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Update mol_preprocessor.py
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Lines changed: 3 additions & 3 deletions

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nfp/preprocessing/mol_preprocessor.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -16,8 +16,8 @@
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class MolPreprocessor(Preprocessor):
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def __init__(
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self,
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atom_features: Optional[Callable[[rdkit.Chem.Atom], Hashable]] = None,
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bond_features: Optional[Callable[[rdkit.Chem.Bond], Hashable]] = None,
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atom_features: Optional[Callable[["rdkit.Chem.Atom"], Hashable]] = None,
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bond_features: Optional[Callable[["rdkit.Chem.Bond"], Hashable]] = None,
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**kwargs,
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) -> None:
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super(MolPreprocessor, self).__init__(**kwargs)
@@ -34,7 +34,7 @@ def __init__(
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self.atom_features = atom_features
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self.bond_features = bond_features
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def create_nx_graph(self, mol: rdkit.Chem.Mol, **kwargs) -> nx.DiGraph:
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def create_nx_graph(self, mol: "rdkit.Chem.Mol", **kwargs) -> nx.DiGraph:
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g = nx.Graph(mol=mol)
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g.add_nodes_from(((atom.GetIdx(), {"atom": atom}) for atom in mol.GetAtoms()))
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g.add_edges_from(

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