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fix: avoid calling UpdatePropertyCache (#2322)
Fix #2307. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Bug Fixes** - Improved error handling for molecule SMILES conversion - Enhanced molecule name and isomer identification logic Note: These changes are primarily internal improvements to the molecule processing functionality, which may provide more robust handling of chemical data conversions. <!-- end of auto-generated comment: release notes by coderabbit.ai --> Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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reacnetgenerator/_path.py

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@@ -267,7 +267,6 @@ def convertSMILES(self, atoms, bonds):
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# https://github.com/rdkit/rdkit/discussions/6613#discussioncomment-6688021
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for a in m.GetAtoms(): # type:ignore
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a.SetNoImplicit(True)
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a.UpdatePropertyCache()
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name = Chem.MolToSmiles(m)
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return self._re(name)
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