RDKit
Open-source cheminformatics and machine learning.
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RDKit::RDKitFP::RDKitFPArguments Member List

This is the complete list of members for RDKit::RDKitFP::RDKitFPArguments, including all inherited members.

commonArgumentsString() constRDKit::FingerprintArguments
d_countBoundsRDKit::FingerprintArguments
d_fpSizeRDKit::FingerprintArguments
d_maxPathRDKit::RDKitFP::RDKitFPArguments
d_minPathRDKit::RDKitFP::RDKitFPArguments
d_numBitsPerFeatureRDKit::FingerprintArguments
df_branchedPathsRDKit::RDKitFP::RDKitFPArguments
df_countSimulationRDKit::FingerprintArguments
df_includeChiralityRDKit::FingerprintArguments
df_useBondOrderRDKit::RDKitFP::RDKitFPArguments
df_useHsRDKit::RDKitFP::RDKitFPArguments
FingerprintArguments(bool countSimulation, const std::vector< std::uint32_t > countBounds, std::uint32_t fpSize, std::uint32_t numBitsPerFeature=1, bool includeChirality=false)RDKit::FingerprintArguments
FingerprintArguments()=defaultRDKit::FingerprintArguments
fromJSON(const boost::property_tree::ptree &pt) overrideRDKit::RDKitFP::RDKitFPArgumentsvirtual
infoString() const overrideRDKit::RDKitFP::RDKitFPArgumentsvirtual
RDKitFPArguments(unsigned int minPath=1, unsigned int maxPath=7, bool useHs=true, bool branchedPaths=true, bool useBondOrder=true, bool countSimulation=false, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, std::uint32_t fpSize=2048, std::uint32_t numBitsPerFeature=2)RDKit::RDKitFP::RDKitFPArguments
toJSON(boost::property_tree::ptree &pt) const overrideRDKit::RDKitFP::RDKitFPArgumentsvirtual
~FingerprintArguments()RDKit::FingerprintArgumentsinlinevirtual