RDKit: Member List

| RDKit Open-source cheminformatics and machine learning.

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RDKit::FingerprintGenerator< OutputType > Member List

This is the complete list of members for RDKit::FingerprintGenerator< OutputType >, including all inherited members.

FingerprintGenerator(AtomEnvironmentGenerator< OutputType > *atomEnvironmentGenerator, FingerprintArguments *fingerprintArguments, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, BondInvariantsGenerator *bondInvariantsGenerator=nullptr, bool ownsAtomInvGenerator=false, bool ownsBondInvGenerator=false) | RDKit::FingerprintGenerator< OutputType > |
fromJSON(const boost::property_tree::ptree &pt) | RDKit::FingerprintGenerator< OutputType > |
getCountFingerprint(const ROMol &mol, FingerprintFuncArguments &args) const | RDKit::FingerprintGenerator< OutputType > |
getCountFingerprint(const ROMol &mol, const std::vector< std::uint32_t > *fromAtoms=nullptr, const std::vector< std::uint32_t > *ignoreAtoms=nullptr, int confId=-1, AdditionalOutput *additionalOutput=nullptr, const std::vector< std::uint32_t > *customAtomInvariants=nullptr, const std::vector< std::uint32_t > *customBondInvariants=nullptr) const | RDKit::FingerprintGenerator< OutputType > | inline
getCountFingerprints(const std::vector< const ROMol * > &mols, int numThreads=1) const | RDKit::FingerprintGenerator< OutputType > |
getFingerprint(const ROMol &mol, FingerprintFuncArguments &args) const | RDKit::FingerprintGenerator< OutputType > |
getFingerprint(const ROMol &mol, const std::vector< std::uint32_t > *fromAtoms=nullptr, const std::vector< std::uint32_t > *ignoreAtoms=nullptr, int confId=-1, AdditionalOutput *additionalOutput=nullptr, const std::vector< std::uint32_t > *customAtomInvariants=nullptr, const std::vector< std::uint32_t > *customBondInvariants=nullptr) const | RDKit::FingerprintGenerator< OutputType > | inline
getFingerprints(const std::vector< const ROMol * > &mols, int numThreads=1) const | RDKit::FingerprintGenerator< OutputType > |
getOptions() | RDKit::FingerprintGenerator< OutputType > | inline
getOptions() const | RDKit::FingerprintGenerator< OutputType > | inline
getSparseCountFingerprint(const ROMol &mol, FingerprintFuncArguments &args) const | RDKit::FingerprintGenerator< OutputType > |
getSparseCountFingerprint(const ROMol &mol, const std::vector< std::uint32_t > *fromAtoms=nullptr, const std::vector< std::uint32_t > *ignoreAtoms=nullptr, int confId=-1, AdditionalOutput *additionalOutput=nullptr, const std::vector< std::uint32_t > *customAtomInvariants=nullptr, const std::vector< std::uint32_t > *customBondInvariants=nullptr) const | RDKit::FingerprintGenerator< OutputType > | inline
getSparseCountFingerprints(const std::vector< const ROMol * > &mols, int numThreads=1) const | RDKit::FingerprintGenerator< OutputType > |
getSparseFingerprint(const ROMol &mol, FingerprintFuncArguments &args) const | RDKit::FingerprintGenerator< OutputType > |
getSparseFingerprint(const ROMol &mol, const std::vector< std::uint32_t > *fromAtoms=nullptr, const std::vector< std::uint32_t > *ignoreAtoms=nullptr, int confId=-1, AdditionalOutput *additionalOutput=nullptr, const std::vector< std::uint32_t > *customAtomInvariants=nullptr, const std::vector< std::uint32_t > *customBondInvariants=nullptr) const | RDKit::FingerprintGenerator< OutputType > | inline
getSparseFingerprints(const std::vector< const ROMol * > &mols, int numThreads=1) const | RDKit::FingerprintGenerator< OutputType > |
infoString() const | RDKit::FingerprintGenerator< OutputType > |
toJSON(boost::property_tree::ptree &pt) const | RDKit::FingerprintGenerator< OutputType > |
~FingerprintGenerator() | RDKit::FingerprintGenerator< OutputType > |