rdkit.Chem.rdFMCS

Package rdkit :: Package Chem :: Module rdFMCS |
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# Module rdFMCS

    Module containing a C++ implementation of the FMCS algorithm

Classes | [hide private]
| AtomCompare
| BondCompare
| MCSResult used to return MCS results

Functions | [hide private]
FindMCS(...) FindMCS( (AtomPairsParameters)mols [, (bool)maximizeBonds=True [, (float)threshold=1.0 [, (int)timeout=3600 [, (bool)verbose=False [, (bool)matchValences=False [, (bool)ringMatchesRingOnly=False [, (bool)completeRingsOnly=False [, (bool)matchChiralTag=False [, (AtomCompare)atomCompare=rdkit.Chem.rdFMCS.AtomCompare.CompareElements [, (BondCompare)bondCompare=rdkit.Chem.rdFMCS.BondCompare.CompareOrder [, (str)seedSmarts='']]]]]]]]]]]) -> MCSResult : Find the MCS for a set of molecules |

Variables | [hide private]
| __package__ = `None` hash(x)

Function Details | [hide private]

### FindMCS(...) |
    FindMCS( (AtomPairsParameters)mols [, (bool)maximizeBonds=True [, (float)threshold=1.0 [, (int)timeout=3600 [, (bool)verbose=False [, (bool)matchValences=False [, (bool)ringMatchesRingOnly=False [, (bool)completeRingsOnly=False [, (bool)matchChiralTag=False [, (AtomCompare)atomCompare=rdkit.Chem.rdFMCS.AtomCompare.CompareElements [, (BondCompare)bondCompare=rdkit.Chem.rdFMCS.BondCompare.CompareOrder [, (str)seedSmarts='']]]]]]]]]]]) -> MCSResult :
        Find the MCS for a set of molecules

        C++ signature :
            RDKit::MCSResult* FindMCS(boost::python::api::object [,bool=True [,double=1.0 [,unsigned int=3600 [,bool=False [,bool=False [,bool=False [,bool=False [,bool=False [,RDKit::AtomComparator=rdkit.Chem.rdFMCS.AtomCompare.CompareElements [,RDKit::BondComparator=rdkit.Chem.rdFMCS.BondCompare.CompareOrder [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='']]]]]]]]]]])