RDKit
Open-source cheminformatics and machine learning.
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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 Query &query, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1) constRDKit::SubstructLibraryinline
countMatches(const Query &query, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibraryinline
countMatches(const Query &query, unsigned int startIdx, unsigned int endIdx, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1) constRDKit::SubstructLibraryinline
countMatches(const ROMol &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
countMatches(const TautomerQuery &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
countMatches(const MolBundle &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
countMatches(const ExtendedQueryMol &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
getFingerprints()RDKit::SubstructLibraryinline
getFingerprints() constRDKit::SubstructLibraryinline
getFpHolder()RDKit::SubstructLibraryinline
getFpHolder() constRDKit::SubstructLibraryinline
getKeyHolder()RDKit::SubstructLibraryinline
getKeyHolder() constRDKit::SubstructLibraryinline
getKeys()RDKit::SubstructLibraryinline
getKeys() constRDKit::SubstructLibraryinline
getMatches(const Query &query, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1, int maxResults=-1) constRDKit::SubstructLibraryinline
getMatches(const Query &query, const SubstructMatchParameters &params, int numThreads=-1, int maxResults=-1) constRDKit::SubstructLibraryinline
getMatches(const Query &query, unsigned int startIdx, unsigned int endIdx, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1, int maxResults=-1) constRDKit::SubstructLibraryinline
getMatches(const ROMol &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1, int maxResults=-1) constRDKit::SubstructLibrary
getMatches(const MolBundle &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1, int maxResults=-1) constRDKit::SubstructLibrary
getMatches(const TautomerQuery &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1, int maxResults=-1) constRDKit::SubstructLibrary
getMatches(const ExtendedQueryMol &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1, int maxResults=-1) constRDKit::SubstructLibrary
getMol(unsigned int idx) constRDKit::SubstructLibraryinline
getMolecules() constRDKit::SubstructLibraryinline
getMolHolder()RDKit::SubstructLibraryinline
getMolHolder() constRDKit::SubstructLibraryinline
getSearchOrder() constRDKit::SubstructLibraryinline
getSearchOrder()RDKit::SubstructLibraryinline
hasMatch(const Query &query, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1) constRDKit::SubstructLibraryinline
hasMatch(const Query &query, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibraryinline
hasMatch(const Query &query, unsigned int startIdx, unsigned int endIdx, bool recursionPossible=true, bool useChirality=true, bool useQueryQueryMatches=false, int numThreads=-1) constRDKit::SubstructLibraryinline
hasMatch(const ROMol &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
hasMatch(const TautomerQuery &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
hasMatch(const MolBundle &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
hasMatch(const ExtendedQueryMol &query, unsigned int startIdx, unsigned int endIdx, const SubstructMatchParameters &params, int numThreads=-1) constRDKit::SubstructLibrary
initFromStream(std::istream &ss)RDKit::SubstructLibrary
initFromString(const std::string &text)RDKit::SubstructLibrary
operator[](unsigned int idx)RDKit::SubstructLibraryinline
resetHolders()RDKit::SubstructLibraryinline
Serialize() constRDKit::SubstructLibrary
setSearchOrder(const std::vector< unsigned int > &order)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
SubstructLibrary(boost::shared_ptr< MolHolderBase > molecules, boost::shared_ptr< KeyHolderBase > keys)RDKit::SubstructLibraryinline
SubstructLibrary(boost::shared_ptr< MolHolderBase > molecules, boost::shared_ptr< FPHolderBase > fingerprints, boost::shared_ptr< KeyHolderBase > keys)RDKit::SubstructLibraryinline
SubstructLibrary(const std::string &pickle)RDKit::SubstructLibraryinline
toStream(std::ostream &ss) constRDKit::SubstructLibrary