Module rdinchi

InchiToInchiKey( (str)inchi) -> str :
    return the InChI key for an InChI string

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > InchiToInchiKey(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

InchiToMol( (str)inchi [, (bool)sanitize=True [, (bool)removeHs=True]]) -> tuple :
    return a ROMol for a InChI string
      Returns:
        a tuple with:
          - the molecule
          - the return code from the InChI conversion
          - a string with any messages from the InChI conversion
          - a string with any log messages from the InChI conversion
    

    C++ signature :
        boost::python::tuple InchiToMol(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=True [,bool=True]])

MolToInchi( (Mol)mol [, (str)options='']) -> tuple :
    return the InChI for a ROMol molecule.
    
      Arguments:
        - mol: the molecule to use.
        - options: the InChI generation options.
          Options should be prefixed with either a - or a /
          Available options are explained in the InChI technical FAQ:
          http://www.inchi-trust.org/fileadmin/user_upload/html/inchifaq/inchi-faq.html#15.14
          and the User Guide:
          http://www.inchi-trust.org/fileadmin/user_upload/software/inchi-v1.04/InChI_UserGuide.pdf
      Returns:
        a tuple with:
          - the InChI
          - the return code from the InChI conversion
          - a string with any messages from the InChI conversion
          - a string with any log messages from the InChI conversion
          - a string with the InChI AuxInfo
    

    C++ signature :
        boost::python::tuple MolToInchi(RDKit::ROMol [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >=''])