RDKit: Member List

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