yoshida-lab / XenonPy

XenonPy is a Python Software for Materials Informatics
http://xenonpy.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Error fix for proposal #97

Closed stewu5 closed 5 years ago

stewu5 commented 5 years ago

When a molecule is found not to be able to convert to Mol, current proposal class directly skip the generated smiles string. Instead, we should either fill in with None or return back to the old smiles string, and throw out a warning for that.