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( (object)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( (object)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::string='']]]]]]]]]]])