distribution-based cell size filtering during stitching.", - "default": 4.0 + "default": 4 }, "csplit_x_bins": { "type": "integer", @@ -407,13 +408,11 @@ }, "cc_analysis": { "type": "boolean", - "description": "Whether to use connected components for grouping transcripts without direct nucleus association", - "default": false + "description": "Whether to use connected components for grouping transcripts without direct nucleus association" }, "buffer_samples": { "type": "boolean", - "description": "Process only one sample at a time from a multi-sample samplesheet.", - "default": false + "description": "Process only one sample at a time from a multi-sample samplesheet." }, "buffer_size": { "type": "integer", @@ -422,6 +421,17 @@ } } }, + "qc_options": { + "title": "QC options", + "type": "object", + "description": "", + "default": "", + "properties": { + "spoqc": { + "type": "boolean" + } + } + }, "institutional_config_options": { "title": "Institutional config options", "type": "object", @@ -598,6 +608,9 @@ { "$ref": "#/$defs/segmentation_options" }, + { + "$ref": "#/$defs/qc_options" + }, { "$ref": "#/$defs/institutional_config_options" }, From 08217a416c0532e57a43d61da7e52a479435b651 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 11:16:23 +0200 Subject: [PATCH 17/41] apply prettier modules.json --- modules.json | 58 ++++++++++++++-------------------------------------- 1 file changed, 15 insertions(+), 43 deletions(-) diff --git a/modules.json b/modules.json index 80c37636..cce5dd21 100644 --- a/modules.json +++ b/modules.json @@ -8,87 +8,65 @@ "cellpose": { "branch": "master", "git_sha": "0780b963d3ab087e861a4b74e9d0e404115e5352", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/cellpose/cellpose.diff" }, "multiqc": { "branch": "master", "git_sha": "cb9f4bec379866ca560f7f79d9a9a06bea8c9b51", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/multiqc/multiqc.diff" }, "opt/flip": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/opt/flip/opt-flip.diff" }, "opt/stat": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/opt/stat/opt-stat.diff" }, "opt/track": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/opt/track/opt-track.diff" }, "stardist": { "branch": "master", "git_sha": "4e783502ab661bed13f15189401b73c93966831f", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/stardist/stardist.diff" }, "untar": { "branch": "master", "git_sha": "447f7bc0fa41dfc2400c8cad4c0291880dc060cf", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/untar/untar.diff" }, "unzip": { "branch": "master", "git_sha": "1c43a7e22f04cf19c9f9d3de7e7e5a3addd9382a", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/unzip/unzip.diff" }, "xeniumranger/importsegmentation": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "xeniumranger/relabel": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "xeniumranger/resegment": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] } } }, @@ -97,26 +75,20 @@ "utils_nextflow_pipeline": { "branch": "master", "git_sha": "05954dab2ff481bcb999f24455da29a5828af08d", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", "git_sha": "05954dab2ff481bcb999f24455da29a5828af08d", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] }, "utils_nfschema_plugin": { "branch": "master", "git_sha": "4b406a74dc0449c0401ed87d5bfff4252fd277fd", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] } } } } } -} \ No newline at end of file +} From d1d824ab65df149dc71c3715d6ca036ccad4e39a Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 12:01:04 +0200 Subject: [PATCH 18/41] changes to modules.json --- modules.json | 62 ++++++++++++++++++++++++++++++++++++++-------------- 1 file changed, 45 insertions(+), 17 deletions(-) diff --git a/modules.json b/modules.json index cce5dd21..1a0003b6 100644 --- a/modules.json +++ b/modules.json @@ -8,65 +8,87 @@ "cellpose": { "branch": "master", "git_sha": "0780b963d3ab087e861a4b74e9d0e404115e5352", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/cellpose/cellpose.diff" }, "multiqc": { "branch": "master", "git_sha": "cb9f4bec379866ca560f7f79d9a9a06bea8c9b51", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/multiqc/multiqc.diff" }, "opt/flip": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/opt/flip/opt-flip.diff" }, "opt/stat": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/opt/stat/opt-stat.diff" }, "opt/track": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/opt/track/opt-track.diff" }, "stardist": { "branch": "master", "git_sha": "4e783502ab661bed13f15189401b73c93966831f", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/stardist/stardist.diff" }, "untar": { "branch": "master", "git_sha": "447f7bc0fa41dfc2400c8cad4c0291880dc060cf", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/untar/untar.diff" }, "unzip": { "branch": "master", "git_sha": "1c43a7e22f04cf19c9f9d3de7e7e5a3addd9382a", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/unzip/unzip.diff" }, "xeniumranger/importsegmentation": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "xeniumranger/relabel": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "xeniumranger/resegment": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] } } }, @@ -74,21 +96,27 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "05954dab2ff481bcb999f24455da29a5828af08d", - "installed_by": ["subworkflows"] + "git_sha": "1a545fcbd762911c21a64ced3dbef99b2b51ac75", + "installed_by": [ + "subworkflows" + ] }, "utils_nfcore_pipeline": { "branch": "master", "git_sha": "05954dab2ff481bcb999f24455da29a5828af08d", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] }, "utils_nfschema_plugin": { "branch": "master", - "git_sha": "4b406a74dc0449c0401ed87d5bfff4252fd277fd", - "installed_by": ["subworkflows"] + "git_sha": "a7b27fd25bfa8dcc07d299e88bd790585901a436", + "installed_by": [ + "subworkflows" + ] } } } } } -} +} \ No newline at end of file From 9862dc058be5c9f401951a1e975c9265589809b6 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 12:01:17 +0200 Subject: [PATCH 19/41] changes to nextflow_schmea.json --- nextflow_schema.json | 9 +++------ 1 file changed, 3 insertions(+), 6 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index b2c54885..8ba05233 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -226,8 +226,7 @@ "type": "string", "enum": ["cellpose", "xeniumranger", "baysor", "stardist"] }, - "description": "List of image-based segmentation methods.", - "default": "['cellpose', 'xeniumranger', 'baysor', 'stardist']" + "description": "List of image-based segmentation methods." }, "transcript_seg_methods": { "type": "array", @@ -235,8 +234,7 @@ "type": "string", "enum": ["proseg", "segger", "baysor"] }, - "description": "List of transcript-based segmentation methods.", - "default": "['proseg', 'segger', 'baysor']" + "description": "List of transcript-based segmentation methods." }, "segfree_methods": { "type": "array", @@ -244,8 +242,7 @@ "type": "string", "enum": ["ficture", "baysor"] }, - "description": "List of segmentation-free methods.", - "default": "['ficture', 'baysor']" + "description": "List of segmentation-free methods." }, "negative_control_regex": { "type": "string", From 73d3207cc70bb11bab2f1cb619b886acdd9962da Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 12:01:58 +0200 Subject: [PATCH 20/41] update nextflow schmema to 2.7.2 --- nextflow.config | 2 +- .../nf-core/utils_nfschema_plugin/main.nf | 13 ++++++---- .../nf-core/utils_nfschema_plugin/meta.yml | 24 +++++++++++++++++++ .../utils_nfschema_plugin/tests/main.nf.test | 5 ++++ .../tests/nextflow.config | 2 +- 5 files changed, 39 insertions(+), 7 deletions(-) diff --git a/nextflow.config b/nextflow.config index 24fce141..6851218c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -392,7 +392,7 @@ manifest { // Nextflow plugins plugins { - id 'nf-schema@2.5.1' // Validation of pipeline parameters and creation of an input channel from a sample sheet + id 'nf-schema@2.7.2' // Validation of pipeline parameters and creation of an input channel from a sample sheet } validation { diff --git a/subworkflows/nf-core/utils_nfschema_plugin/main.nf b/subworkflows/nf-core/utils_nfschema_plugin/main.nf index ee4738c8..9ff0681f 100644 --- a/subworkflows/nf-core/utils_nfschema_plugin/main.nf +++ b/subworkflows/nf-core/utils_nfschema_plugin/main.nf @@ -22,6 +22,7 @@ workflow UTILS_NFSCHEMA_PLUGIN { before_text // string: text to show before the help message and parameters summary after_text // string: text to show after the help message and parameters summary command // string: an example command of the pipeline + cli_typecast // boolean: whether to perform typecasting of CLI parameters. Set this to `null` to use the default behaviour main: @@ -34,11 +35,11 @@ workflow UTILS_NFSCHEMA_PLUGIN { fullHelp: help_full, ] if(parameters_schema) { - help_options << [parametersSchema: parameters_schema] + help_options << [parameters_schema: parameters_schema] } log.info paramsHelp( help_options, - params.help instanceof String ? params.help : "", + (help instanceof String && help != "true") ? help : "", ) exit 0 } @@ -50,7 +51,7 @@ workflow UTILS_NFSCHEMA_PLUGIN { summary_options = [:] if(parameters_schema) { - summary_options << [parametersSchema: parameters_schema] + summary_options << [parameters_schema: parameters_schema] } log.info before_text log.info paramsSummaryLog(summary_options, input_workflow) @@ -63,7 +64,10 @@ workflow UTILS_NFSCHEMA_PLUGIN { if(validate_params) { validateOptions = [:] if(parameters_schema) { - validateOptions << [parametersSchema: parameters_schema] + validateOptions << [parameters_schema: parameters_schema] + } + if(cli_typecast != null) { + validateOptions << [cast_cli_params: cli_typecast] } validateParameters(validateOptions) } @@ -71,4 +75,3 @@ workflow UTILS_NFSCHEMA_PLUGIN { emit: dummy_emit = true } - diff --git a/subworkflows/nf-core/utils_nfschema_plugin/meta.yml b/subworkflows/nf-core/utils_nfschema_plugin/meta.yml index f7d9f028..1d8c75a9 100644 --- a/subworkflows/nf-core/utils_nfschema_plugin/meta.yml +++ b/subworkflows/nf-core/utils_nfschema_plugin/meta.yml @@ -25,6 +25,30 @@ input: option. When this input is empty it will automatically use the configured schema or "${projectDir}/nextflow_schema.json" as default. The schema should not be given in this way for meta pipelines. + - help: + type: boolean, string + description: | + Show the help message and exit. When a parameter name is given, show the help message for that parameter instead of the general help message. + - help_full: + type: boolean + description: Show the full help message and exit. + - show_hidden: + type: boolean + description: Show hidden parameters in the help message. + - before_text: + type: string + description: Text to show before the parameters summary and help message. + - after_text: + type: string + description: Text to show after the parameters summary and help message. + - command: + type: string + description: An example command to run the pipeline, to show in the help message and the summary. + - cli_typecast: + type: boolean + description: | + Whether to apply typecasting to the parameters given via the CLI before validation. + Set this to `null` to use the default behavior. output: - dummy_emit: type: boolean diff --git a/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test index c977917a..1fd1eac1 100644 --- a/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test @@ -31,6 +31,7 @@ nextflow_workflow { input[6] = "" input[7] = "" input[8] = "" + input[9] = null """ } } @@ -63,6 +64,7 @@ nextflow_workflow { input[6] = "" input[7] = "" input[8] = "" + input[9] = null """ } } @@ -95,6 +97,7 @@ nextflow_workflow { input[6] = "" input[7] = "" input[8] = "" + input[9] = null """ } } @@ -127,6 +130,7 @@ nextflow_workflow { input[6] = "" input[7] = "" input[8] = "" + input[9] = null """ } } @@ -160,6 +164,7 @@ nextflow_workflow { input[6] = "Before" input[7] = "After" input[8] = "nextflow run test/test" + input[9] = null """ } } diff --git a/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config index 8d8c7371..fd71cb8f 100644 --- a/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config @@ -1,5 +1,5 @@ plugins { - id "nf-schema@2.5.1" + id "nf-schema@2.7.2" } validation { From 7b88bdd734dca7a4babe1499d6fae94e551a708f Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 12:02:17 +0200 Subject: [PATCH 21/41] update subworkflow/nf-core/ultis_nextflow_pipeline --- .../nf-core/utils_nextflow_pipeline/main.nf | 20 +++++++++++++++---- .../tests/main.function.nf.test | 4 ++-- .../tests/main.function.nf.test.snap | 2 +- 3 files changed, 19 insertions(+), 7 deletions(-) diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index d6e593e8..37939acd 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -73,11 +73,23 @@ def getWorkflowVersion() { def dumpParametersToJSON(outdir) { def timestamp = new java.util.Date().format('yyyy-MM-dd_HH-mm-ss') def filename = "params_${timestamp}.json" - def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") - def jsonStr = groovy.json.JsonOutput.toJson(params) + def temp_pf = workflow.launchDir.resolve(".${filename}") + def jsonGenerator = new groovy.json.JsonGenerator.Options() + .excludeNulls() + .addConverter(Path) { Path path -> path.toUriString() } + .addConverter(Duration) { Duration duration -> duration.toMillis() } + .addConverter(MemoryUnit) { MemoryUnit memory -> memory.toBytes() } + .addConverter(nextflow.script.types.VersionNumber) { nextflow.script.types.VersionNumber version -> version.toString() } + .build() + def jsonStr = jsonGenerator.toJson(params) temp_pf.text = groovy.json.JsonOutput.prettyPrint(jsonStr) - - nextflow.extension.FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") + if (outdir instanceof Path) { + temp_pf.copyTo(outdir.resolve("pipeline_info/${filename}")) + } else if (outdir instanceof String) { + temp_pf.copyTo("${outdir}/pipeline_info/params_${timestamp}.json") + } else { + log.warn("Could not determine type of outdir, parameters JSON file will not be copied to output directory!") + } temp_pf.delete() } diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test index 897d6681..68718e4f 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test @@ -40,9 +40,9 @@ nextflow_function { } } - test("Test Function checkCondachannels") { + test("Test Function checkCondaChannels") { - function "checkCondachannels" + function "checkCondaChannels" then { assertAll( diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap index f03a352a..e3f0baf4 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.function.nf.test.snap @@ -9,7 +9,7 @@ }, "timestamp": "2024-02-28T12:02:05.308243" }, - "Test Function checkCondachannels": { + "Test Function checkCondaChannels": { "content": null, "meta": { "nf-test": "0.8.4", From bb1dba8c7ccd0a9b471c12373d5f16acffdef9b1 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 12:04:23 +0200 Subject: [PATCH 22/41] tiny change to modules.config --- conf/modules.config | 1 - 1 file changed, 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 4e8e2b9b..b54d8b9b 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -381,7 +381,6 @@ process { // ---------------------------- spoQC ----------------------------------------- - // spoQC withName: SPOQC_ANALYSIS_OVERVIEW { publishDir = [ path: { "${params.outdir}/spoqc" }, From 32ffd2038f28b65240d14f0b08cbf53b4a5a6813 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 12:06:32 +0200 Subject: [PATCH 23/41] simplify for spoqc the modules.config --- conf/modules.config | 176 +------------------------------------------- 1 file changed, 1 insertion(+), 175 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index b54d8b9b..65b3418d 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -381,181 +381,7 @@ process { // ---------------------------- spoQC ----------------------------------------- - withName: SPOQC_ANALYSIS_OVERVIEW { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_ANALYSIS_CATEGORY { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_ANALYSIS_CLUSTER { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_ANNOTATION { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_BUBBLE { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_CELL { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_CELLCYCLE { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_COMBINE_MASKS { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_DOUBLET { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_GENERAL { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_AMBIENT { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQCR_IDENT { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQCR_CELLTYPE { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQPR_BOUNDING_BOX { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQPR_CELLTYPE { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQPR_CLUSTERING { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQPR_METRICES { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQPR_REFINEMENT { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQTR_BOUNDING_BOX { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQTR_CELLTYPE { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQTR_CLUSTERING { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQTR_METRICES { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQTR_AC { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQTR_QV { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_HQTR_REFINEMENT { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_MARKER { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_MODEL { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_TRANSCRIPT { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_VOID { - publishDir = [ - path: { "${params.outdir}/spoqc" }, - mode: params.publish_dir_mode, - ] - } - withName: SPOQC_WHOLE_SLIDE { + withName: '.*SPOQC_.*' { publishDir = [ path: { "${params.outdir}/spoqc" }, mode: params.publish_dir_mode, From 55d48d9c5f365aa807e48ca4bf3096ce4f462b94 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 12:31:43 +0200 Subject: [PATCH 24/41] change to spoqc resources --- conf/base.config | 18 ++++++++++++++++++ modules/local/spoQC/ambient/main.nf | 2 +- modules/local/spoQC/analysis_category/main.nf | 2 +- modules/local/spoQC/analysis_cluster/main.nf | 2 +- modules/local/spoQC/analysis_overview/main.nf | 2 +- modules/local/spoQC/annotation/main.nf | 2 +- modules/local/spoQC/combine_masks/main.nf | 2 +- modules/local/spoQC/doublet/main.nf | 2 +- modules/local/spoQC/finalreport/main.nf | 2 +- modules/local/spoQC/general/main.nf | 2 +- modules/local/spoQC/hqcr_ident/main.nf | 2 +- modules/local/spoQC/hqpr_bounding_box/main.nf | 2 +- modules/local/spoQC/hqtr_bounding_box/main.nf | 2 +- modules/local/spoQC/void/main.nf | 2 +- modules/local/spoQC/whole_slide/main.nf | 2 +- 15 files changed, 32 insertions(+), 14 deletions(-) diff --git a/conf/base.config b/conf/base.config index 27686894..18a8c70b 100644 --- a/conf/base.config +++ b/conf/base.config @@ -63,6 +63,24 @@ process { time = { 24.h * task.attempt } } + withLabel:process_xlcpu_lowmem { + cpus = { 20 * task.attempt } + memory = { 50.GB * task.attempt } + time = { 24.h * task.attempt } + } + + withLabel:process_medcpu_xlmem { + cpus = { 10 * task.attempt } + memory = { 150.GB * task.attempt } + time = { 24.h * task.attempt } + } + + withLabel:process_lowcpu_highmem { + cpus = { 4 * task.attempt } + memory = { 80.GB * task.attempt } + time = { 24.h * task.attempt } + } + withLabel:process_long { time = { 20.h * task.attempt } } diff --git a/modules/local/spoQC/ambient/main.nf b/modules/local/spoQC/ambient/main.nf index f04f24e4..9c6c74c8 100644 --- a/modules/local/spoQC/ambient/main.nf +++ b/modules/local/spoQC/ambient/main.nf @@ -1,7 +1,7 @@ process SPOQC_AMBIENT { tag "$meta.id" - label 'process_high' + label 'process_xlcpu_lowmem' label 'spoqc' container "heylf/spoqc:0.0.1" diff --git a/modules/local/spoQC/analysis_category/main.nf b/modules/local/spoQC/analysis_category/main.nf index 5924f9a3..1df4623e 100644 --- a/modules/local/spoQC/analysis_category/main.nf +++ b/modules/local/spoQC/analysis_category/main.nf @@ -1,6 +1,6 @@ process SPOQC_ANALYSIS_CATEGORY { tag "${meta.id}" - label 'process_xl' + label 'process_medcpu_xlmem' label 'spoqc' diff --git a/modules/local/spoQC/analysis_cluster/main.nf b/modules/local/spoQC/analysis_cluster/main.nf index eb4a953c..ac28720f 100644 --- a/modules/local/spoQC/analysis_cluster/main.nf +++ b/modules/local/spoQC/analysis_cluster/main.nf @@ -1,6 +1,6 @@ process SPOQC_ANALYSIS_CLUSTER { tag "${meta.id}" - label 'process_xl' + label 'process_medcpu_xlmem' label 'spoqc' diff --git a/modules/local/spoQC/analysis_overview/main.nf b/modules/local/spoQC/analysis_overview/main.nf index 21046396..91516b6d 100644 --- a/modules/local/spoQC/analysis_overview/main.nf +++ b/modules/local/spoQC/analysis_overview/main.nf @@ -1,6 +1,6 @@ process SPOQC_ANALYSIS_OVERVIEW { tag "${meta.id}" - label 'process_xl' + label 'process_medcpu_xlmem' label 'spoqc' diff --git a/modules/local/spoQC/annotation/main.nf b/modules/local/spoQC/annotation/main.nf index d2427e8b..4001da4e 100644 --- a/modules/local/spoQC/annotation/main.nf +++ b/modules/local/spoQC/annotation/main.nf @@ -1,7 +1,7 @@ process SPOQC_ANNOTATION { tag "$meta.id" - label 'process_high' + label 'process_xlcpu_lowmem' label 'spoqc' diff --git a/modules/local/spoQC/combine_masks/main.nf b/modules/local/spoQC/combine_masks/main.nf index a0f8027f..24c99354 100644 --- a/modules/local/spoQC/combine_masks/main.nf +++ b/modules/local/spoQC/combine_masks/main.nf @@ -1,6 +1,6 @@ process SPOQC_COMBINE_MASKS { tag "${meta.id}_${staining}" - label 'process_xl' + label 'process_medcpu_xlmem' label 'spoqc' diff --git a/modules/local/spoQC/doublet/main.nf b/modules/local/spoQC/doublet/main.nf index 643576ca..5334e6c6 100644 --- a/modules/local/spoQC/doublet/main.nf +++ b/modules/local/spoQC/doublet/main.nf @@ -1,7 +1,7 @@ process SPOQC_DOUBLET { tag "$meta.id" - label 'process_xl' + label 'process_xlcpu_lowmem' label 'spoqc' diff --git a/modules/local/spoQC/finalreport/main.nf b/modules/local/spoQC/finalreport/main.nf index c9640017..1afee0a1 100644 --- a/modules/local/spoQC/finalreport/main.nf +++ b/modules/local/spoQC/finalreport/main.nf @@ -1,6 +1,6 @@ process SPOQC_FINALREPORT { tag "${meta.id}" - label 'process_xl' + label 'process_medium' label 'spoqc' diff --git a/modules/local/spoQC/general/main.nf b/modules/local/spoQC/general/main.nf index ff0ea892..88619d55 100644 --- a/modules/local/spoQC/general/main.nf +++ b/modules/local/spoQC/general/main.nf @@ -1,7 +1,7 @@ process SPOQC_GENERAL { tag "$meta.id" - label 'process_xl' + label 'process_medium' label 'spoqc' diff --git a/modules/local/spoQC/hqcr_ident/main.nf b/modules/local/spoQC/hqcr_ident/main.nf index 07687322..d2a52048 100644 --- a/modules/local/spoQC/hqcr_ident/main.nf +++ b/modules/local/spoQC/hqcr_ident/main.nf @@ -1,7 +1,7 @@ process SPOQC_HQCR_IDENT { tag "$meta.id" - label 'process_xl' + label 'process_lowcpu_highmem' label 'spoqc' diff --git a/modules/local/spoQC/hqpr_bounding_box/main.nf b/modules/local/spoQC/hqpr_bounding_box/main.nf index 6d091d6e..0c1adb33 100644 --- a/modules/local/spoQC/hqpr_bounding_box/main.nf +++ b/modules/local/spoQC/hqpr_bounding_box/main.nf @@ -1,7 +1,7 @@ process SPOQC_HQPR_BOUNDING_BOX { tag "${meta.id}_${staining}" - label 'process_medium' + label 'process_high_memory' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_bounding_box/main.nf b/modules/local/spoQC/hqtr_bounding_box/main.nf index e03c499a..c90c858a 100644 --- a/modules/local/spoQC/hqtr_bounding_box/main.nf +++ b/modules/local/spoQC/hqtr_bounding_box/main.nf @@ -1,6 +1,6 @@ process SPOQC_HQTR_BOUNDING_BOX { tag "$meta.id" - label 'process_xl' + label 'process_high_memory' label 'spoqc' diff --git a/modules/local/spoQC/void/main.nf b/modules/local/spoQC/void/main.nf index 8184a2b4..e091f8dd 100644 --- a/modules/local/spoQC/void/main.nf +++ b/modules/local/spoQC/void/main.nf @@ -1,7 +1,7 @@ process SPOQC_VOID { tag "$meta.id" - label 'process_xl' + label 'process_xlcpu_lowmem' label 'spoqc' diff --git a/modules/local/spoQC/whole_slide/main.nf b/modules/local/spoQC/whole_slide/main.nf index dd994640..c80bf058 100644 --- a/modules/local/spoQC/whole_slide/main.nf +++ b/modules/local/spoQC/whole_slide/main.nf @@ -1,7 +1,7 @@ process SPOQC_WHOLE_SLIDE { tag "$meta.id" - label 'process_xl' + label 'process_low' label 'spoqc' From 0de40f43fa185b4dbb703c5419ebd7c020d327a3 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 14:26:01 +0200 Subject: [PATCH 25/41] add combinatorial cpu labels to base.config --- conf/base.config | 114 ++++++++++++++++++++++++++++++++++++----------- 1 file changed, 88 insertions(+), 26 deletions(-) diff --git a/conf/base.config b/conf/base.config index 18a8c70b..8cd5a228 100644 --- a/conf/base.config +++ b/conf/base.config @@ -63,24 +63,6 @@ process { time = { 24.h * task.attempt } } - withLabel:process_xlcpu_lowmem { - cpus = { 20 * task.attempt } - memory = { 50.GB * task.attempt } - time = { 24.h * task.attempt } - } - - withLabel:process_medcpu_xlmem { - cpus = { 10 * task.attempt } - memory = { 150.GB * task.attempt } - time = { 24.h * task.attempt } - } - - withLabel:process_lowcpu_highmem { - cpus = { 4 * task.attempt } - memory = { 80.GB * task.attempt } - time = { 24.h * task.attempt } - } - withLabel:process_long { time = { 20.h * task.attempt } } @@ -98,14 +80,80 @@ process { maxRetries = 2 } - // That needs to be included for some processes, esle kalleido failes because of tmp dir issues. - withLabel:spoqc { - beforeScript = { - """ - export TMPDIR=\${SLURM_TMPDIR:-\$NXF_TASK_WORKDIR/tmp} - mkdir -p \$TMPDIR - """ - } + // ========================================================================= + // Combinatorial CPU labels + // ========================================================================= + + // ========================= + // CPU + // ========================= + + withLabel:process_tiny_cpu { + cpus = { 1 * task.attempt } + } + + withLabel:process_low_cpus { + cpus = { 4 * task.attempt } + } + + withLabel:process_mid_cpus { + cpus = { 8 * task.attempt } + } + + withLabel:process_high_cpus { + cpus = { 12 * task.attempt } + } + + withLabel:process_xl_cpus { + cpus = { 30 * task.attempt } + } + + // ========================= + // Memory + // ========================= + + withLabel:process_tiny_mem { + memory = { 10.GB * task.attempt } + } + + withLabel:process_low_mem { + memory = { 30.GB * task.attempt } + } + + withLabel:process_mid_mem { + memory = { 50.GB * task.attempt } + } + + withLabel:process_high_mem { + memory = { 100.GB * task.attempt } + } + + withLabel:process_xl_mem { + memory = { 250.GB * task.attempt } + } + + // ========================= + // Time + // ========================= + + withLabel:process_tiny_time { + time = { 4.h * task.attempt } + } + + withLabel:process_low_time { + time = { 8.h * task.attempt } + } + + withLabel:process_mid_time { + time = { 16.h * task.attempt } + } + + withLabel:process_high_time { + time = { 24.h * task.attempt } + } + + withLabel:process_xl_time { + time = { 72.h * task.attempt } } // ========================================================================= @@ -128,4 +176,18 @@ process { time = { 16.h * task.attempt } } + // ========================================================================= + // Extra labels + // ========================================================================= + + // That needs to be included for some processes, esle kalleido failes because of tmp dir issues. + withLabel:spoqc { + beforeScript = { + """ + export TMPDIR=\${SLURM_TMPDIR:-\$NXF_TASK_WORKDIR/tmp} + mkdir -p \$TMPDIR + """ + } + } + } From 3df9d01c3e3463c95f4ac814bc51ea010ae00566 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 14:26:16 +0200 Subject: [PATCH 26/41] add combinatorial cpu labels to spoqc modules --- modules/local/spoQC/ambient/main.nf | 4 +++- modules/local/spoQC/analysis_category/main.nf | 4 +++- modules/local/spoQC/analysis_cluster/main.nf | 4 +++- modules/local/spoQC/analysis_overview/main.nf | 4 +++- modules/local/spoQC/annotation/main.nf | 4 +++- modules/local/spoQC/bubble/main.nf | 4 +++- modules/local/spoQC/cell/main.nf | 4 +++- modules/local/spoQC/cellcycle/main.nf | 4 +++- modules/local/spoQC/combine_masks/main.nf | 4 +++- modules/local/spoQC/doublet/main.nf | 4 +++- modules/local/spoQC/finalreport/main.nf | 4 +++- modules/local/spoQC/general/main.nf | 4 +++- modules/local/spoQC/hqcr_celltype/main.nf | 4 +++- modules/local/spoQC/hqcr_ident/main.nf | 4 +++- modules/local/spoQC/hqpr_bounding_box/main.nf | 4 +++- modules/local/spoQC/hqpr_celltype/main.nf | 4 +++- modules/local/spoQC/hqpr_clustering/main.nf | 4 +++- modules/local/spoQC/hqpr_metrices/main.nf | 4 +++- modules/local/spoQC/hqpr_refinement/main.nf | 4 +++- modules/local/spoQC/hqtr_ac/main.nf | 4 +++- modules/local/spoQC/hqtr_bounding_box/main.nf | 4 +++- modules/local/spoQC/hqtr_celltype/main.nf | 4 +++- modules/local/spoQC/hqtr_clustering/main.nf | 4 +++- modules/local/spoQC/hqtr_metrices/main.nf | 4 +++- modules/local/spoQC/hqtr_qv/main.nf | 4 +++- modules/local/spoQC/hqtr_refinement/main.nf | 4 +++- modules/local/spoQC/marker/main.nf | 4 +++- modules/local/spoQC/model/main.nf | 4 +++- modules/local/spoQC/transcript/main.nf | 4 +++- modules/local/spoQC/void/main.nf | 4 +++- modules/local/spoQC/whole_slide/main.nf | 4 +++- 31 files changed, 93 insertions(+), 31 deletions(-) diff --git a/modules/local/spoQC/ambient/main.nf b/modules/local/spoQC/ambient/main.nf index 9c6c74c8..fcb448e6 100644 --- a/modules/local/spoQC/ambient/main.nf +++ b/modules/local/spoQC/ambient/main.nf @@ -1,7 +1,9 @@ process SPOQC_AMBIENT { tag "$meta.id" - label 'process_xlcpu_lowmem' + label 'process_high_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' container "heylf/spoqc:0.0.1" diff --git a/modules/local/spoQC/analysis_category/main.nf b/modules/local/spoQC/analysis_category/main.nf index 1df4623e..5a3a99f9 100644 --- a/modules/local/spoQC/analysis_category/main.nf +++ b/modules/local/spoQC/analysis_category/main.nf @@ -1,6 +1,8 @@ process SPOQC_ANALYSIS_CATEGORY { tag "${meta.id}" - label 'process_medcpu_xlmem' + label 'process_high_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/analysis_cluster/main.nf b/modules/local/spoQC/analysis_cluster/main.nf index ac28720f..49743749 100644 --- a/modules/local/spoQC/analysis_cluster/main.nf +++ b/modules/local/spoQC/analysis_cluster/main.nf @@ -1,6 +1,8 @@ process SPOQC_ANALYSIS_CLUSTER { tag "${meta.id}" - label 'process_medcpu_xlmem' + label 'process_high_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/analysis_overview/main.nf b/modules/local/spoQC/analysis_overview/main.nf index 91516b6d..e72c1c30 100644 --- a/modules/local/spoQC/analysis_overview/main.nf +++ b/modules/local/spoQC/analysis_overview/main.nf @@ -1,6 +1,8 @@ process SPOQC_ANALYSIS_OVERVIEW { tag "${meta.id}" - label 'process_medcpu_xlmem' + label 'process_high_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/annotation/main.nf b/modules/local/spoQC/annotation/main.nf index 4001da4e..f37b8ae2 100644 --- a/modules/local/spoQC/annotation/main.nf +++ b/modules/local/spoQC/annotation/main.nf @@ -1,7 +1,9 @@ process SPOQC_ANNOTATION { tag "$meta.id" - label 'process_xlcpu_lowmem' + label 'process_xl_cpus' + label 'process_mid_mem' + label 'process_high_time' label 'spoqc' diff --git a/modules/local/spoQC/bubble/main.nf b/modules/local/spoQC/bubble/main.nf index 0bbd337c..23b52ec8 100644 --- a/modules/local/spoQC/bubble/main.nf +++ b/modules/local/spoQC/bubble/main.nf @@ -1,7 +1,9 @@ process SPOQC_BUBBLE { tag "$meta.id" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_tiny_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/cell/main.nf b/modules/local/spoQC/cell/main.nf index d81673df..0addbff9 100644 --- a/modules/local/spoQC/cell/main.nf +++ b/modules/local/spoQC/cell/main.nf @@ -1,7 +1,9 @@ process SPOQC_CELL { tag "$meta.id" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/cellcycle/main.nf b/modules/local/spoQC/cellcycle/main.nf index e22b1f58..403a8ae5 100644 --- a/modules/local/spoQC/cellcycle/main.nf +++ b/modules/local/spoQC/cellcycle/main.nf @@ -1,7 +1,9 @@ process SPOQC_CELLCYCLE { tag "$meta.id" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/combine_masks/main.nf b/modules/local/spoQC/combine_masks/main.nf index 24c99354..d1ea1719 100644 --- a/modules/local/spoQC/combine_masks/main.nf +++ b/modules/local/spoQC/combine_masks/main.nf @@ -1,6 +1,8 @@ process SPOQC_COMBINE_MASKS { tag "${meta.id}_${staining}" - label 'process_medcpu_xlmem' + label 'process_mid_cpus' + label 'process_xl_mem' + label 'process_low_time' label 'spoqc' diff --git a/modules/local/spoQC/doublet/main.nf b/modules/local/spoQC/doublet/main.nf index 5334e6c6..426ba4cd 100644 --- a/modules/local/spoQC/doublet/main.nf +++ b/modules/local/spoQC/doublet/main.nf @@ -1,7 +1,9 @@ process SPOQC_DOUBLET { tag "$meta.id" - label 'process_xlcpu_lowmem' + label 'process_high_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/finalreport/main.nf b/modules/local/spoQC/finalreport/main.nf index 1afee0a1..e0d60adc 100644 --- a/modules/local/spoQC/finalreport/main.nf +++ b/modules/local/spoQC/finalreport/main.nf @@ -1,6 +1,8 @@ process SPOQC_FINALREPORT { tag "${meta.id}" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/general/main.nf b/modules/local/spoQC/general/main.nf index 88619d55..06e6a256 100644 --- a/modules/local/spoQC/general/main.nf +++ b/modules/local/spoQC/general/main.nf @@ -1,7 +1,9 @@ process SPOQC_GENERAL { tag "$meta.id" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/hqcr_celltype/main.nf b/modules/local/spoQC/hqcr_celltype/main.nf index dcaf1406..2d673028 100644 --- a/modules/local/spoQC/hqcr_celltype/main.nf +++ b/modules/local/spoQC/hqcr_celltype/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQCR_CELLTYPE { tag "$meta.id" - label 'process_high' + label 'process_tiny_cpus' + label 'process_high_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/hqcr_ident/main.nf b/modules/local/spoQC/hqcr_ident/main.nf index d2a52048..f17e3c4d 100644 --- a/modules/local/spoQC/hqcr_ident/main.nf +++ b/modules/local/spoQC/hqcr_ident/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQCR_IDENT { tag "$meta.id" - label 'process_lowcpu_highmem' + label 'process_tiny_cpus' + label 'process_high_mem' + label 'process_low_time' label 'spoqc' diff --git a/modules/local/spoQC/hqpr_bounding_box/main.nf b/modules/local/spoQC/hqpr_bounding_box/main.nf index 0c1adb33..b3174e40 100644 --- a/modules/local/spoQC/hqpr_bounding_box/main.nf +++ b/modules/local/spoQC/hqpr_bounding_box/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQPR_BOUNDING_BOX { tag "${meta.id}_${staining}" - label 'process_high_memory' + label 'process_high_cpus' + label 'process_high_mem' + label 'process_low_time' label 'spoqc' diff --git a/modules/local/spoQC/hqpr_celltype/main.nf b/modules/local/spoQC/hqpr_celltype/main.nf index 8f418292..44b48e63 100644 --- a/modules/local/spoQC/hqpr_celltype/main.nf +++ b/modules/local/spoQC/hqpr_celltype/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQPR_CELLTYPE { tag "${meta.id}_${staining}" - label 'process_xl' + label 'process_tiny_cpus' + label 'process_high_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/hqpr_clustering/main.nf b/modules/local/spoQC/hqpr_clustering/main.nf index 6c74a568..ddd7dd44 100644 --- a/modules/local/spoQC/hqpr_clustering/main.nf +++ b/modules/local/spoQC/hqpr_clustering/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQPR_CLUSTERING { tag "${meta.id}_${staining}" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_xl_time' label 'spoqc' diff --git a/modules/local/spoQC/hqpr_metrices/main.nf b/modules/local/spoQC/hqpr_metrices/main.nf index da697ed8..b8cc64f8 100644 --- a/modules/local/spoQC/hqpr_metrices/main.nf +++ b/modules/local/spoQC/hqpr_metrices/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQPR_METRICES { tag "${meta.id}_${staining}" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/hqpr_refinement/main.nf b/modules/local/spoQC/hqpr_refinement/main.nf index bd3703ec..bf4e745a 100644 --- a/modules/local/spoQC/hqpr_refinement/main.nf +++ b/modules/local/spoQC/hqpr_refinement/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQPR_REFINEMENT { tag "${meta.id}_${staining}" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_ac/main.nf b/modules/local/spoQC/hqtr_ac/main.nf index a827d8a8..a86006d7 100644 --- a/modules/local/spoQC/hqtr_ac/main.nf +++ b/modules/local/spoQC/hqtr_ac/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQTR_AC { tag "$meta.id" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_bounding_box/main.nf b/modules/local/spoQC/hqtr_bounding_box/main.nf index c90c858a..7723e350 100644 --- a/modules/local/spoQC/hqtr_bounding_box/main.nf +++ b/modules/local/spoQC/hqtr_bounding_box/main.nf @@ -1,6 +1,8 @@ process SPOQC_HQTR_BOUNDING_BOX { tag "$meta.id" - label 'process_high_memory' + label 'process_high_cpus' + label 'process_high_mem' + label 'process_low_time' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_celltype/main.nf b/modules/local/spoQC/hqtr_celltype/main.nf index 0aeb02fd..521afde9 100644 --- a/modules/local/spoQC/hqtr_celltype/main.nf +++ b/modules/local/spoQC/hqtr_celltype/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQTR_CELLTYPE { tag "$meta.id" - label 'process_xl' + label 'process_tiny_cpus' + label 'process_high_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_clustering/main.nf b/modules/local/spoQC/hqtr_clustering/main.nf index 481751b9..801a0357 100644 --- a/modules/local/spoQC/hqtr_clustering/main.nf +++ b/modules/local/spoQC/hqtr_clustering/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQTR_CLUSTERING { tag "$meta.id" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_xl_time' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_metrices/main.nf b/modules/local/spoQC/hqtr_metrices/main.nf index 351043ac..999f6d9b 100644 --- a/modules/local/spoQC/hqtr_metrices/main.nf +++ b/modules/local/spoQC/hqtr_metrices/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQTR_METRICES { tag "$meta.id" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_qv/main.nf b/modules/local/spoQC/hqtr_qv/main.nf index 8745ac2d..f604d620 100644 --- a/modules/local/spoQC/hqtr_qv/main.nf +++ b/modules/local/spoQC/hqtr_qv/main.nf @@ -1,7 +1,9 @@ process SPOQC_HQTR_QV { tag "$meta.id" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/hqtr_refinement/main.nf b/modules/local/spoQC/hqtr_refinement/main.nf index d7b42b73..ea579132 100644 --- a/modules/local/spoQC/hqtr_refinement/main.nf +++ b/modules/local/spoQC/hqtr_refinement/main.nf @@ -1,6 +1,8 @@ process SPOQC_HQTR_REFINEMENT { tag "$meta.id" - label 'process_xl' + label 'process_xl_cpus' + label 'process_xl_mem' + label 'process_mid_time' label 'spoqc' diff --git a/modules/local/spoQC/marker/main.nf b/modules/local/spoQC/marker/main.nf index c6100b0b..5a7a7da1 100644 --- a/modules/local/spoQC/marker/main.nf +++ b/modules/local/spoQC/marker/main.nf @@ -1,6 +1,8 @@ process SPOQC_MARKER { tag "$meta.id" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/model/main.nf b/modules/local/spoQC/model/main.nf index 65c3d56f..6cd30aec 100644 --- a/modules/local/spoQC/model/main.nf +++ b/modules/local/spoQC/model/main.nf @@ -1,6 +1,8 @@ process SPOQC_MODEL { tag "$meta.id" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/transcript/main.nf b/modules/local/spoQC/transcript/main.nf index 2fd5b098..be941f0b 100644 --- a/modules/local/spoQC/transcript/main.nf +++ b/modules/local/spoQC/transcript/main.nf @@ -1,7 +1,9 @@ process SPOQC_TRANSCRIPT { tag "$meta.id" - label 'process_medium' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' diff --git a/modules/local/spoQC/void/main.nf b/modules/local/spoQC/void/main.nf index e091f8dd..99b656e0 100644 --- a/modules/local/spoQC/void/main.nf +++ b/modules/local/spoQC/void/main.nf @@ -1,7 +1,9 @@ process SPOQC_VOID { tag "$meta.id" - label 'process_xlcpu_lowmem' + label 'process_xl_cpus' + label 'process_low_mem' + label 'process_low_time' label 'spoqc' diff --git a/modules/local/spoQC/whole_slide/main.nf b/modules/local/spoQC/whole_slide/main.nf index c80bf058..5498fac5 100644 --- a/modules/local/spoQC/whole_slide/main.nf +++ b/modules/local/spoQC/whole_slide/main.nf @@ -1,7 +1,9 @@ process SPOQC_WHOLE_SLIDE { tag "$meta.id" - label 'process_low' + label 'process_tiny_cpus' + label 'process_low_mem' + label 'process_tiny_time' label 'spoqc' From 1bc8bf7c1660aac64202365589a506594670e56b Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 14:34:09 +0200 Subject: [PATCH 27/41] bugfix because of new nf-core schema version --- subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf b/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf index f5484986..f4786715 100644 --- a/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf @@ -98,7 +98,8 @@ workflow PIPELINE_INITIALISATION { show_hidden, before_text, after_text, - command + command, + null ) // From 65ff8f291be9a4bbc0ee3019a1a826744ba0fc44 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 15:37:53 +0200 Subject: [PATCH 28/41] remove spatialdata write from spoqc subworkflow, hcange ot main.nf --- subworkflows/local/spoqc/main.nf | 90 ++++++++++---------------------- 1 file changed, 29 insertions(+), 61 deletions(-) diff --git a/subworkflows/local/spoqc/main.nf b/subworkflows/local/spoqc/main.nf index 2dcf5b93..ff65aef6 100644 --- a/subworkflows/local/spoqc/main.nf +++ b/subworkflows/local/spoqc/main.nf @@ -45,44 +45,12 @@ include { SPOQC_FINALREPORT } from '../../../modules/local/spoQC/finalrepo workflow SPOQC { take: - ch_bundle_path // channel: [ val(meta), [ "path-to-xenium-bundle" ] ] + ch_sd_bundle // channel: [ val(meta), [ "path-to-spatialdata-bundle" ] ] ch_annotation_src // channel: [ [ "path-to-annotation-file" ] ] ch_stainings // channel: [ [ 1,2,.... ] ] main: - if ( params.nucleus_segmentation_only && params.cell_segmentation_only ) { - - ch_segmented_object = channel.value('cells_and_nuclei') - - } - - else if ( params.nucleus_segmentation_only ) { - - ch_segmented_object = channel.value('nuclei') - - } - - else if ( params.cell_segmentation_only ) { - - ch_segmented_object = channel.value('cells') - - } else { - - ch_segmented_object = channel.value([]) - - } - - ch_coordinate_space = channel.value("all") - - // write spatialdata object from the raw xenium bundle - SPATIALDATA_WRITE_RAW_BUNDLE ( - ch_bundle_path, - 'spatialdata_raw', - ch_segmented_object, - ch_coordinate_space, - ) - // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // General // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -91,46 +59,46 @@ workflow SPOQC { ch_annotation_present = ch_annotation_src.filter { a -> a && (!(a instanceof List) || !a.isEmpty()) } SPOQC_ANNOTATION( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_src, "annotation", ) ch_annotation_path = ch_annotation_present.mix( SPOQC_ANNOTATION.out.annotation ) SPOQC_GENERAL( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_path, "generalqc", ) SPOQC_WHOLE_SLIDE( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "whole_slide_qc", ) SPOQC_BUBBLE( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "bubbleqc", ) SPOQC_DOUBLET( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_path, "doubletqc", ) SPOQC_VOID( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "voidqc", ) SPOQC_CELL( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "cellqc", ) SPOQC_AMBIENT( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "ambientqc", ) @@ -139,7 +107,7 @@ workflow SPOQC { // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPOQC_HQCR_IDENT( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "hqcr_ident", SPOQC_GENERAL.out.tmp, SPOQC_BUBBLE.out.tmp, @@ -149,7 +117,7 @@ workflow SPOQC { ) SPOQC_HQCR_CELLTYPE( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_path, "hqcr_celltype", SPOQC_GENERAL.out.tmp, @@ -164,12 +132,12 @@ workflow SPOQC { // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPOQC_HQPR_METRICES( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_stainings, "hqpr_metrices", ) - ch_spatialdata_stainings = SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata.combine(ch_stainings) + ch_spatialdata_stainings = ch_sd_bundle.combine(ch_stainings) ch_annotation_stainings = ch_annotation_path.combine(ch_stainings) SPOQC_HQPR_CLUSTERING( @@ -209,23 +177,23 @@ workflow SPOQC { // HQTR // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SPOQC_HQTR_METRICES( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "hqtr_metrices", ) SPOQC_HQTR_AC( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "hqtr_ac", SPOQC_AMBIENT.out.tmp, ) SPOQC_HQTR_QV( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "hqtr_qv", ) SPOQC_HQTR_CLUSTERING( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "hqtr_clustering", SPOQC_HQTR_METRICES.out.metrices, SPOQC_HQTR_QV.out.tmp, @@ -233,19 +201,19 @@ workflow SPOQC { ) SPOQC_HQTR_REFINEMENT( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "hqtr_refinement", SPOQC_HQTR_CLUSTERING.out.mask, ) SPOQC_HQTR_BOUNDING_BOX( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "hqtr_bounding_box", SPOQC_HQTR_REFINEMENT.out.mask_smoothed, ) // SPOQC_HQTR_CELLTYPE( - // SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + // ch_sd_bundle, // ch_annotation_path, // "hqtr_celltype", // SPOQC_GENERAL.out.tmp, @@ -273,23 +241,23 @@ workflow SPOQC { ) SPOQC_TRANSCRIPT( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_path, "transcriptqc", ) SPOQC_CELLCYCLE( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "cellcycleqc", ) SPOQC_MODEL( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "modelqc", ) // SPOQC_MARKER( - // SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + // ch_sd_bundle, // ch_annotation_path, // "markerqc" // ) @@ -311,7 +279,7 @@ workflow SPOQC { .collect() SPOQC_ANALYSIS_OVERVIEW( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_path, "analysis_overview", SPOQC_GENERAL.out.tmp, @@ -332,7 +300,7 @@ workflow SPOQC { ) SPOQC_ANALYSIS_CATEGORY( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_path, "analysis_category", SPOQC_GENERAL.out.tmp, @@ -353,7 +321,7 @@ workflow SPOQC { ) SPOQC_ANALYSIS_CLUSTER( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, ch_annotation_path, "analysis_cluster", SPOQC_GENERAL.out.tmp, @@ -385,7 +353,7 @@ workflow SPOQC { ch_report_combine_masks = SPOQC_COMBINE_MASKS.out.report.collect() SPOQC_FINALREPORT( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata, + ch_sd_bundle, "final_report", SPOQC_GENERAL.out.report, SPOQC_DOUBLET.out.report, @@ -420,5 +388,5 @@ workflow SPOQC { emit: - ch_sd_raw = SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata // channel: [ val(meta), "spatialdata_raw" ] + ch_sd_raw = ch_sd_bundle // channel: [ val(meta), "spatialdata_raw" ] } From 84fbfb6db65c11079e3652cfe4d322a1fc0f9781 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 15:38:37 +0200 Subject: [PATCH 29/41] allow for qc mode only approach, change to spatialdata_write_meta_ermge subworkloe, change to mainf and spatialaxe.nf --- .../spatialdata_write_meta_merge/main.nf | 58 ++++++++++++------- workflows/spatialaxe.nf | 5 +- 2 files changed, 39 insertions(+), 24 deletions(-) diff --git a/subworkflows/local/spatialdata_write_meta_merge/main.nf b/subworkflows/local/spatialdata_write_meta_merge/main.nf index 24ce9e90..eafd156c 100644 --- a/subworkflows/local/spatialdata_write_meta_merge/main.nf +++ b/subworkflows/local/spatialdata_write_meta_merge/main.nf @@ -15,10 +15,14 @@ workflow SPATIALDATA_WRITE_META_MERGE { cell_segmentation_only // value: bool mode // value: pipeline mode (image/coordinate/...) nucleus_segmentation_only // value: bool + run_qc // value: bool main: ch_segmented_object = channel.empty() + sd_redefined_bundle = channel.empty() + sd_merged_bundle = channel.empty() + sd_metadata = channel.empty() // check segmentation - only nuclei, cells or both cells & nuclei if (mode == 'image') { @@ -38,44 +42,54 @@ workflow SPATIALDATA_WRITE_META_MERGE { } // set all boundaries as false - default - if (mode == 'coordinate') { + if (mode == 'coordinate' || mode == 'qc') { ch_segmented_object = channel.value([]) } + if (mode == 'qc' || run_qc) { + ch_coordinate_space_raw = channel.value("all") + } + // write spatialdata object from the raw xenium bundle SPATIALDATA_WRITE_RAW_BUNDLE( ch_bundle_path, 'raw_bundle', ch_segmented_object, - ch_coordinate_space, + ch_coordinate_space_raw, ) + if (mode != 'qc') { + + // write spatialdata object after running IMP_SEG + SPATIALDATA_WRITE_REDEFINED_BUNDLE( + ch_redefined_bundle, + 'redefined_bundle', + ch_segmented_object, + ch_coordinate_space, + ) + sd_redefined_bundle = SPATIALDATA_WRITE_REDEFINED_BUNDLE.out.spatialdata - // write spatialdata object after running IMP_SEG - SPATIALDATA_WRITE_REDEFINED_BUNDLE( - ch_redefined_bundle, - 'redefined_bundle', - ch_segmented_object, - ch_coordinate_space, - ) + // merge raw & redefined spatialdata objects + SPATIALDATA_MERGE_RAW_REDEFINED( + SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata.combine(ch_redefined_bundle, by: 0), + 'merged_bundle' + ) + sd_merged_bundle = SPATIALDATA_MERGE_RAW_REDEFINED.out.merged_bundle - // merge raw & redefined spatialdata objects - SPATIALDATA_MERGE_RAW_REDEFINED( - SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata.combine(ch_redefined_bundle, by: 0), - 'merged_bundle' - ) + // write metadata with spatialdata object + SPATIALDATA_META( + SPATIALDATA_MERGE_RAW_REDEFINED.out.merged_bundle.combine(ch_bundle_path, by: 0), + 'metadata' + ) + sd_metadata = SPATIALDATA_META.out.metadata - // write metadata with spatialdata object - SPATIALDATA_META( - SPATIALDATA_MERGE_RAW_REDEFINED.out.merged_bundle.combine(ch_bundle_path, by: 0), - 'metadata' - ) + } emit: sd_raw_bundle = SPATIALDATA_WRITE_RAW_BUNDLE.out.spatialdata // channel: [ val(meta), "spatialdata_raw" ] - sd_redefined_bundle = SPATIALDATA_WRITE_REDEFINED_BUNDLE.out.spatialdata // channel: [ val(meta), "spatialdata_redefined" ] - sd_merged_bundle = SPATIALDATA_MERGE_RAW_REDEFINED.out.merged_bundle // channel: [ val(meta), "spatialdata_merged" ] - sd_metadata = SPATIALDATA_META.out.metadata // channel: [ val(meta), "spatialdata_meta" ] + sd_redefined_bundle = sd_redefined_bundle // channel: [ val(meta), "spatialdata_redefined" ] + sd_merged_bundle = sd_merged_bundle // channel: [ val(meta), "spatialdata_merged" ] + sd_metadata = sd_metadata // channel: [ val(meta), "spatialdata_meta" ] } diff --git a/workflows/spatialaxe.nf b/workflows/spatialaxe.nf index 1a09f2dc..95a3a8a9 100644 --- a/workflows/spatialaxe.nf +++ b/workflows/spatialaxe.nf @@ -625,7 +625,7 @@ workflow SPATIALAXE { */ // run spatialdata modules to generate sd objects in image or coordinate mode - if (mode == 'image' || mode == 'coordinate') { + if (mode == 'image' || mode == 'coordinate' || mode == 'qc') { SPATIALDATA_WRITE_META_MERGE( ch_bundle_path, @@ -634,6 +634,7 @@ workflow SPATIALAXE { cell_segmentation_only, mode, nucleus_segmentation_only, + run_qc, ) } @@ -659,7 +660,7 @@ workflow SPATIALAXE { if (spoqc){ SPOQC ( - ch_bundle_path, + SPATIALDATA_WRITE_META_MERGE.out.sd_raw_bundle, ch_annotation, ch_stainings, ) From bb74a0c83bbf2447111663ea48303354f44a04a5 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 15:40:04 +0200 Subject: [PATCH 30/41] add all changes to CHANGELOG.md --- CHANGELOG.md | 20 ++++++++++++++++++++ 1 file changed, 20 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index c3dbe4cf..4a721271 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,12 +9,32 @@ Initial release of nf-core/spatialaxe, created with the [nf-core](https://nf-co. ### `Added` +- Added the entire **spoQC tool and subworkflow**: `subworkflows/local/spoqc/main.nf` plus 31 new local modules under `modules/local/spoQC/` (`ambient`, `analysis_category`, `analysis_cluster`, `analysis_overview`, `annotation`, `bubble`, `cell`, `cellcycle`, `combine_masks`, `doublet`, `finalreport`, `general`, `hqcr_celltype`, `hqcr_ident`, `hqpr_bounding_box`, `hqpr_celltype`, `hqpr_clustering`, `hqpr_metrices`, `hqpr_refinement`, `hqtr_ac`, `hqtr_bounding_box`, `hqtr_celltype`, `hqtr_clustering`, `hqtr_metrices`, `hqtr_qv`, `hqtr_refinement`, `marker`, `model`, `transcript`, `void`, `whole_slide`), each with its own `main.nf`, `meta.yml`, and nf-test suite (`tests/main.nf.test` + snapshot). +- Wired spoQC into `workflows/spatialaxe.nf`. +- Added `bin/spatialdata_write.py` support for spoQC's SpatialData output. +- New test configs: `conf/tests/test_spoqc.config` and `conf/tests/test_full_spoqc.config` +- New samplesheet for a full test: `assets/samplesheet_full.csv` with `conf/test_full.config`. +- `conf/base.config`: adding combinatorial label system — separate `process_{tiny,low,mid,high,xl}_cpus`, `_mem`, and `_time` labels, each scaling with `task.attempt`. +- Added `nf-core/unzip` module usage so the pipeline can unpack the larger test dataset. +- samplesheet redefinition: `sample,bundle,image,annotation,stainings`, samplesheet allows for two additional optional columns `annotation,stainings` that are useful for the QC subworkflow. +- : Change to subworkflow to account for new `qc` mode. +- `spatialdata_write_meta_merge/main.nf`: Change to subworkflow to account for proper `qc` mode. + ### `Fixed` +- Change to input validation in `spatialaxe.nf`: Moving `morphology_focus/` folder into `bundle_optional_files` because not all Xenium bundles have such a folder. + ### `Dependencies` ### `Deprecated` +- `nextflow.config`: bumped the `nf-schema` plugin version. +- `subworkflows/nf-core/utils_nfschema_plugin/main.nf`: added a new `cli_typecast` input (pass `null` to keep default behavior), renamed the `parametersSchema` option key to `parameters_schema` across the help/summary/validate option maps, and fixed how the `--help` text value is resolved. +- `subworkflows/nf-core/utils_nextflow_pipeline/main.nf`: bumped the version. +- `subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf`: passes the new `cli_typecast` argument (`null`) through to `UTILS_NFSCHEMA_PLUGIN`. +- `nextflow_schema.json`: cleanup driven by the new schema version. +- Change to `bin/spatialdata_write.py`: Adding an `all` mode to set all available features to `True`, which is important for QC. + ## 1.0.1 - [06.08.2026] Hotfix to tackle some bugs From 9236b5f19bd9a9a9bc7ead236c6f6c67c600b40a Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 15:49:56 +0200 Subject: [PATCH 31/41] fix in CHANGELOG.md --- CHANGELOG.md | 1 - 1 file changed, 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 4a721271..9eb26214 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -17,7 +17,6 @@ Initial release of nf-core/spatialaxe, created with the [nf-core](https://nf-co. - `conf/base.config`: adding combinatorial label system — separate `process_{tiny,low,mid,high,xl}_cpus`, `_mem`, and `_time` labels, each scaling with `task.attempt`. - Added `nf-core/unzip` module usage so the pipeline can unpack the larger test dataset. - samplesheet redefinition: `sample,bundle,image,annotation,stainings`, samplesheet allows for two additional optional columns `annotation,stainings` that are useful for the QC subworkflow. -- : Change to subworkflow to account for new `qc` mode. - `spatialdata_write_meta_merge/main.nf`: Change to subworkflow to account for proper `qc` mode. ### `Fixed` From ccca85e39e5684570472f7208adb7af4366db7f6 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 15:52:14 +0200 Subject: [PATCH 32/41] change to CHANGELOG.md --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 9eb26214..04de5b1c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -18,6 +18,7 @@ Initial release of nf-core/spatialaxe, created with the [nf-core](https://nf-co. - Added `nf-core/unzip` module usage so the pipeline can unpack the larger test dataset. - samplesheet redefinition: `sample,bundle,image,annotation,stainings`, samplesheet allows for two additional optional columns `annotation,stainings` that are useful for the QC subworkflow. - `spatialdata_write_meta_merge/main.nf`: Change to subworkflow to account for proper `qc` mode. +- Change to `bin/spatialdata_write.py`: Adding an `all` mode to set all available features to `True`, which is important for QC. ### `Fixed` @@ -32,7 +33,6 @@ Initial release of nf-core/spatialaxe, created with the [nf-core](https://nf-co. - `subworkflows/nf-core/utils_nextflow_pipeline/main.nf`: bumped the version. - `subworkflows/local/utils_nfcore_spatialaxe_pipeline/main.nf`: passes the new `cli_typecast` argument (`null`) through to `UTILS_NFSCHEMA_PLUGIN`. - `nextflow_schema.json`: cleanup driven by the new schema version. -- Change to `bin/spatialdata_write.py`: Adding an `all` mode to set all available features to `True`, which is important for QC. ## 1.0.1 - [06.08.2026] From dfecd6e98df9c976c3a0bdb3d92cb88424dc5647 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 15:57:36 +0200 Subject: [PATCH 33/41] update to usage.md --- docs/usage.md | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/docs/usage.md b/docs/usage.md index 406f538a..062b3122 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -106,9 +106,21 @@ nextflow run nf-core/spatialaxe \ --mode qc ``` +To run [spoQC](https://github.com/heylf/spoQC) you have to set an additional option: + +```bash +nextflow run nf-core/spatialaxe \ + -profile \ + --input samplesheet.csv \ + --outdir \ + --mode qc \ + --spoqc true +``` + - QC methods: - [MultiQC Xenium Extra Plugin](https://github.com/MultiQC/xenium-extra) - [OPT](https://github.com/JEFworks-Lab/off-target-probe-tracker) + - [spoQC](https://github.com/heylf/spoQC) ### Image-based Segmentation mode (--mode image):
From 5b52705f0ea8db88609cc7fc7f8fbe11beb448c1 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 16:08:37 +0200 Subject: [PATCH 34/41] add spoqc to output.md --- docs/output.md | 50 ++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 50 insertions(+) diff --git a/docs/output.md b/docs/output.md index 68c0256a..e65019b3 100644 --- a/docs/output.md +++ b/docs/output.md @@ -21,6 +21,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - [Xenium Ranger import segmentation](#xenium-ranger-import-segmentation) - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution + - [spoQC](https://github.com/heylf/spoQC) - Report and QC metrics (see [documentation of spoQC](soon)) ## Image mode @@ -127,6 +128,55 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - `*.tsv` TSV file containing the gene and transcript information to which each probe aligns - `stat/` - `*.tsv` TSV file containing the summary stats +- `spoqc/` + - `report/` + - `annotation/` + - `unsupervised_cell_annotation.tsv` unsupervised cell-type annotation, generated only when no annotation file was supplied as input + - `whole_slide_qc/` whole-slide QC overview report + - `generalqc/` general-purpose QC report + - `bubbleqc/` bubble-artifact QC report + - `doubletqc/` doublet-detection QC report + - `voidqc/` void/empty-region QC report + - `cellqc/` cell-level QC report + - `ambientqc/` ambient-RNA (background gene) QC report + - `hqcr/` + - `hqcr_ident/` high-quality cell region (HQCR) identification report + - `hqcr_celltype/` cell-type-refined HQCR report + - `hqpr/` + - `hqpr_metrices/${staining}/` per-staining high-quality pixel region (HQPR) metrics report + - `hqpr_clustering/${staining}/` per-staining HQPR clustering report + - `hqpr_refinement/${staining}/` per-staining HQPR mask refinement report + - `hqpr_bounding_box/${staining}/` per-staining HQPR bounding-box report + - `hqtr/` + - `hqtr_metrices/` high-quality transcript region (HQTR) metrics report + - `hqtr_ac/` HQTR ambient-contamination probability report + - `hqtr_qv/` HQTR quality-value probability report + - `hqtr_clustering/` HQTR clustering report + - `hqtr_refinement/` HQTR mask refinement report + - `hqtr_bounding_box/` HQTR bounding-box report + - `combine_masks/${staining}/` report combining the HQCR, HQPR and HQTR masks per staining + - `transcriptqc/` transcript-level QC report (against the reference gene panel) + - `cellcycleqc/` cell-cycle scoring QC report + - `modelqc/` model-based QC scoring report + - `analysis/` + - `overview/` downstream QC analysis overview report + - `rna_qc_annotated.h5ad` AnnData object annotated with the combined QC results + - `category/` downstream per-category QC analysis report + - `cluster/` downstream clustering QC analysis report + - `rna_cluster.h5ad` AnnData object with clustering results + - `staining_log.txt` log of the stainings processed by spoQC + - `report.html` final self-contained HTML report aggregating every spoQC step above + - `spoQC_tmp/` intermediate data consumed by later spoQC steps + - `generalqc_output_hqcr.parquet`, `bubbleqc_output_hqcr.parquet`, `doubletqc_output_hqcr.parquet`, `voidqc_output_hqcr.parquet`, `cellqc_output_hqcr.parquet` per-step HQCR contribution scores + - `ambient_output_genes.parquet` ambient RNA gene-signal estimate + - `hqcr_output_mask_raw.parquet` / `hqcr_output_mask_smoothed_raw.parquet` combined raw/smoothed HQCR mask + - `hqcr_output_mask_smoothed_celltype_refined.parquet` cell-type-refined smoothed HQCR mask + - `metrices/hqpr/${staining}/` per-staining HQPR metrics + - `hqpr_${staining}_output_mask_raw/` / `hqpr_${staining}_output_mask_smoothed_raw/` per-staining raw/smoothed HQPR mask + - `metrices/hqtr/` HQTR metrics + - `hqtr_output_ac_prob/` HQTR ambient-contamination probabilities + - `hqtr_output_qv_prob/` HQTR quality-value probabilities + - `hqtr_output_mask_raw/` / `hqtr_output_mask_smoothed_raw/` raw/smoothed HQTR mask - `multiqc/` - `multiqc_report.html`: a standalone HTML file that can be viewed in your web browser. - `multiqc_data/`: directory containing parsed statistics from the different tools used in the pipeline. From f9ec855a28d0ae1b78232a2116c88873cefb23ff Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 16:09:27 +0200 Subject: [PATCH 35/41] change to module.jon --- modules.json | 58 ++++++++++++++-------------------------------------- 1 file changed, 15 insertions(+), 43 deletions(-) diff --git a/modules.json b/modules.json index 1a0003b6..6bcc4bde 100644 --- a/modules.json +++ b/modules.json @@ -8,87 +8,65 @@ "cellpose": { "branch": "master", "git_sha": "0780b963d3ab087e861a4b74e9d0e404115e5352", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/cellpose/cellpose.diff" }, "multiqc": { "branch": "master", "git_sha": "cb9f4bec379866ca560f7f79d9a9a06bea8c9b51", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/multiqc/multiqc.diff" }, "opt/flip": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/opt/flip/opt-flip.diff" }, "opt/stat": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/opt/stat/opt-stat.diff" }, "opt/track": { "branch": "master", "git_sha": "7d3e5c9d3d44", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/opt/track/opt-track.diff" }, "stardist": { "branch": "master", "git_sha": "4e783502ab661bed13f15189401b73c93966831f", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/stardist/stardist.diff" }, "untar": { "branch": "master", "git_sha": "447f7bc0fa41dfc2400c8cad4c0291880dc060cf", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/untar/untar.diff" }, "unzip": { "branch": "master", "git_sha": "1c43a7e22f04cf19c9f9d3de7e7e5a3addd9382a", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/unzip/unzip.diff" }, "xeniumranger/importsegmentation": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "xeniumranger/relabel": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "xeniumranger/resegment": { "branch": "master", "git_sha": "39365e944e936511e33b993cdd978e0f12adac9a", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] } } }, @@ -97,26 +75,20 @@ "utils_nextflow_pipeline": { "branch": "master", "git_sha": "1a545fcbd762911c21a64ced3dbef99b2b51ac75", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", "git_sha": "05954dab2ff481bcb999f24455da29a5828af08d", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] }, "utils_nfschema_plugin": { "branch": "master", "git_sha": "a7b27fd25bfa8dcc07d299e88bd790585901a436", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] } } } } } -} \ No newline at end of file +} From 6ff22fd301cff3f1770a021e7e85bff515737feb Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 16:22:03 +0200 Subject: [PATCH 36/41] trim white spaces --- modules/local/spoQC/ambient/main.nf | 3 +-- modules/local/spoQC/analysis_category/main.nf | 5 ++--- modules/local/spoQC/analysis_cluster/main.nf | 3 +-- modules/local/spoQC/analysis_overview/main.nf | 3 +-- modules/local/spoQC/annotation/main.nf | 3 +-- modules/local/spoQC/bubble/main.nf | 3 +-- modules/local/spoQC/cell/main.nf | 5 ++--- modules/local/spoQC/cellcycle/main.nf | 5 ++--- modules/local/spoQC/combine_masks/main.nf | 3 +-- modules/local/spoQC/doublet/main.nf | 5 ++--- modules/local/spoQC/general/main.nf | 5 ++--- modules/local/spoQC/hqcr_celltype/main.nf | 5 ++--- modules/local/spoQC/hqcr_ident/main.nf | 5 ++--- modules/local/spoQC/hqpr_bounding_box/main.nf | 3 +-- modules/local/spoQC/hqpr_celltype/main.nf | 5 ++--- modules/local/spoQC/hqpr_clustering/main.nf | 5 ++--- modules/local/spoQC/hqpr_metrices/main.nf | 3 +-- modules/local/spoQC/hqpr_refinement/main.nf | 3 +-- modules/local/spoQC/hqtr_ac/main.nf | 3 +-- modules/local/spoQC/hqtr_bounding_box/main.nf | 3 +-- modules/local/spoQC/hqtr_celltype/main.nf | 5 ++--- modules/local/spoQC/hqtr_clustering/main.nf | 5 ++--- modules/local/spoQC/hqtr_metrices/main.nf | 3 +-- modules/local/spoQC/hqtr_qv/main.nf | 3 +-- modules/local/spoQC/hqtr_refinement/main.nf | 3 +-- modules/local/spoQC/marker/main.nf | 5 ++--- modules/local/spoQC/model/main.nf | 5 ++--- modules/local/spoQC/transcript/main.nf | 5 ++--- modules/local/spoQC/void/main.nf | 5 ++--- modules/local/spoQC/whole_slide/main.nf | 3 +-- .../local/spatialdata_write_meta_merge/main.nf | 2 +- subworkflows/local/spoqc/main.nf | 12 ++++++------ workflows/spatialaxe.nf | 4 ++-- 33 files changed, 54 insertions(+), 84 deletions(-) diff --git a/modules/local/spoQC/ambient/main.nf b/modules/local/spoQC/ambient/main.nf index fcb448e6..96281e69 100644 --- a/modules/local/spoQC/ambient/main.nf +++ b/modules/local/spoQC/ambient/main.nf @@ -25,7 +25,7 @@ process SPOQC_AMBIENT { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_AMBIENT module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -52,4 +52,3 @@ process SPOQC_AMBIENT { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/analysis_category/main.nf b/modules/local/spoQC/analysis_category/main.nf index 5a3a99f9..6f81d648 100644 --- a/modules/local/spoQC/analysis_category/main.nf +++ b/modules/local/spoQC/analysis_category/main.nf @@ -4,7 +4,7 @@ process SPOQC_ANALYSIS_CATEGORY { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -40,7 +40,7 @@ process SPOQC_ANALYSIS_CATEGORY { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_ANALYSIS_CATEGORY module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' def annotation_arg = annotation ? "-a ${annotation}" : "" @@ -66,4 +66,3 @@ process SPOQC_ANALYSIS_CATEGORY { mkdir -p report/analysis/category """ } - \ No newline at end of file diff --git a/modules/local/spoQC/analysis_cluster/main.nf b/modules/local/spoQC/analysis_cluster/main.nf index 49743749..5197b6f3 100644 --- a/modules/local/spoQC/analysis_cluster/main.nf +++ b/modules/local/spoQC/analysis_cluster/main.nf @@ -4,7 +4,7 @@ process SPOQC_ANALYSIS_CLUSTER { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -68,4 +68,3 @@ process SPOQC_ANALYSIS_CLUSTER { touch report/analysis/rna_cluster.h5ad """ } - \ No newline at end of file diff --git a/modules/local/spoQC/analysis_overview/main.nf b/modules/local/spoQC/analysis_overview/main.nf index e72c1c30..2c654860 100644 --- a/modules/local/spoQC/analysis_overview/main.nf +++ b/modules/local/spoQC/analysis_overview/main.nf @@ -4,7 +4,7 @@ process SPOQC_ANALYSIS_OVERVIEW { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -68,4 +68,3 @@ process SPOQC_ANALYSIS_OVERVIEW { touch report/analysis/rna_qc_annotated.h5ad """ } - \ No newline at end of file diff --git a/modules/local/spoQC/annotation/main.nf b/modules/local/spoQC/annotation/main.nf index f37b8ae2..41145924 100644 --- a/modules/local/spoQC/annotation/main.nf +++ b/modules/local/spoQC/annotation/main.nf @@ -5,7 +5,7 @@ process SPOQC_ANNOTATION { label 'process_mid_mem' label 'process_high_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -52,4 +52,3 @@ process SPOQC_ANNOTATION { touch ./report/annotation/unsupervised_cell_annotation.tsv """ } - \ No newline at end of file diff --git a/modules/local/spoQC/bubble/main.nf b/modules/local/spoQC/bubble/main.nf index 23b52ec8..2c09d6b7 100644 --- a/modules/local/spoQC/bubble/main.nf +++ b/modules/local/spoQC/bubble/main.nf @@ -5,7 +5,7 @@ process SPOQC_BUBBLE { label 'process_tiny_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -52,4 +52,3 @@ process SPOQC_BUBBLE { touch ./spoQC_tmp/bubbleqc_output_hqcr.parquet """ } - \ No newline at end of file diff --git a/modules/local/spoQC/cell/main.nf b/modules/local/spoQC/cell/main.nf index 0addbff9..102e47d6 100644 --- a/modules/local/spoQC/cell/main.nf +++ b/modules/local/spoQC/cell/main.nf @@ -5,7 +5,7 @@ process SPOQC_CELL { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -26,7 +26,7 @@ process SPOQC_CELL { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_CELL module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -53,4 +53,3 @@ process SPOQC_CELL { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/cellcycle/main.nf b/modules/local/spoQC/cellcycle/main.nf index 403a8ae5..b293fb71 100644 --- a/modules/local/spoQC/cellcycle/main.nf +++ b/modules/local/spoQC/cellcycle/main.nf @@ -5,7 +5,7 @@ process SPOQC_CELLCYCLE { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -22,7 +22,7 @@ process SPOQC_CELLCYCLE { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_CELLCYCLE module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -47,4 +47,3 @@ process SPOQC_CELLCYCLE { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/combine_masks/main.nf b/modules/local/spoQC/combine_masks/main.nf index d1ea1719..39ada6d7 100644 --- a/modules/local/spoQC/combine_masks/main.nf +++ b/modules/local/spoQC/combine_masks/main.nf @@ -4,7 +4,7 @@ process SPOQC_COMBINE_MASKS { label 'process_xl_mem' label 'process_low_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -56,4 +56,3 @@ process SPOQC_COMBINE_MASKS { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/doublet/main.nf b/modules/local/spoQC/doublet/main.nf index 426ba4cd..694f442d 100644 --- a/modules/local/spoQC/doublet/main.nf +++ b/modules/local/spoQC/doublet/main.nf @@ -5,7 +5,7 @@ process SPOQC_DOUBLET { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -27,7 +27,7 @@ process SPOQC_DOUBLET { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_DOUBLET module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' def annotation_arg = annotation ? "-a ${annotation}" : "" @@ -55,4 +55,3 @@ process SPOQC_DOUBLET { touch ./spoQC_tmp/doubletqc_output_hqcr.parquet """ } - \ No newline at end of file diff --git a/modules/local/spoQC/general/main.nf b/modules/local/spoQC/general/main.nf index 06e6a256..b8182bae 100644 --- a/modules/local/spoQC/general/main.nf +++ b/modules/local/spoQC/general/main.nf @@ -5,13 +5,13 @@ process SPOQC_GENERAL { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" input: tuple val(meta), path(spatialdata, stageAs: "*") - path(annotation, stageAs: "*") + path(annotation, stageAs: "*") val(step) output: @@ -56,4 +56,3 @@ process SPOQC_GENERAL { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqcr_celltype/main.nf b/modules/local/spoQC/hqcr_celltype/main.nf index 2d673028..c3d8eba9 100644 --- a/modules/local/spoQC/hqcr_celltype/main.nf +++ b/modules/local/spoQC/hqcr_celltype/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQCR_CELLTYPE { label 'process_high_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -32,7 +32,7 @@ process SPOQC_HQCR_CELLTYPE { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_HQCR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' def annotation_arg = annotation ? "-a ${annotation}" : "" @@ -61,4 +61,3 @@ process SPOQC_HQCR_CELLTYPE { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqcr_ident/main.nf b/modules/local/spoQC/hqcr_ident/main.nf index f17e3c4d..a7d6c05a 100644 --- a/modules/local/spoQC/hqcr_ident/main.nf +++ b/modules/local/spoQC/hqcr_ident/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQCR_IDENT { label 'process_high_mem' label 'process_low_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -32,7 +32,7 @@ process SPOQC_HQCR_IDENT { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_HQCR_IDENT module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -59,4 +59,3 @@ process SPOQC_HQCR_IDENT { touch ./spoQC_tmp/hqcr_output_mask_smoothed_raw.parquet """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_bounding_box/main.nf b/modules/local/spoQC/hqpr_bounding_box/main.nf index b3174e40..d51ef631 100644 --- a/modules/local/spoQC/hqpr_bounding_box/main.nf +++ b/modules/local/spoQC/hqpr_bounding_box/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQPR_BOUNDING_BOX { label 'process_high_mem' label 'process_low_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -52,4 +52,3 @@ process SPOQC_HQPR_BOUNDING_BOX { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_celltype/main.nf b/modules/local/spoQC/hqpr_celltype/main.nf index 44b48e63..9a411a25 100644 --- a/modules/local/spoQC/hqpr_celltype/main.nf +++ b/modules/local/spoQC/hqpr_celltype/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQPR_CELLTYPE { label 'process_high_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -32,7 +32,7 @@ process SPOQC_HQPR_CELLTYPE { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_HQPR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' def annotation_arg = annotation ? "-a ${annotation}" : "" @@ -60,4 +60,3 @@ process SPOQC_HQPR_CELLTYPE { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_clustering/main.nf b/modules/local/spoQC/hqpr_clustering/main.nf index ddd7dd44..d908d40e 100644 --- a/modules/local/spoQC/hqpr_clustering/main.nf +++ b/modules/local/spoQC/hqpr_clustering/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQPR_CLUSTERING { label 'process_xl_mem' label 'process_xl_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -27,7 +27,7 @@ process SPOQC_HQPR_CLUSTERING { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_HQPR_CLUSTERING module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -54,4 +54,3 @@ process SPOQC_HQPR_CLUSTERING { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_metrices/main.nf b/modules/local/spoQC/hqpr_metrices/main.nf index b8cc64f8..946a76f7 100644 --- a/modules/local/spoQC/hqpr_metrices/main.nf +++ b/modules/local/spoQC/hqpr_metrices/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQPR_METRICES { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -57,4 +57,3 @@ process SPOQC_HQPR_METRICES { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqpr_refinement/main.nf b/modules/local/spoQC/hqpr_refinement/main.nf index bf4e745a..6de856c5 100644 --- a/modules/local/spoQC/hqpr_refinement/main.nf +++ b/modules/local/spoQC/hqpr_refinement/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQPR_REFINEMENT { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -54,4 +54,3 @@ process SPOQC_HQPR_REFINEMENT { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_ac/main.nf b/modules/local/spoQC/hqtr_ac/main.nf index a86006d7..d47b067f 100644 --- a/modules/local/spoQC/hqtr_ac/main.nf +++ b/modules/local/spoQC/hqtr_ac/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQTR_AC { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -53,4 +53,3 @@ process SPOQC_HQTR_AC { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_bounding_box/main.nf b/modules/local/spoQC/hqtr_bounding_box/main.nf index 7723e350..1aea87e9 100644 --- a/modules/local/spoQC/hqtr_bounding_box/main.nf +++ b/modules/local/spoQC/hqtr_bounding_box/main.nf @@ -4,7 +4,7 @@ process SPOQC_HQTR_BOUNDING_BOX { label 'process_high_mem' label 'process_low_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -50,4 +50,3 @@ process SPOQC_HQTR_BOUNDING_BOX { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_celltype/main.nf b/modules/local/spoQC/hqtr_celltype/main.nf index 521afde9..6f19c0bb 100644 --- a/modules/local/spoQC/hqtr_celltype/main.nf +++ b/modules/local/spoQC/hqtr_celltype/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQTR_CELLTYPE { label 'process_high_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -33,7 +33,7 @@ process SPOQC_HQTR_CELLTYPE { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_HQTR_CELLTYPE module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' def annotation_arg = annotation ? "-a ${annotation}" : "" @@ -60,4 +60,3 @@ process SPOQC_HQTR_CELLTYPE { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_clustering/main.nf b/modules/local/spoQC/hqtr_clustering/main.nf index 801a0357..f4a51aa7 100644 --- a/modules/local/spoQC/hqtr_clustering/main.nf +++ b/modules/local/spoQC/hqtr_clustering/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQTR_CLUSTERING { label 'process_xl_mem' label 'process_xl_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -29,7 +29,7 @@ process SPOQC_HQTR_CLUSTERING { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_HQTR_CLUSTERING module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -55,4 +55,3 @@ process SPOQC_HQTR_CLUSTERING { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_metrices/main.nf b/modules/local/spoQC/hqtr_metrices/main.nf index 999f6d9b..6da705d4 100644 --- a/modules/local/spoQC/hqtr_metrices/main.nf +++ b/modules/local/spoQC/hqtr_metrices/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQTR_METRICES { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -51,4 +51,3 @@ process SPOQC_HQTR_METRICES { mkdir -p spoQC_tmp/metrices/hqtr """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_qv/main.nf b/modules/local/spoQC/hqtr_qv/main.nf index f604d620..bc783bb6 100644 --- a/modules/local/spoQC/hqtr_qv/main.nf +++ b/modules/local/spoQC/hqtr_qv/main.nf @@ -5,7 +5,7 @@ process SPOQC_HQTR_QV { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -52,4 +52,3 @@ process SPOQC_HQTR_QV { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/hqtr_refinement/main.nf b/modules/local/spoQC/hqtr_refinement/main.nf index ea579132..782eb60c 100644 --- a/modules/local/spoQC/hqtr_refinement/main.nf +++ b/modules/local/spoQC/hqtr_refinement/main.nf @@ -4,7 +4,7 @@ process SPOQC_HQTR_REFINEMENT { label 'process_xl_mem' label 'process_mid_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -52,4 +52,3 @@ process SPOQC_HQTR_REFINEMENT { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/marker/main.nf b/modules/local/spoQC/marker/main.nf index 5a7a7da1..69a8bdf8 100644 --- a/modules/local/spoQC/marker/main.nf +++ b/modules/local/spoQC/marker/main.nf @@ -4,7 +4,7 @@ process SPOQC_MARKER { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -25,7 +25,7 @@ process SPOQC_MARKER { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_MARKER module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' def annotation_arg = annotation ? "-a ${annotation}" : "" @@ -52,4 +52,3 @@ process SPOQC_MARKER { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/model/main.nf b/modules/local/spoQC/model/main.nf index 6cd30aec..c091a77a 100644 --- a/modules/local/spoQC/model/main.nf +++ b/modules/local/spoQC/model/main.nf @@ -4,7 +4,7 @@ process SPOQC_MODEL { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -24,7 +24,7 @@ process SPOQC_MODEL { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_MODEL module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -49,4 +49,3 @@ process SPOQC_MODEL { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/transcript/main.nf b/modules/local/spoQC/transcript/main.nf index be941f0b..11a4e3a0 100644 --- a/modules/local/spoQC/transcript/main.nf +++ b/modules/local/spoQC/transcript/main.nf @@ -5,7 +5,7 @@ process SPOQC_TRANSCRIPT { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -26,7 +26,7 @@ process SPOQC_TRANSCRIPT { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_TRANSCRIPT module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' def annotation_arg = annotation ? "-a ${annotation}" : "" @@ -53,4 +53,3 @@ process SPOQC_TRANSCRIPT { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/void/main.nf b/modules/local/spoQC/void/main.nf index 99b656e0..f9dda703 100644 --- a/modules/local/spoQC/void/main.nf +++ b/modules/local/spoQC/void/main.nf @@ -5,7 +5,7 @@ process SPOQC_VOID { label 'process_low_mem' label 'process_low_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -26,7 +26,7 @@ process SPOQC_VOID { if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) { error("SPOQC_VOID module does not support Conda. Please use Docker / Singularity / Podman instead.") } - + def args = task.ext.args ?: '' """ @@ -53,4 +53,3 @@ process SPOQC_VOID { """ } - \ No newline at end of file diff --git a/modules/local/spoQC/whole_slide/main.nf b/modules/local/spoQC/whole_slide/main.nf index 5498fac5..3bcf4c82 100644 --- a/modules/local/spoQC/whole_slide/main.nf +++ b/modules/local/spoQC/whole_slide/main.nf @@ -5,7 +5,7 @@ process SPOQC_WHOLE_SLIDE { label 'process_low_mem' label 'process_tiny_time' label 'spoqc' - + container "heylf/spoqc:0.0.1" @@ -50,4 +50,3 @@ process SPOQC_WHOLE_SLIDE { """ } - \ No newline at end of file diff --git a/subworkflows/local/spatialdata_write_meta_merge/main.nf b/subworkflows/local/spatialdata_write_meta_merge/main.nf index eafd156c..4b7b0180 100644 --- a/subworkflows/local/spatialdata_write_meta_merge/main.nf +++ b/subworkflows/local/spatialdata_write_meta_merge/main.nf @@ -59,7 +59,7 @@ workflow SPATIALDATA_WRITE_META_MERGE { ) if (mode != 'qc') { - + // write spatialdata object after running IMP_SEG SPATIALDATA_WRITE_REDEFINED_BUNDLE( ch_redefined_bundle, diff --git a/subworkflows/local/spoqc/main.nf b/subworkflows/local/spoqc/main.nf index ff65aef6..b75bba5b 100644 --- a/subworkflows/local/spoqc/main.nf +++ b/subworkflows/local/spoqc/main.nf @@ -148,13 +148,13 @@ workflow SPOQC { SPOQC_HQPR_REFINEMENT( ch_spatialdata_stainings, - "hqpr_refinement", + "hqpr_refinement", SPOQC_HQPR_CLUSTERING.out.mask, ) SPOQC_HQPR_BOUNDING_BOX( ch_spatialdata_stainings, - "hqpr_bounding_box", + "hqpr_bounding_box", SPOQC_HQPR_REFINEMENT.out.mask_smoothed, ) @@ -164,7 +164,7 @@ workflow SPOQC { // SPOQC_HQPR_CELLTYPE( // ch_spatialdata_stainings, // ch_annotation_stainings, - // "hqpr_celltype", + // "hqpr_celltype", // SPOQC_GENERAL.out.tmp.combine(ch_stainings), // SPOQC_BUBBLE.out.tmp.combine(ch_stainings), // SPOQC_DOUBLET.out.tmp.combine(ch_stainings), @@ -202,20 +202,20 @@ workflow SPOQC { SPOQC_HQTR_REFINEMENT( ch_sd_bundle, - "hqtr_refinement", + "hqtr_refinement", SPOQC_HQTR_CLUSTERING.out.mask, ) SPOQC_HQTR_BOUNDING_BOX( ch_sd_bundle, - "hqtr_bounding_box", + "hqtr_bounding_box", SPOQC_HQTR_REFINEMENT.out.mask_smoothed, ) // SPOQC_HQTR_CELLTYPE( // ch_sd_bundle, // ch_annotation_path, - // "hqtr_celltype", + // "hqtr_celltype", // SPOQC_GENERAL.out.tmp, // SPOQC_BUBBLE.out.tmp, // SPOQC_DOUBLET.out.tmp, diff --git a/workflows/spatialaxe.nf b/workflows/spatialaxe.nf index 95a3a8a9..77a2c2b5 100644 --- a/workflows/spatialaxe.nf +++ b/workflows/spatialaxe.nf @@ -161,7 +161,7 @@ workflow SPATIALAXE { return [meta, test_bundle, image, annotation, stainings] } .set { ch_input } - + } else { // get testdata @@ -388,7 +388,7 @@ workflow SPATIALAXE { // get annotation ch_annotation = ch_input.map { _meta, _bundle, _image, annotation, _stainings -> annotation - } + } /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ From 4a14fc1f431cbe0c0f86123eb4c2efaae618ad5c Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 16:28:12 +0200 Subject: [PATCH 37/41] end-of-file-fixer --- conf/test_full.config | 2 +- conf/tests/test_full_spoqc.config | 2 +- conf/tests/test_spoqc.config | 2 +- modules/local/spoQC/ambient/tests/nextflow.config | 2 +- modules/local/spoQC/analysis_category/tests/nextflow.config | 2 +- modules/local/spoQC/analysis_cluster/tests/nextflow.config | 2 +- modules/local/spoQC/analysis_overview/tests/nextflow.config | 2 +- modules/local/spoQC/annotation/tests/nextflow.config | 2 +- modules/local/spoQC/cell/tests/nextflow.config | 2 +- modules/local/spoQC/cellcycle/tests/nextflow.config | 2 +- modules/local/spoQC/doublet/tests/nextflow.config | 2 +- modules/local/spoQC/finalreport/tests/nextflow.config | 2 +- modules/local/spoQC/general/tests/nextflow.config | 2 +- modules/local/spoQC/hqcr_celltype/tests/nextflow.config | 2 +- modules/local/spoQC/hqcr_ident/tests/nextflow.config | 2 +- modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config | 2 +- modules/local/spoQC/hqpr_celltype/tests/nextflow.config | 2 +- modules/local/spoQC/hqpr_clustering/tests/nextflow.config | 2 +- modules/local/spoQC/hqpr_metrices/tests/nextflow.config | 2 +- modules/local/spoQC/hqpr_refinement/tests/nextflow.config | 2 +- modules/local/spoQC/hqtr_ac/tests/nextflow.config | 2 +- modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config | 2 +- modules/local/spoQC/hqtr_celltype/tests/nextflow.config | 2 +- modules/local/spoQC/hqtr_clustering/tests/nextflow.config | 2 +- modules/local/spoQC/hqtr_metrices/tests/nextflow.config | 2 +- modules/local/spoQC/hqtr_qv/tests/nextflow.config | 2 +- modules/local/spoQC/hqtr_refinement/tests/nextflow.config | 2 +- modules/local/spoQC/marker/tests/nextflow.config | 2 +- modules/local/spoQC/model/tests/nextflow.config | 2 +- modules/local/spoQC/transcript/tests/nextflow.config | 2 +- modules/local/spoQC/void/tests/nextflow.config | 2 +- modules/local/spoQC/whole_slide/tests/nextflow.config | 2 +- 32 files changed, 32 insertions(+), 32 deletions(-) diff --git a/conf/test_full.config b/conf/test_full.config index e7ef397b..300de3df 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -18,4 +18,4 @@ params { input = "${projectDir}/assets/samplesheet_full.csv" outdir = 'results' mode = 'coordinate' -} \ No newline at end of file +} diff --git a/conf/tests/test_full_spoqc.config b/conf/tests/test_full_spoqc.config index 9602d858..66998818 100644 --- a/conf/tests/test_full_spoqc.config +++ b/conf/tests/test_full_spoqc.config @@ -32,4 +32,4 @@ params { outdir = 'results' mode = 'qc' spoqc = true -} \ No newline at end of file +} diff --git a/conf/tests/test_spoqc.config b/conf/tests/test_spoqc.config index 60831157..b152c95c 100644 --- a/conf/tests/test_spoqc.config +++ b/conf/tests/test_spoqc.config @@ -32,4 +32,4 @@ params { outdir = 'results' mode = 'qc' spoqc = true -} \ No newline at end of file +} diff --git a/modules/local/spoQC/ambient/tests/nextflow.config b/modules/local/spoQC/ambient/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/ambient/tests/nextflow.config +++ b/modules/local/spoQC/ambient/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/analysis_category/tests/nextflow.config b/modules/local/spoQC/analysis_category/tests/nextflow.config index 5e0e4508..efcdc564 100644 --- a/modules/local/spoQC/analysis_category/tests/nextflow.config +++ b/modules/local/spoQC/analysis_category/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/analysis_cluster/tests/nextflow.config b/modules/local/spoQC/analysis_cluster/tests/nextflow.config index 5e0e4508..efcdc564 100644 --- a/modules/local/spoQC/analysis_cluster/tests/nextflow.config +++ b/modules/local/spoQC/analysis_cluster/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/analysis_overview/tests/nextflow.config b/modules/local/spoQC/analysis_overview/tests/nextflow.config index 5e0e4508..efcdc564 100644 --- a/modules/local/spoQC/analysis_overview/tests/nextflow.config +++ b/modules/local/spoQC/analysis_overview/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/annotation/tests/nextflow.config b/modules/local/spoQC/annotation/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/annotation/tests/nextflow.config +++ b/modules/local/spoQC/annotation/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/cell/tests/nextflow.config b/modules/local/spoQC/cell/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/cell/tests/nextflow.config +++ b/modules/local/spoQC/cell/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/cellcycle/tests/nextflow.config b/modules/local/spoQC/cellcycle/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/cellcycle/tests/nextflow.config +++ b/modules/local/spoQC/cellcycle/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/doublet/tests/nextflow.config b/modules/local/spoQC/doublet/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/doublet/tests/nextflow.config +++ b/modules/local/spoQC/doublet/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/finalreport/tests/nextflow.config b/modules/local/spoQC/finalreport/tests/nextflow.config index 5e0e4508..efcdc564 100644 --- a/modules/local/spoQC/finalreport/tests/nextflow.config +++ b/modules/local/spoQC/finalreport/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/general/tests/nextflow.config b/modules/local/spoQC/general/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/general/tests/nextflow.config +++ b/modules/local/spoQC/general/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqcr_celltype/tests/nextflow.config b/modules/local/spoQC/hqcr_celltype/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqcr_celltype/tests/nextflow.config +++ b/modules/local/spoQC/hqcr_celltype/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqcr_ident/tests/nextflow.config b/modules/local/spoQC/hqcr_ident/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqcr_ident/tests/nextflow.config +++ b/modules/local/spoQC/hqcr_ident/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config b/modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config +++ b/modules/local/spoQC/hqpr_bounding_box/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqpr_celltype/tests/nextflow.config b/modules/local/spoQC/hqpr_celltype/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqpr_celltype/tests/nextflow.config +++ b/modules/local/spoQC/hqpr_celltype/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqpr_clustering/tests/nextflow.config b/modules/local/spoQC/hqpr_clustering/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqpr_clustering/tests/nextflow.config +++ b/modules/local/spoQC/hqpr_clustering/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqpr_metrices/tests/nextflow.config b/modules/local/spoQC/hqpr_metrices/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqpr_metrices/tests/nextflow.config +++ b/modules/local/spoQC/hqpr_metrices/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqpr_refinement/tests/nextflow.config b/modules/local/spoQC/hqpr_refinement/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqpr_refinement/tests/nextflow.config +++ b/modules/local/spoQC/hqpr_refinement/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqtr_ac/tests/nextflow.config b/modules/local/spoQC/hqtr_ac/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqtr_ac/tests/nextflow.config +++ b/modules/local/spoQC/hqtr_ac/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config b/modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config +++ b/modules/local/spoQC/hqtr_bounding_box/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqtr_celltype/tests/nextflow.config b/modules/local/spoQC/hqtr_celltype/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqtr_celltype/tests/nextflow.config +++ b/modules/local/spoQC/hqtr_celltype/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqtr_clustering/tests/nextflow.config b/modules/local/spoQC/hqtr_clustering/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqtr_clustering/tests/nextflow.config +++ b/modules/local/spoQC/hqtr_clustering/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqtr_metrices/tests/nextflow.config b/modules/local/spoQC/hqtr_metrices/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqtr_metrices/tests/nextflow.config +++ b/modules/local/spoQC/hqtr_metrices/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqtr_qv/tests/nextflow.config b/modules/local/spoQC/hqtr_qv/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqtr_qv/tests/nextflow.config +++ b/modules/local/spoQC/hqtr_qv/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/hqtr_refinement/tests/nextflow.config b/modules/local/spoQC/hqtr_refinement/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/hqtr_refinement/tests/nextflow.config +++ b/modules/local/spoQC/hqtr_refinement/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/marker/tests/nextflow.config b/modules/local/spoQC/marker/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/marker/tests/nextflow.config +++ b/modules/local/spoQC/marker/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/model/tests/nextflow.config b/modules/local/spoQC/model/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/model/tests/nextflow.config +++ b/modules/local/spoQC/model/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/transcript/tests/nextflow.config b/modules/local/spoQC/transcript/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/transcript/tests/nextflow.config +++ b/modules/local/spoQC/transcript/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/void/tests/nextflow.config b/modules/local/spoQC/void/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/void/tests/nextflow.config +++ b/modules/local/spoQC/void/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/whole_slide/tests/nextflow.config b/modules/local/spoQC/whole_slide/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/whole_slide/tests/nextflow.config +++ b/modules/local/spoQC/whole_slide/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} From 53312b97387db15eac9842ca441f195e63126090 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 16:32:41 +0200 Subject: [PATCH 38/41] end-of-file-fixer --- modules/local/spoQC/bubble/tests/nextflow.config | 2 +- modules/local/spoQC/combine_masks/tests/nextflow.config | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/modules/local/spoQC/bubble/tests/nextflow.config b/modules/local/spoQC/bubble/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/bubble/tests/nextflow.config +++ b/modules/local/spoQC/bubble/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} diff --git a/modules/local/spoQC/combine_masks/tests/nextflow.config b/modules/local/spoQC/combine_masks/tests/nextflow.config index 32ea1afe..0bfa1aba 100644 --- a/modules/local/spoQC/combine_masks/tests/nextflow.config +++ b/modules/local/spoQC/combine_masks/tests/nextflow.config @@ -6,4 +6,4 @@ process { time: '2.h', ] -} \ No newline at end of file +} From 8a131f5a27d52294f6f041693b71b8a59d354e4f Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 16:49:48 +0200 Subject: [PATCH 39/41] update nextflow version --- .github/workflows/nf-test.yml | 2 +- nextflow.config | 2 +- ro-crate-metadata.json | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.github/workflows/nf-test.yml b/.github/workflows/nf-test.yml index 5dc5a547..8abe0187 100644 --- a/.github/workflows/nf-test.yml +++ b/.github/workflows/nf-test.yml @@ -81,7 +81,7 @@ jobs: - isMain: true profile: "conda" NXF_VER: - - "25.04.0" + - "26.04.6" - "latest-everything" env: NXF_ANSI_LOG: false diff --git a/nextflow.config b/nextflow.config index 6851218c..66d98351 100644 --- a/nextflow.config +++ b/nextflow.config @@ -385,7 +385,7 @@ manifest { description = """A pipeline for spatialomics 10x Xenium In Situ data.""" mainScript = 'main.nf' defaultBranch = 'master' - nextflowVersion = '!>=25.04.0' + nextflowVersion = '!>=26.04.6' version = '1.0.1dev' doi = '' } diff --git a/ro-crate-metadata.json b/ro-crate-metadata.json index 787ce418..03eac954 100644 --- a/ro-crate-metadata.json +++ b/ro-crate-metadata.json @@ -198,7 +198,7 @@ "url": { "@id": "https://www.nextflow.io/" }, - "version": "!>=25.04.0" + "version": "!>=26.04.6" }, { "@id": "#ae53c394-e66c-4071-90b6-f65fa2ca9cde", From 246d2cd3037d46e86504ddad8570916c89e1dc60 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 16:54:05 +0200 Subject: [PATCH 40/41] update nextflow version --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index d0d3e0e9..ceb80ef3 100644 --- a/README.md +++ b/README.md @@ -10,7 +10,7 @@ [![GitHub Actions Linting Status](https://github.com/nf-core/spatialaxe/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/spatialaxe/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/spatialaxe/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.20733817-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.20733817) [![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com) -[![Nextflow](https://img.shields.io/badge/version-%E2%89%A525.04.0-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/) +[![Nextflow](https://img.shields.io/badge/version-%E2%89%A526.04.6-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/) [![nf-core template version](https://img.shields.io/badge/nf--core_template-3.4.1-green?style=flat&logo=nfcore&logoColor=white&color=%2324B064&link=https%3A%2F%2Fnf-co.re)](https://github.com/nf-core/tools/releases/tag/3.4.1) [![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/) [![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/) From 14a6a102ee1b6acb7c1c5ff6b80cb006ccf47502 Mon Sep 17 00:00:00 2001 From: f641l Date: Fri, 7 Aug 2026 18:02:29 +0200 Subject: [PATCH 41/41] upating snapshots --- tests/coordinate_mode.nf.test.snap | 279 +- tests/default.nf.test.snap | 31 +- tests/image_mode.nf.test.snap | 4 +- tests/preview_mode.nf.test.snap | 4 +- tests/segfree_mode.nf.test.snap | 4 +- tests/spoqc.nf.test.snap | 26949 +-------------------------- 6 files changed, 741 insertions(+), 26530 deletions(-) diff --git a/tests/coordinate_mode.nf.test.snap b/tests/coordinate_mode.nf.test.snap index 22434439..628f4439 100644 --- a/tests/coordinate_mode.nf.test.snap +++ b/tests/coordinate_mode.nf.test.snap @@ -24,7 +24,7 @@ "untar": 1.34 }, "Workflow": { - "nf-core/spatialaxe": "v1.0.1" + "nf-core/spatialaxe": "v1.0.1dev" }, "XENIUMRANGER_IMPORTSEGMENTATION": { "xeniumranger": "4.0.1.1" @@ -109,6 +109,64 @@ "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/images/morphology_focus/4/zarr.json", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/images/morphology_focus/zarr.json", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/images/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/0/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/0/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/0/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/0/c/0/1", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/0/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/1", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/1/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/1/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/1/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/1/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/2", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/2/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/2/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/2/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/2/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/3", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/3/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/3/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/3/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/3/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/4", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/4/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/4/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/4/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/4/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/cell_labels/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/0/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/0/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/0/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/0/c/0/1", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/0/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/1", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/1/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/1/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/1/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/1/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/2", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/2/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/2/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/2/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/2/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/3", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/3/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/3/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/3/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/3/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/4", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/4/c", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/4/c/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/4/c/0/0", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/4/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/nucleus_labels/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/labels/zarr.json", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/points", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/points/raw_transcripts", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/points/raw_transcripts/points.parquet", @@ -119,6 +177,12 @@ "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_cell_boundaries", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_cell_boundaries/shapes.parquet", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_cell_boundaries/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_cell_circles", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_cell_circles/shapes.parquet", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_cell_circles/zarr.json", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_nucleus_boundaries", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_nucleus_boundaries/shapes.parquet", + "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/raw_nucleus_boundaries/zarr.json", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/shapes/zarr.json", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/tables", "coordinate/spatialdata/merge/spatialdata/test_run/merged_bundle/zarr.json", @@ -161,6 +225,64 @@ "coordinate/spatialdata/meta/spatialdata/test_run/metadata/images/morphology_focus/4/zarr.json", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/images/morphology_focus/zarr.json", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/images/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/0/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/0/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/0/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/0/c/0/1", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/0/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/1", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/1/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/1/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/1/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/1/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/2", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/2/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/2/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/2/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/2/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/3", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/3/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/3/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/3/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/3/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/4", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/4/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/4/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/4/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/4/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/cell_labels/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/0/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/0/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/0/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/0/c/0/1", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/0/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/1", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/1/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/1/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/1/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/1/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/2", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/2/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/2/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/2/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/2/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/3", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/3/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/3/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/3/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/3/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/4", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/4/c", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/4/c/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/4/c/0/0", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/4/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/nucleus_labels/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/labels/zarr.json", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/points", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/points/raw_transcripts", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/points/raw_transcripts/points.parquet", @@ -171,6 +293,12 @@ "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_cell_boundaries", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_cell_boundaries/shapes.parquet", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_cell_boundaries/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_cell_circles", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_cell_circles/shapes.parquet", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_cell_circles/zarr.json", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_nucleus_boundaries", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_nucleus_boundaries/shapes.parquet", + "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/raw_nucleus_boundaries/zarr.json", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/shapes/zarr.json", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/tables", "coordinate/spatialdata/meta/spatialdata/test_run/metadata/zarr.json", @@ -213,6 +341,64 @@ "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/images/morphology_focus/4/zarr.json", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/images/morphology_focus/zarr.json", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/images/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/0/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/0/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/0/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/0/c/0/1", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/0/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/1", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/1/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/1/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/1/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/1/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/2", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/2/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/2/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/2/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/2/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/3", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/3/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/3/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/3/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/3/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/4", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/4/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/4/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/4/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/4/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/cell_labels/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/0/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/0/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/0/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/0/c/0/1", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/0/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/1", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/1/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/1/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/1/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/1/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/2", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/2/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/2/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/2/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/2/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/3", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/3/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/3/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/3/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/3/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/4", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/4/c", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/4/c/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/4/c/0/0", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/4/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/nucleus_labels/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/labels/zarr.json", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/points", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/points/transcripts", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/points/transcripts/points.parquet", @@ -223,6 +409,12 @@ "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/cell_boundaries", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/cell_boundaries/shapes.parquet", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/cell_boundaries/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/cell_circles", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/cell_circles/shapes.parquet", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/cell_circles/zarr.json", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/nucleus_boundaries", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/nucleus_boundaries/shapes.parquet", + "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/nucleus_boundaries/zarr.json", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/shapes/zarr.json", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/tables", "coordinate/spatialdata/write/spatialdata/test_run/raw_bundle/zarr.json", @@ -285,14 +477,14 @@ [ "multiqc_citations.txt:md5,4c806e63a283ec1b7e78cdae3a923d4f", "multiqc_general_stats.txt:md5,e38eaaa52226a0d985578208b3261585", - "multiqc_software_versions.txt:md5,4c66c24e7c7ec9133e99bf68a3ab05f9", + "multiqc_software_versions.txt:md5,6b25b317ed5e9bda0d2c9ff6fe85eafb", "multiqc_xenium.txt:md5,f52e6ac3376565f7975e4e9fc23ed52a", "xenium_fov_quality_ranges.txt:md5,153e0a905781d0b1b2f01b5ea6e384a8", "xenium_segmentation.txt:md5,abd99ee57c53568a7f915bd10d2ee5af", "xenium_transcript_quality_per_sample_table.txt:md5,d0135a0006f4ad3631b9f3906cc7ee0b", "xenium_transcripts_per_gene.txt:md5,b46b3c414bc660e03e3df0345dd5e3e2", "multiqc_citations.txt:md5,4c806e63a283ec1b7e78cdae3a923d4f", - "multiqc_software_versions.txt:md5,4c66c24e7c7ec9133e99bf68a3ab05f9", + "multiqc_software_versions.txt:md5,6b25b317ed5e9bda0d2c9ff6fe85eafb", "0:md5,397dc21e479c58fd2ffcbe6c3e627683", "1:md5,f1a6b9238c3095bad7867b22f293e5e6", "zarr.json:md5,893b4d8873fc997d364288c63ef0871f", @@ -305,6 +497,31 @@ "0:md5,4890e52e8f0efc8f560bc51199d5071c", "zarr.json:md5,1f4482a1e3b6e9ab30623b0ad12f5213", "zarr.json:md5,b98263d3964a5236145ccf6c808f8919", + "0:md5,9fbd82d28a84dddd52df1b055c00d9b0", + "1:md5,3519dd1d29e589a2f0e87c2e0a20586b", + "zarr.json:md5,5ad6b55efbf7ea079dc73f60af2a12cb", + "0:md5,500e366b93160eaf9cf5ee5dcd8fdd18", + "zarr.json:md5,cf8da18bcd5b9661012f3b120d64d5d9", + "0:md5,264bcf6f0679d8cab53930b5182aa2ac", + "zarr.json:md5,a03571ade1e696e2e855ed06331acd09", + "0:md5,c416a29978b65ccec08ad8e0d3e1dcf8", + "zarr.json:md5,be459dc60bef9886df3f9e6895430f6b", + "0:md5,072da7c64c1dbe21a4d71c560431b96e", + "zarr.json:md5,73b113cb0e0dd3c688b7221003ce7062", + "zarr.json:md5,cb8cd70a8b5142c2bdcc65261f52013e", + "0:md5,adbe51c450a9a6c9086df9ebe220eefb", + "1:md5,7bb4eecf9fe3996a9b118082152a8750", + "zarr.json:md5,5ad6b55efbf7ea079dc73f60af2a12cb", + "0:md5,498463ef4033f523f8174237454f5dc7", + "zarr.json:md5,cf8da18bcd5b9661012f3b120d64d5d9", + "0:md5,a73b0d9b8919bb729c6eee8cf6632cd8", + "zarr.json:md5,a03571ade1e696e2e855ed06331acd09", + "0:md5,9efe1a6b6f8d3548f3ebdeab07e2e8b3", + "zarr.json:md5,be459dc60bef9886df3f9e6895430f6b", + "0:md5,4cd5ff674991828d1536bf85d47bcb0a", + "zarr.json:md5,73b113cb0e0dd3c688b7221003ce7062", + "zarr.json:md5,83ce0ad0ef9fc5f27b0c737f7bc2c88f", + "zarr.json:md5,0fc99ee9a39262fbd42f104d79a9edd8", "0:md5,397dc21e479c58fd2ffcbe6c3e627683", "1:md5,f1a6b9238c3095bad7867b22f293e5e6", "zarr.json:md5,893b4d8873fc997d364288c63ef0871f", @@ -317,6 +534,31 @@ "0:md5,4890e52e8f0efc8f560bc51199d5071c", "zarr.json:md5,1f4482a1e3b6e9ab30623b0ad12f5213", "zarr.json:md5,b98263d3964a5236145ccf6c808f8919", + "0:md5,9fbd82d28a84dddd52df1b055c00d9b0", + "1:md5,3519dd1d29e589a2f0e87c2e0a20586b", + "zarr.json:md5,5ad6b55efbf7ea079dc73f60af2a12cb", + "0:md5,500e366b93160eaf9cf5ee5dcd8fdd18", + "zarr.json:md5,cf8da18bcd5b9661012f3b120d64d5d9", + "0:md5,264bcf6f0679d8cab53930b5182aa2ac", + "zarr.json:md5,a03571ade1e696e2e855ed06331acd09", + "0:md5,c416a29978b65ccec08ad8e0d3e1dcf8", + "zarr.json:md5,be459dc60bef9886df3f9e6895430f6b", + "0:md5,072da7c64c1dbe21a4d71c560431b96e", + "zarr.json:md5,73b113cb0e0dd3c688b7221003ce7062", + "zarr.json:md5,cb8cd70a8b5142c2bdcc65261f52013e", + "0:md5,adbe51c450a9a6c9086df9ebe220eefb", + "1:md5,7bb4eecf9fe3996a9b118082152a8750", + "zarr.json:md5,5ad6b55efbf7ea079dc73f60af2a12cb", + "0:md5,498463ef4033f523f8174237454f5dc7", + "zarr.json:md5,cf8da18bcd5b9661012f3b120d64d5d9", + "0:md5,a73b0d9b8919bb729c6eee8cf6632cd8", + "zarr.json:md5,a03571ade1e696e2e855ed06331acd09", + "0:md5,9efe1a6b6f8d3548f3ebdeab07e2e8b3", + "zarr.json:md5,be459dc60bef9886df3f9e6895430f6b", + "0:md5,4cd5ff674991828d1536bf85d47bcb0a", + "zarr.json:md5,73b113cb0e0dd3c688b7221003ce7062", + "zarr.json:md5,83ce0ad0ef9fc5f27b0c737f7bc2c88f", + "zarr.json:md5,0fc99ee9a39262fbd42f104d79a9edd8", "0:md5,397dc21e479c58fd2ffcbe6c3e627683", "1:md5,f1a6b9238c3095bad7867b22f293e5e6", "zarr.json:md5,893b4d8873fc997d364288c63ef0871f", @@ -329,6 +571,31 @@ "0:md5,4890e52e8f0efc8f560bc51199d5071c", "zarr.json:md5,1f4482a1e3b6e9ab30623b0ad12f5213", "zarr.json:md5,b98263d3964a5236145ccf6c808f8919", + "0:md5,9fbd82d28a84dddd52df1b055c00d9b0", + "1:md5,3519dd1d29e589a2f0e87c2e0a20586b", + "zarr.json:md5,5ad6b55efbf7ea079dc73f60af2a12cb", + "0:md5,500e366b93160eaf9cf5ee5dcd8fdd18", + "zarr.json:md5,cf8da18bcd5b9661012f3b120d64d5d9", + "0:md5,264bcf6f0679d8cab53930b5182aa2ac", + "zarr.json:md5,a03571ade1e696e2e855ed06331acd09", + "0:md5,c416a29978b65ccec08ad8e0d3e1dcf8", + "zarr.json:md5,be459dc60bef9886df3f9e6895430f6b", + "0:md5,072da7c64c1dbe21a4d71c560431b96e", + "zarr.json:md5,73b113cb0e0dd3c688b7221003ce7062", + "zarr.json:md5,cb8cd70a8b5142c2bdcc65261f52013e", + "0:md5,adbe51c450a9a6c9086df9ebe220eefb", + "1:md5,7bb4eecf9fe3996a9b118082152a8750", + "zarr.json:md5,5ad6b55efbf7ea079dc73f60af2a12cb", + "0:md5,498463ef4033f523f8174237454f5dc7", + "zarr.json:md5,cf8da18bcd5b9661012f3b120d64d5d9", + "0:md5,a73b0d9b8919bb729c6eee8cf6632cd8", + "zarr.json:md5,a03571ade1e696e2e855ed06331acd09", + "0:md5,9efe1a6b6f8d3548f3ebdeab07e2e8b3", + "zarr.json:md5,be459dc60bef9886df3f9e6895430f6b", + "0:md5,4cd5ff674991828d1536bf85d47bcb0a", + "zarr.json:md5,73b113cb0e0dd3c688b7221003ce7062", + "zarr.json:md5,83ce0ad0ef9fc5f27b0c737f7bc2c88f", + "zarr.json:md5,0fc99ee9a39262fbd42f104d79a9edd8", "0:md5,397dc21e479c58fd2ffcbe6c3e627683", "1:md5,f1a6b9238c3095bad7867b22f293e5e6", "zarr.json:md5,893b4d8873fc997d364288c63ef0871f", @@ -343,7 +610,7 @@ "zarr.json:md5,b98263d3964a5236145ccf6c808f8919" ] ], - "timestamp": "2026-08-04T14:29:47.103357166", + "timestamp": "2026-08-07T17:06:03.98293334", "meta": { "nf-test": "0.9.5", "nextflow": "26.04.6" @@ -374,7 +641,7 @@ "untar": 1.34 }, "Workflow": { - "nf-core/spatialaxe": "v1.0.1" + "nf-core/spatialaxe": "v1.0.1dev" }, "XENIUMRANGER_IMPORTSEGMENTATION": { "xeniumranger": "4.0.1.1" @@ -467,7 +734,7 @@ "fake_file.txt:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], - "timestamp": "2026-08-04T14:30:03.467198601", + "timestamp": "2026-08-07T17:06:22.496109056", "meta": { "nf-test": "0.9.5", "nextflow": "26.04.6" diff --git a/tests/default.nf.test.snap b/tests/default.nf.test.snap index 840d3c89..adee3eca 100644 --- a/tests/default.nf.test.snap +++ b/tests/default.nf.test.snap @@ -24,7 +24,7 @@ "untar": 1.34 }, "Workflow": { - "nf-core/spatialaxe": "v1.0.1" + "nf-core/spatialaxe": "v1.0.1dev" }, "XENIUMRANGER_IMPORTSEGMENTATION": { "xeniumranger": "4.0.1.1" @@ -111,38 +111,13 @@ ".stub:md5,d41d8cd98f00b204e9800998ecf8427e", ".stub:md5,d41d8cd98f00b204e9800998ecf8427e", "multiqc_report.html:md5,d41d8cd98f00b204e9800998ecf8427e", - "cell-polygons.geojson:md5,d41d8cd98f00b204e9800998ecf8427e", - "transcript-metadata.csv:md5,d41d8cd98f00b204e9800998ecf8427e", "fake_file.txt:md5,d41d8cd98f00b204e9800998ecf8427e", "fake_file.txt:md5,d41d8cd98f00b204e9800998ecf8427e", "fake_file.txt:md5,d41d8cd98f00b204e9800998ecf8427e", - "fake_file.txt:md5,d41d8cd98f00b204e9800998ecf8427e", - ".end-of-run:md5,d41d8cd98f00b204e9800998ecf8427e", - "analysis.tar.gz:md5,d41d8cd98f00b204e9800998ecf8427e", - "analysis.zarr.zip:md5,d41d8cd98f00b204e9800998ecf8427e", - "analysis_summary.html:md5,d41d8cd98f00b204e9800998ecf8427e", - "aux_outputs.tar.gz:md5,d41d8cd98f00b204e9800998ecf8427e", - "cell_boundaries.csv.gz:md5,d41d8cd98f00b204e9800998ecf8427e", - "cell_boundaries.parquet:md5,d41d8cd98f00b204e9800998ecf8427e", - "cell_feature_matrix.h5:md5,d41d8cd98f00b204e9800998ecf8427e", - "cell_feature_matrix.tar.gz:md5,d41d8cd98f00b204e9800998ecf8427e", - "cell_feature_matrix.zarr.zip:md5,d41d8cd98f00b204e9800998ecf8427e", - "cells.csv.gz:md5,d41d8cd98f00b204e9800998ecf8427e", - "cells.parquet:md5,d41d8cd98f00b204e9800998ecf8427e", - "cells.zarr.zip:md5,d41d8cd98f00b204e9800998ecf8427e", - "experiment.xenium:md5,d41d8cd98f00b204e9800998ecf8427e", - "gene_panel.json:md5,d41d8cd98f00b204e9800998ecf8427e", - "metrics_summary.csv:md5,d41d8cd98f00b204e9800998ecf8427e", - "morphology.ome.tif:md5,d41d8cd98f00b204e9800998ecf8427e", - "morphology_focus_0000.ome.tif:md5,d41d8cd98f00b204e9800998ecf8427e", - "nucleus_boundaries.csv.gz:md5,d41d8cd98f00b204e9800998ecf8427e", - "nucleus_boundaries.parquet:md5,d41d8cd98f00b204e9800998ecf8427e", - "transcripts.parquet:md5,d41d8cd98f00b204e9800998ecf8427e", - "transcripts.zarr.zip:md5,d41d8cd98f00b204e9800998ecf8427e", - "experiment.xenium:md5,d41d8cd98f00b204e9800998ecf8427e" + "fake_file.txt:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], - "timestamp": "2026-07-28T12:20:41.663589777", + "timestamp": "2026-08-07T17:01:16.476317223", "meta": { "nf-test": "0.9.5", "nextflow": "26.04.6" diff --git a/tests/image_mode.nf.test.snap b/tests/image_mode.nf.test.snap index 129ba64b..6df2cf6d 100644 --- a/tests/image_mode.nf.test.snap +++ b/tests/image_mode.nf.test.snap @@ -30,7 +30,7 @@ "untar": 1.34 }, "Workflow": { - "nf-core/spatialaxe": "v1.0.1" + "nf-core/spatialaxe": "v1.0.1dev" }, "XENIUMRANGER_IMPORTSEGMENTATION": { "xeniumranger": "4.0.1.1" @@ -155,7 +155,7 @@ "resized_morphology_focus_0000.ome_cp_masks.tif.tif:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], - "timestamp": "2026-08-04T14:37:29.360791601", + "timestamp": "2026-08-07T17:07:07.950261954", "meta": { "nf-test": "0.9.5", "nextflow": "26.04.6" diff --git a/tests/preview_mode.nf.test.snap b/tests/preview_mode.nf.test.snap index cc286151..3282ecee 100644 --- a/tests/preview_mode.nf.test.snap +++ b/tests/preview_mode.nf.test.snap @@ -18,7 +18,7 @@ "untar": 1.34 }, "Workflow": { - "nf-core/spatialaxe": "v1.0.1" + "nf-core/spatialaxe": "v1.0.1dev" } }, [ @@ -111,7 +111,7 @@ "umap_mqc.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], - "timestamp": "2026-07-23T15:57:29.316600844", + "timestamp": "2026-08-07T17:07:37.796900605", "meta": { "nf-test": "0.9.5", "nextflow": "26.04.6" diff --git a/tests/segfree_mode.nf.test.snap b/tests/segfree_mode.nf.test.snap index 90a83476..22848328 100644 --- a/tests/segfree_mode.nf.test.snap +++ b/tests/segfree_mode.nf.test.snap @@ -12,7 +12,7 @@ "untar": 1.34 }, "Workflow": { - "nf-core/spatialaxe": "v1.0.1" + "nf-core/spatialaxe": "v1.0.1dev" } }, [ @@ -88,7 +88,7 @@ "transcripts.zarr.zip:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], - "timestamp": "2026-07-23T15:57:58.134363385", + "timestamp": "2026-08-07T17:08:08.760478641", "meta": { "nf-test": "0.9.5", "nextflow": "26.04.6" diff --git a/tests/spoqc.nf.test.snap b/tests/spoqc.nf.test.snap index 09e0ccd1..5079fcfa 100644 --- a/tests/spoqc.nf.test.snap +++ b/tests/spoqc.nf.test.snap @@ -222,6 +222,15 @@ "SPOQC_AMBIENT": { "spoqc": "0.1.0" }, + "SPOQC_ANALYSIS_CATEGORY": { + "spoqc": "0.1.0" + }, + "SPOQC_ANALYSIS_CLUSTER": { + "spoqc": "0.1.0" + }, + "SPOQC_ANALYSIS_OVERVIEW": { + "spoqc": "0.1.0" + }, "SPOQC_ANNOTATION": { "spoqc": "0.1.0" }, @@ -240,6 +249,9 @@ "SPOQC_DOUBLET": { "spoqc": "0.1.0" }, + "SPOQC_FINALREPORT": { + "spoqc": "0.1.0" + }, "SPOQC_GENERAL": { "spoqc": "0.1.0" }, @@ -295,257 +307,277 @@ "untar": 1.34 }, "Workflow": { - "nf-core/spatialaxe": "v1.1.0dev" + "nf-core/spatialaxe": "v1.0.1dev" } }, [ "pipeline_info", "pipeline_info/nf_core_spatialaxe_software_mqc_versions.yml", "qc", + "qc/multiqc", + "qc/multiqc/multiqc_data", + "qc/multiqc/multiqc_data/llms-full.txt", + "qc/multiqc/multiqc_data/multiqc.log", + "qc/multiqc/multiqc_data/multiqc.parquet", + "qc/multiqc/multiqc_data/multiqc_citations.txt", + "qc/multiqc/multiqc_data/multiqc_data.json", + "qc/multiqc/multiqc_data/multiqc_general_stats.txt", + "qc/multiqc/multiqc_data/multiqc_software_versions.txt", + "qc/multiqc/multiqc_data/multiqc_sources.txt", + "qc/multiqc/multiqc_data/multiqc_xenium.txt", + "qc/multiqc/multiqc_data/xenium_fov_quality_ranges.txt", + "qc/multiqc/multiqc_data/xenium_segmentation.txt", + "qc/multiqc/multiqc_data/xenium_transcript_quality_per_sample_table.txt", + "qc/multiqc/multiqc_data/xenium_transcripts_per_gene.txt", + "qc/multiqc/multiqc_plots", + "qc/multiqc/multiqc_plots/pdf", + "qc/multiqc/multiqc_plots/png", + "qc/multiqc/multiqc_plots/svg", + "qc/multiqc/multiqc_report.html", "qc/spatialdata", "qc/spatialdata/write", "qc/spatialdata/write/spatialdata", "qc/spatialdata/write/spatialdata/test_run", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/0/c", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/0/c/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/0/c/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/0/c/0/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/0/c/0/0/1", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/0/zarr.json", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/1", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/1/c", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/1/c/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/1/c/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/1/c/0/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/1/zarr.json", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/2", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/2/c", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/2/c/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/2/c/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/2/c/0/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/2/zarr.json", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/3", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/3/c", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/3/c/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/3/c/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/3/c/0/0/0", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/3/zarr.json", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/4", - "qc/spatialdata/write/spatialdata/test_run/spatialdata_raw/images/morphology_focus/4/c", - 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