ruff.toml

# Exclude a variety of commonly ignored directories.
exclude = [
    ".git",
    ".pytest_cache",
    ".ruff_cache",
    "qstack.egg-info",
    "__init__.py",
]

line-length = 88
indent-width = 4

target-version = "py313"

[format]
# Like Black, use double quotes for strings.
quote-style = "double"

# Like Black, indent with spaces, rather than tabs.
indent-style = "space"

# Like Black, respect magic trailing commas.
skip-magic-trailing-comma = false

# Like Black, automatically detect the appropriate line ending.
line-ending = "auto"

# Enable auto-formatting of code examples in docstrings. Markdown,
# reStructuredText code/literal blocks and doctests are all supported.
#
# This is currently disabled by default, but it is planned for this
# to be opt-out in the future.
docstring-code-format = false

# Set the line length limit used when formatting code snippets in
# docstrings.
#
# This only has an effect when the `docstring-code-format` setting is
# enabled.
docstring-code-line-length = "dynamic"


[lint]

allowed-confusables = ["ρ", "×", "–", "γ"]

select = [
  "A", "E", "F", "B",
  "S", "COM", "C4", "EXE", "ICN", "PIE", "PLR1714", "ARG",
  "PERF", "FURB", "PLE", "TRY002", "W", "UP", "RUF", "SIM", "NPY",
  "D",
  #"FIX", "TD", # later
]
ignore = [
"E741",     # ambiguous variable name
"E731",     # do not assign lambda expression
"E501",     # line length
"RUF015",   # single element slice
"SIM3",     # yoda condition
"SIM114",   # combine if branches
"SIM108",   # use ternary operator
"D105",     # missing docstring in magic method
"D107",     # missing docstring in __init__
"D203",     # blank line required before class docstring
"D204",     # blank line required after class docstring
"D213",     # multi-line docstring summary should start at the second line
"D413",     # missing blank line after last section
]

#preview = true

extend-select = ["DOC"]
extend-ignore = [
# pathlib
  "FURB101", "FURB103",
# whitespaces
  "E201", "E202", "E203", "E211",
  "E221", "E222", "E225", "E226", "E228",
  "E231", "E241", "E271", "E272",
# lambda
  "FURB118",
]

[lint.per-file-ignores]
"qstack/spahm/rho/Dmatrix.py"           = ["E702"]  # multiple statements on one line (semicolon)
"qstack/spahm/rho/bond.py"              = ["E711"]  # comparison to `None` for np.array elements
"qstack/spahm/rho/compute_rho_spahm.py" = ["E711"]  # comparison to `None` for np.array elements
"qstack/spahm/rho/bond_selected.py"     = ["E711"]  # comparison to `None` for np.array elements
"tests/*" = [
"S101",  # use of assert
"S306",  # use of mktemp
"D", "DOC",
]
"qstack/mathutils/xyz_integrals_sym.py"   = ["D417"]   # missing argument descriptions
"qstack/mathutils/xyz_integrals_float.py" = ["D417"]   # missing argument descriptions
"qstack/reorder.py"                       = ["DOC502"] # raised exception is not explicitly raised
"qstack/orcaio.py"                        = ["DOC502"] # raised exception is not explicitly raised
"qstack/equio.py"                         = ["E251"]   # unexpected spaces around keyword / parameter equals
"qstack/spahm/rho/dmb_rep_atom.py" = [
"DOC201", # `return` is not documented in docstring
"DOC102", # documented parameter is not in the function's signature
"D214",   # section is over-indented
]