RDKit
Open-source cheminformatics and machine learning.
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RDKit::AtomEnvironmentGenerator< OutputType > Member List

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

dp_fingerprintArgumentsRDKit::AtomEnvironmentGenerator< OutputType >
fromJSON(const boost::property_tree::ptree &)RDKit::AtomEnvironmentGenerator< OutputType >inlinevirtual
getEnvironments(const ROMol &mol, FingerprintArguments *arguments, const std::vector< std::uint32_t > *fromAtoms=nullptr, const std::vector< std::uint32_t > *ignoreAtoms=nullptr, const int confId=-1, const AdditionalOutput *additionalOutput=nullptr, const std::vector< std::uint32_t > *atomInvariants=nullptr, const std::vector< std::uint32_t > *bondInvariants=nullptr, const bool hashResults=false) const =0RDKit::AtomEnvironmentGenerator< OutputType >pure virtual
getResultSize() const =0RDKit::AtomEnvironmentGenerator< OutputType >pure virtual
infoString() const =0RDKit::AtomEnvironmentGenerator< OutputType >pure virtual
toJSON(boost::property_tree::ptree &) constRDKit::AtomEnvironmentGenerator< OutputType >inlinevirtual
~AtomEnvironmentGenerator()RDKit::AtomEnvironmentGenerator< OutputType >inlinevirtual