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

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

getEnvironments(const ROMol &mol, FingerprintArguments< OutputType > *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
infoString() const =0RDKit::AtomEnvironmentGenerator< OutputType >pure virtual
~AtomEnvironmentGenerator()RDKit::AtomEnvironmentGenerator< OutputType >inlinevirtual