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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 |