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Black linting
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DomInvivo committed Jan 19, 2024
1 parent 19055b2 commit 7fd861c
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Showing 2 changed files with 6 additions and 2 deletions.
4 changes: 3 additions & 1 deletion graphium/data/smiles_transform.py
Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,9 @@ def smiles_to_unique_mol_id(smiles: str) -> Optional[str]:
mol_id: a string unique ID
"""
try:
mol = dm.to_mol(mol=smiles) # Doesn't need `ordered=True` because the unique_id doesn't depend on the atom order
mol = dm.to_mol(
mol=smiles
) # Doesn't need `ordered=True` because the unique_id doesn't depend on the atom order
mol_id = dm.unique_id(mol)
except:
mol_id = ""
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4 changes: 3 additions & 1 deletion graphium/features/properties.py
Original file line number Diff line number Diff line change
Expand Up @@ -80,7 +80,9 @@ def get_props_from_mol(
logger.warning("get_props_from_mol is deprecated. Use `datamol.to_fp` instead.")

if isinstance(mol, str):
mol = dm.to_mol(mol) # Doesn't need `ordered=True` because the fingerprints don't depend on the atom order
mol = dm.to_mol(
mol
) # Doesn't need `ordered=True` because the fingerprints don't depend on the atom order

if isinstance(properties, str):
properties = [properties]
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