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RDKit
Open-source cheminformatics and machine learning.
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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::SubstructLibrary | inline |
getFingerprints() const | RDKit::SubstructLibrary | inline |
getFpHolder() | RDKit::SubstructLibrary | inline |
getFpHolder() const | RDKit::SubstructLibrary | inline |
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) const | RDKit::SubstructLibrary | inline |
getMolecules() const | RDKit::SubstructLibrary | inline |
getMolHolder() | RDKit::SubstructLibrary | inline |
getMolHolder() const | RDKit::SubstructLibrary | inline |
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 | |
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 | |
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(const std::string &pickle) | RDKit::SubstructLibrary | inline |
toStream(std::ostream &ss) const | RDKit::SubstructLibrary |