forked from enviPath/enviPy
Basic System (#31)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#31
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@ -228,6 +228,14 @@ class FormatConverter(object):
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#
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# return list(res)
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@staticmethod
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def is_valid_smirks(smirks: str) -> bool:
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try:
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rdChemReactions.ReactionFromSmarts(smirks)
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return True
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except:
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return False
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@staticmethod
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def apply(smiles: str, smirks: str, preprocess_smiles: bool = True, bracketize: bool = False,
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standardize: bool = True, kekulize: bool = True) -> List['ProductSet']:
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