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fix function name
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chebai_graph/preprocessing/reader/reader.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,7 @@
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import os
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import chebai.preprocessing.reader as dr
4-
from chebai.preprocessing.datasets.chebi import sanitize_molecule
4+
from chebai.preprocessing.datasets.chebi import _sanitize_molecule
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import networkx as nx
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import pysmiles as ps
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import rdkit.Chem as Chem
@@ -61,7 +61,7 @@ def _smiles_to_mol(self, smiles: str) -> Chem.rdchem.Mol | None:
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self.failed_counter += 1
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else:
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try:
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sanitize_molecule(mol)
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_sanitize_molecule(mol)
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except Exception as e:
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print(f"Rdkit failed at sanitizing {smiles}, \n Error: {e}")
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self.failed_counter += 1
@@ -210,7 +210,7 @@ def _smiles_to_mol(self, smiles: str) -> Chem.rdchem.Mol | None:
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print(f"RDKit failed to at parsing {smiles} (returned None)")
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else:
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try:
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sanitize_molecule(mol)
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_sanitize_molecule(mol)
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except Exception as e:
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print(f"Rdkit failed at sanitizing {smiles}, \n Error: {e}")
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return mol

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