RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
RDKit::AtomPair::AtomPairArguments Member List

This is the complete list of members for RDKit::AtomPair::AtomPairArguments, including all inherited members.

AtomPairArguments(const bool countSimulation=true, const bool includeChirality=false, const bool use2D=true, const unsigned int minDistance=1, const unsigned int maxDistance=(maxPathLen - 1), const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, const std::uint32_t fpSize=2048)RDKit::AtomPair::AtomPairArguments
commonArgumentsString() constRDKit::FingerprintArguments
d_countBoundsRDKit::FingerprintArguments
d_fpSizeRDKit::FingerprintArguments
d_maxDistanceRDKit::AtomPair::AtomPairArguments
d_minDistanceRDKit::AtomPair::AtomPairArguments
d_numBitsPerFeatureRDKit::FingerprintArguments
df_countSimulationRDKit::FingerprintArguments
df_includeChiralityRDKit::FingerprintArguments
df_use2DRDKit::AtomPair::AtomPairArguments
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::AtomPair::AtomPairArgumentsvirtual
infoString() const overrideRDKit::AtomPair::AtomPairArgumentsvirtual
toJSON(boost::property_tree::ptree &pt) const overrideRDKit::AtomPair::AtomPairArgumentsvirtual
~FingerprintArguments()RDKit::FingerprintArgumentsinlinevirtual