RDKit
Open-source cheminformatics and machine learning.
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 >
getCountFingerprint(const ROMol &mol, FingerprintFuncArguments &args) constRDKit::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) constRDKit::FingerprintGenerator< OutputType >inline
getFingerprint(const ROMol &mol, FingerprintFuncArguments &args) constRDKit::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) constRDKit::FingerprintGenerator< OutputType >inline
getOptions()RDKit::FingerprintGenerator< OutputType >inline
getOptions() constRDKit::FingerprintGenerator< OutputType >inline
getSparseCountFingerprint(const ROMol &mol, FingerprintFuncArguments &args) constRDKit::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) constRDKit::FingerprintGenerator< OutputType >inline
getSparseFingerprint(const ROMol &mol, FingerprintFuncArguments &args) constRDKit::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) constRDKit::FingerprintGenerator< OutputType >inline
infoString() constRDKit::FingerprintGenerator< OutputType >
~FingerprintGenerator()RDKit::FingerprintGenerator< OutputType >