RDKit::StructureCheck::AugmentedAtom Struct Reference

#include <StructChecker.h>

Public Member Functions
	AugmentedAtom ()
	AugmentedAtom (const std::string &symbol, const std::string &name, int charge, RadicalType radical, AATopology topology)

Public Attributes
std::string	AtomSymbol
std::string	ShortName
int	Charge
RadicalType	Radical
AATopology	Topology
std::vector< Ligand >	Ligands

Detailed Description

Definition at line 76 of file StructChecker.h.

Constructor & Destructor Documentation

AugmentedAtom() [1/2]

RDKit::StructureCheck::AugmentedAtom::AugmentedAtom ( )

inline

Definition at line 84 of file StructChecker.h.

References RDKit::StructureCheck::ANY_CHARGE, RDKit::StructureCheck::ANY_RADICAL, Charge, Radical, Topology, and RDKit::StructureCheck::TP_NONE.

AugmentedAtom() [2/2]

RDKit::StructureCheck::AugmentedAtom::AugmentedAtom ( const std::string & symbol, const std::string & name, int charge, RadicalType radical, AATopology topology )

inline

Definition at line 87 of file StructChecker.h.

References AtomSymbol, Charge, Radical, ShortName, symbol, and Topology.

Member Data Documentation

AtomSymbol

std::string RDKit::StructureCheck::AugmentedAtom::AtomSymbol

Definition at line 77 of file StructChecker.h.

Referenced by AugmentedAtom().

Charge

int RDKit::StructureCheck::AugmentedAtom::Charge

Definition at line 79 of file StructChecker.h.

Referenced by AugmentedAtom(), and AugmentedAtom().

Ligands

std::vector<Ligand> RDKit::StructureCheck::AugmentedAtom::Ligands

Definition at line 82 of file StructChecker.h.

Radical

RadicalType RDKit::StructureCheck::AugmentedAtom::Radical

Definition at line 80 of file StructChecker.h.

Referenced by AugmentedAtom(), and AugmentedAtom().

ShortName

std::string RDKit::StructureCheck::AugmentedAtom::ShortName

Definition at line 78 of file StructChecker.h.

Referenced by AugmentedAtom().

Topology

AATopology RDKit::StructureCheck::AugmentedAtom::Topology

Definition at line 81 of file StructChecker.h.

Referenced by AugmentedAtom(), and AugmentedAtom().

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The documentation for this struct was generated from the following file:

• StructChecker.h