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

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

addMol(const ROMol &mol)RDKit::SubstructLibrary
countMatches(const ROMol &query, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1)RDKit::SubstructLibrary
countMatches(const ROMol &query, unsigned int startIdx, unsigned int endIdx, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1)RDKit::SubstructLibrary
getFingerprints()RDKit::SubstructLibraryinline
getFingerprints() constRDKit::SubstructLibraryinline
getMatches(const ROMol &query, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1, int maxResults=-1)RDKit::SubstructLibrary
getMatches(const ROMol &query, unsigned int startIdx, unsigned int endIdx, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1, int maxResults=-1)RDKit::SubstructLibrary
getMol(unsigned int idx) constRDKit::SubstructLibraryinline
getMolecules() constRDKit::SubstructLibraryinline
getMolHolder()RDKit::SubstructLibraryinline
hasMatch(const ROMol &query, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1)RDKit::SubstructLibrary
hasMatch(const ROMol &query, unsigned int startIdx, unsigned int endIdx, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1)RDKit::SubstructLibrary
operator[](unsigned int idx)RDKit::SubstructLibraryinline
size() constRDKit::SubstructLibraryinline
SubstructLibrary()RDKit::SubstructLibraryinline
SubstructLibrary(boost::shared_ptr< MolHolderBase > molecules)RDKit::SubstructLibraryinline
SubstructLibrary(boost::shared_ptr< MolHolderBase > molecules, boost::shared_ptr< FPHolderBase > fingerprints)RDKit::SubstructLibraryinline