RDKit
Open-source cheminformatics and machine learning.
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RDKit::TopologicalTorsion::TopologicalTorsionArguments Member List

This is the complete list of members for RDKit::TopologicalTorsion::TopologicalTorsionArguments, including all inherited members.

commonArgumentsString() constRDKit::FingerprintArguments
d_countBoundsRDKit::FingerprintArguments
d_fpSizeRDKit::FingerprintArguments
d_numBitsPerFeatureRDKit::FingerprintArguments
d_torsionAtomCountRDKit::TopologicalTorsion::TopologicalTorsionArguments
df_countSimulationRDKit::FingerprintArguments
df_includeChiralityRDKit::FingerprintArguments
df_onlyShortestPathsRDKit::TopologicalTorsion::TopologicalTorsionArguments
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::TopologicalTorsion::TopologicalTorsionArgumentsvirtual
infoString() const overrideRDKit::TopologicalTorsion::TopologicalTorsionArgumentsvirtual
toJSON(boost::property_tree::ptree &pt) const overrideRDKit::TopologicalTorsion::TopologicalTorsionArgumentsvirtual
TopologicalTorsionArguments(const bool includeChirality=false, const uint32_t torsionAtomCount=4, const bool countSimulation=true, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, const std::uint32_t fpSize=2048)RDKit::TopologicalTorsion::TopologicalTorsionArguments
~FingerprintArguments()RDKit::FingerprintArgumentsinlinevirtual