Open-source cheminformatics and machine learning.
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 62 of file StructChecker.h.

Constructor & Destructor Documentation

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

Definition at line 68 of file StructChecker.h.

Member Data Documentation

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

Definition at line 63 of file StructChecker.h.

AABondType RDKit::StructureCheck::Ligand::BondType

Definition at line 67 of file StructChecker.h.

int RDKit::StructureCheck::Ligand::Charge

Definition at line 64 of file StructChecker.h.

RadicalType RDKit::StructureCheck::Ligand::Radical

Definition at line 65 of file StructChecker.h.

unsigned RDKit::StructureCheck::Ligand::SubstitutionCount

Definition at line 66 of file StructChecker.h.

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