RDKit::StructureCheck::Ligand Struct Reference

#include <StructChecker.h>

Public Member Functions
	Ligand ()

Public Attributes
std::string	AtomSymbol
int	Charge
RadicalType	Radical
unsigned	SubstitutionCount
AABondType	BondType

Detailed Description

Definition at line 63 of file StructChecker.h.

Constructor & Destructor Documentation

Ligand()

RDKit::StructureCheck::Ligand::Ligand ( )

inline

Definition at line 69 of file StructChecker.h.

References RDKit::StructureCheck::ANY_BOND, RDKit::StructureCheck::ANY_CHARGE, RDKit::StructureCheck::ANY_RADICAL, BondType, Charge, Radical, and SubstitutionCount.

Member Data Documentation

AtomSymbol

std::string RDKit::StructureCheck::Ligand::AtomSymbol

Definition at line 64 of file StructChecker.h.

BondType

AABondType RDKit::StructureCheck::Ligand::BondType

Definition at line 68 of file StructChecker.h.

Referenced by Ligand().

Charge

int RDKit::StructureCheck::Ligand::Charge

Definition at line 65 of file StructChecker.h.

Referenced by Ligand().

Radical

RadicalType RDKit::StructureCheck::Ligand::Radical

Definition at line 66 of file StructChecker.h.

Referenced by Ligand().

SubstitutionCount

unsigned RDKit::StructureCheck::Ligand::SubstitutionCount

Definition at line 67 of file StructChecker.h.

Referenced by Ligand().

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

• StructChecker.h