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lines changed Original file line number Diff line number Diff line change 11import os
22
33import chebai .preprocessing .reader as dr
4- from chebai .preprocessing .datasets .chebi import sanitize_molecule
4+ from chebai .preprocessing .datasets .chebi import _sanitize_molecule
55import networkx as nx
66import pysmiles as ps
77import rdkit .Chem as Chem
@@ -61,7 +61,7 @@ def _smiles_to_mol(self, smiles: str) -> Chem.rdchem.Mol | None:
6161 self .failed_counter += 1
6262 else :
6363 try :
64- sanitize_molecule (mol )
64+ _sanitize_molecule (mol )
6565 except Exception as e :
6666 print (f"Rdkit failed at sanitizing { smiles } , \n Error: { e } " )
6767 self .failed_counter += 1
@@ -210,7 +210,7 @@ def _smiles_to_mol(self, smiles: str) -> Chem.rdchem.Mol | None:
210210 print (f"RDKit failed to at parsing { smiles } (returned None)" )
211211 else :
212212 try :
213- sanitize_molecule (mol )
213+ _sanitize_molecule (mol )
214214 except Exception as e :
215215 print (f"Rdkit failed at sanitizing { smiles } , \n Error: { e } " )
216216 return mol
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