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try:
salt = Chem.MolFromSmarts(splitL[0])
except:
import traceback
traceback.print_exc(line)
raise ValueError(line)
However, MolFromSmarts returns None on error. It doesn't raise an exception. As a result, self.salts gets a None in it, leaving StripMol() to raise a Boost ArgumentError when DeleteSubstructs is passed a None instead of a pattern.
The fix is to replace the above with:
salt = Chem.MolFromSmarts(splitL[0])
if salt is None:
raise ValueError(line)
The text was updated successfully, but these errors were encountered:
SaltBuilder._initPatterns does the following:
However, MolFromSmarts returns None on error. It doesn't raise an exception. As a result, self.salts gets a None in it, leaving StripMol() to raise a Boost ArgumentError when DeleteSubstructs is passed a None instead of a pattern.
The fix is to replace the above with:
The text was updated successfully, but these errors were encountered: