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| # Contributing | ||
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| Contributions to the PEtab SciML test suite are welcome. Please either: | ||
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| - (Preferred) open a | ||
| [pull request](https://github.com/sebapersson/petab_sciml_testsuite/pulls) (drafts | ||
| welcome) adding one or more test cases. | ||
| - Or open an [issue](https://github.com/sebapersson/petab_sciml_testsuite/issues) describing | ||
| the missing coverage. | ||
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| ## Adding a new test case | ||
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| To add a new test case, create a subdirectory in the relevant suite under `test_cases/`, | ||
| named with the next three-digit ID (e.g., `003`). Include a short README describing what the | ||
| test covers. Most test files should be generated automatically using utility functions from | ||
| this repository’s associated Julia library. We use Julia for its strong SciML ecosystem and | ||
| mature tooling for computing reference gradients (high-order finite-difference methods). To | ||
| install this Julia library, with Julia ≥1.10, from the root directory of repository start | ||
| Julia and run: | ||
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| ```julia | ||
| import Pkg; Pkg.instantiate() | ||
| ``` | ||
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| Which files to add depends on the test type. | ||
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| For **ML model import tests**, provide both `net.jl` and `net.py` script. The `net.jl` | ||
| script should generate the test inputs, ML parameters, expected outputs, and | ||
| `solutions.yaml`. The `net.py` script should create the PEtab SciML ML-model YAML file and | ||
| checks consistency with the ML model used to produce the Julia reference outputs. This | ||
| ensures the case is importable in both Python (e.g., PyTorch/Equinox) and Julia, aligning | ||
| with the goal that the PEtab SciML YAML is exchangeable across ecosystems. An example can be | ||
| found | ||
| [here](https://github.com/sebapersson/petab_sciml_testsuite/tree/main/test_cases/net_import/001). | ||
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| For **PEtab SciML import problem tests**, provide a `create.jl` script. It should generate | ||
| the PEtab problem files and the reference values. For the PEtab problem files, the mapping | ||
| and hybridisation PEtab tables must be provided manually, the other components can be | ||
| selected from predefined assets (`assets/` for SBML models, ML-model YAMLs, ML parameters, | ||
| and array inputs) and defaults in `src/` (new values can be added if needed). For the | ||
| reference values, include an `llh_id` that maps to a likelihood implementation in | ||
| `src/test_values/nllh/`. Because these SciML problems are not analytically solvable, the | ||
| likelihood must be implemented explicitly. An example can be found | ||
| [here](https://github.com/sebapersson/petab_sciml_testsuite/tree/main/test_cases/hybrid/001). | ||
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| **Initialization tests** are specified similarly to PEtab SciML import problem. |
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| MIT License | ||
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| Copyright (c) 2026, PEtab - an SBML and TSV-based data format for parameter estimation | ||
| problems in systems biology | ||
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| Permission is hereby granted, free of charge, to any person obtaining a copy of this | ||
| software and associated documentation files (the "Software"), to deal in the Software | ||
| without restriction, including without limitation the rights to use, copy, modify, merge, | ||
| publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons | ||
| to whom the Software is furnished to do so, subject to the following conditions: | ||
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| The above copyright notice and this permission notice shall be included in all copies or | ||
| substantial portions of the Software. | ||
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| THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, | ||
| INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR | ||
| PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE | ||
| FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR | ||
| OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER | ||
| DEALINGS IN THE SOFTWARE. | ||
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TODO
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TODO?
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Or rather, to update now, since it says PEtab instead of PEtab SciML test suite
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Ahh yes, good point!