fix: fail on unknown molecule types - #367
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Summary
Addresses A3 from #278 by making molecule type assignment fail when referenced CCD components have missing or unrecognized
_chem_comp.typemetadata.Changes
_chem_comp.ValueErrorfor referenced components with unrecognized_chem_comp.typevalues._chem_comp.type.MoleculeType.LIGAND.OTHER, multiple invalid components, and unreferenced invalid components.Related Issues
Addresses A3 from #278.
Testing
python -m pytest openfold3/tests/core/data/primitives/structure/test_labels.pypython -m ruff format --check openfold3/core/data/primitives/structure/labels.py openfold3/tests/core/data/primitives/structure/test_labels.pypython -m ruff check openfold3/core/data/primitives/structure/labels.py openfold3/tests/core/data/primitives/structure/test_labels.pyAll tests and Ruff checks pass.