File tree Expand file tree Collapse file tree
Expand file tree Collapse file tree Original file line number Diff line number Diff line change 1616class MolPreprocessor (Preprocessor ):
1717 def __init__ (
1818 self ,
19- atom_features : Optional [Callable [[rdkit .Chem .Atom ], Hashable ]] = None ,
20- bond_features : Optional [Callable [[rdkit .Chem .Bond ], Hashable ]] = None ,
19+ atom_features : Optional [Callable [[" rdkit.Chem.Atom" ], Hashable ]] = None ,
20+ bond_features : Optional [Callable [[" rdkit.Chem.Bond" ], Hashable ]] = None ,
2121 ** kwargs ,
2222 ) -> None :
2323 super (MolPreprocessor , self ).__init__ (** kwargs )
@@ -34,7 +34,7 @@ def __init__(
3434 self .atom_features = atom_features
3535 self .bond_features = bond_features
3636
37- def create_nx_graph (self , mol : rdkit .Chem .Mol , ** kwargs ) -> nx .DiGraph :
37+ def create_nx_graph (self , mol : " rdkit.Chem.Mol" , ** kwargs ) -> nx .DiGraph :
3838 g = nx .Graph (mol = mol )
3939 g .add_nodes_from (((atom .GetIdx (), {"atom" : atom }) for atom in mol .GetAtoms ()))
4040 g .add_edges_from (
You can’t perform that action at this time.
0 commit comments