Fix fixable ruff rules
#4015
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Fix fixable ruff rules
#4015
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DanielYang59
commented
Aug 25, 2024
| @@ -83,7 +83,7 @@ def get_parameter_updates( | |||
| dict: The updated for the parameters for the output section of FHI-aims | |||
| """ | |||
| if isinstance(structure, Molecule): | |||
| raise ValueError("BandStructures can not be made for non-periodic systems") # noqa: TRY004 | |||
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ValueError changed to TypeError, tests seem to pass.
DanielYang59
commented
Aug 25, 2024
| monkeypatch.setitem(SETTINGS, "AIMS_SPECIES_DIR", f"{TEST_FILES_DIR}/io/aims/species_directory") | ||
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| def check_band(test_line: str, ref_line: str) -> bool: |
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Need confirm: these helper functions for testing io.aims is relocated from pymatgen.util.testing.aims, was the original location intended? Is it safe to relocate them into tests? @shyuep
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DanielYang59
commented
Aug 26, 2024
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DanielYang59
commented
Aug 27, 2024
DanielYang59
commented
Aug 27, 2024
janosh
approved these changes
Aug 28, 2024
|
No problem, thanks for reviewing! |
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Summary
Fix fixable
ruffrulesTODOs
io.aimsdoesn't follow name convention, and has test files inside it.pymatgen/pyproject.toml
Line 209 in 41e4c69
io.abinit.pseudoand io.cp2k keywords, PD rules trigger on non-Pandas DataFrames astral-sh/ruff#6432)