RDKit
Open-source cheminformatics and machine learning.
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RDKit::CIPLabeler::AtropisomerBond Member List

This is the complete list of members for RDKit::CIPLabeler::AtropisomerBond, including all inherited members.

AtropisomerBond()=deleteRDKit::CIPLabeler::AtropisomerBond
AtropisomerBond(const CIPMol &mol, Bond *bond, Atom *startAtom, Atom *endAtom, Bond::BondStereo cfg)RDKit::CIPLabeler::AtropisomerBond
Configuration()=deleteRDKit::CIPLabeler::Configuration
Configuration(const CIPMol &mol, Atom *focus)RDKit::CIPLabeler::Configuration
Configuration(const CIPMol &mol, std::vector< Atom * > &&foci, bool atropisomerMode=false)RDKit::CIPLabeler::Configuration
findInternalEdge(const std::vector< Edge * > &edges, Atom *f1, Atom *f2)RDKit::CIPLabeler::Configurationprotected
getCarriers() constRDKit::CIPLabeler::Configuration
getDigraph()RDKit::CIPLabeler::Configuration
getFoci() constRDKit::CIPLabeler::Configuration
getFocus() constRDKit::CIPLabeler::Configuration
hasPrimaryLabel() const overrideRDKit::CIPLabeler::AtropisomerBondvirtual
isDuplicateOrHydrogenEdge(const Edge *edge)RDKit::CIPLabeler::Configurationprotected
isInternalEdge(const Edge *edge, Atom *f1, Atom *f2)RDKit::CIPLabeler::Configurationprotected
label(const Rules &comp) overrideRDKit::CIPLabeler::AtropisomerBondvirtual
label(Node *root1, Digraph &digraph, const Rules &comp) overrideRDKit::CIPLabeler::AtropisomerBondvirtual
parity4(const std::vector< T > &trg, const std::vector< T > &ref)RDKit::CIPLabeler::Configurationinlinestatic
removeDuplicatesAndHs(std::vector< Edge * > &edges)RDKit::CIPLabeler::Configurationprotected
removeInternalEdges(std::vector< Edge * > &edges, Atom *f1, Atom *f2)RDKit::CIPLabeler::Configurationprotected
setCarriers(std::vector< Atom * > &&carriers)RDKit::CIPLabeler::Configurationprotected
setPrimaryLabel(Descriptor desc) overrideRDKit::CIPLabeler::AtropisomerBondvirtual
~Configuration()RDKit::CIPLabeler::Configurationvirtual