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InchiReadWriteError |
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INCHI_AVAILABLE = True
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logger = RDLogger.logger()
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logLevelToLogFunctionLookup =
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__package__ =
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Imports: logging, rdinchi, RDLogger
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Construct a molecule from a InChI string Keyword arguments: sanitize -- set to True to enable sanitization of the molecule. Default is True removeHs -- set to True to remove Hydrogens from a molecule. This only makes sense when sanitization is enabled logLevel -- the log level used for logging logs and messages from InChI API. set to None to diable the logging completely treatWarningAsError -- set to True to raise an exception in case of a molecule that generates warning in calling InChI API. The resultant molecule and error message are part of the excpetion Returns: a rdkit.Chem.rdchem.Mol instance |
Returns the standard InChI string and InChI auxInfo for a molecule Keyword arguments: logLevel -- the log level used for logging logs and messages from InChI API. set to None to diable the logging completely treatWarningAsError -- set to True to raise an exception in case of a molecule that generates warning in calling InChI API. The resultant InChI string and AuxInfo string as well as the error message are encoded in the exception. Returns: a tuple of the standard InChI string and the auxInfo string returned by InChI API, in that order, for the input molecule |
Returns the standard InChI string for a molecule Keyword arguments: logLevel -- the log level used for logging logs and messages from InChI API. set to None to diable the logging completely treatWarningAsError -- set to True to raise an exception in case of a molecule that generates warning in calling InChI API. The resultant InChI string and AuxInfo string as well as the error message are encoded in the exception. Returns: the standard InChI string returned by InChI API for the input molecule |
Return the InChI key for the given InChI string. Return None on error |
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logLevelToLogFunctionLookup
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