RDKit
Open-source cheminformatics and machine learning.
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RDKit::RascalMCES::RascalResult Member List

This is the complete list of members for RDKit::RascalMCES::RascalResult, including all inherited members.

getAtomMatches() constRDKit::RascalMCES::RascalResultinline
getAtomMatchScore() constRDKit::RascalMCES::RascalResult
getBondMatches() constRDKit::RascalMCES::RascalResultinline
getLargestFragSize() constRDKit::RascalMCES::RascalResult
getMaxDeltaAtomAtomDist() constRDKit::RascalMCES::RascalResult
getMcesMol() constRDKit::RascalMCES::RascalResult
getNumFrags() constRDKit::RascalMCES::RascalResult
getRingNonRingBondScore() constRDKit::RascalMCES::RascalResult
getSimilarity() constRDKit::RascalMCES::RascalResult
getSmarts() constRDKit::RascalMCES::RascalResult
getTier1Sim() constRDKit::RascalMCES::RascalResultinline
getTier2Sim() constRDKit::RascalMCES::RascalResultinline
getTimedOut() constRDKit::RascalMCES::RascalResultinline
largestFragOnly()RDKit::RascalMCES::RascalResult
largestFragsOnly(unsigned int numFrags=2)RDKit::RascalMCES::RascalResult
operator=(const RascalResult &other)RDKit::RascalMCES::RascalResult
operator=(RascalResult &&other)=defaultRDKit::RascalMCES::RascalResult
RascalResult(const RDKit::ROMol &mol1, const RDKit::ROMol &mol2, const std::vector< std::vector< int > > &adjMatrix1, const std::vector< std::vector< int > > &adjMatrix2, const std::vector< unsigned int > &clique, const std::vector< std::pair< int, int > > &vtx_pairs, bool timedOut, bool swapped, double tier1Sim, double tier2Sim, bool ringMatchesRingOnly, bool singleLargestFrag, int minFragSep, bool exactConnectionsMatch=false, const std::string &equivalentAtoms="", bool ignoreBondOrders=false)RDKit::RascalMCES::RascalResult
RascalResult(double tier1Sim, double tier2Sim)RDKit::RascalMCES::RascalResult
RascalResult(const RascalResult &other)RDKit::RascalMCES::RascalResult
RascalResult(RascalResult &&other)=defaultRDKit::RascalMCES::RascalResult
trimSmallFrags(unsigned int minFragSize=3)RDKit::RascalMCES::RascalResult
~RascalResult()=defaultRDKit::RascalMCES::RascalResult