RDKit
Open-source cheminformatics and machine learning.
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RDKit::Chirality::StereoInfo Struct Reference

#include <Chirality.h>

Public Member Functions

bool operator== (const StereoInfo &other) const
 
bool operator!= (const StereoInfo &other) const
 

Public Attributes

StereoType type = StereoType::Unspecified
 
StereoSpecified specified = StereoSpecified::Unspecified
 
unsigned centeredOn = NOATOM
 
StereoDescriptor descriptor = StereoDescriptor::None
 
unsigned permutation = 0
 
std::vector< unsignedcontrollingAtoms
 

Static Public Attributes

static const unsigned NOATOM
 

Detailed Description

Definition at line 117 of file Chirality.h.

Member Function Documentation

◆ operator!=()

bool RDKit::Chirality::StereoInfo::operator!= ( const StereoInfo other) const
inline

Definition at line 138 of file Chirality.h.

◆ operator==()

bool RDKit::Chirality::StereoInfo::operator== ( const StereoInfo other) const
inline

Definition at line 132 of file Chirality.h.

References centeredOn, controllingAtoms, descriptor, permutation, specified, and type.

Member Data Documentation

◆ centeredOn

unsigned RDKit::Chirality::StereoInfo::centeredOn = NOATOM

Definition at line 127 of file Chirality.h.

Referenced by operator==().

◆ controllingAtoms

std::vector<unsigned> RDKit::Chirality::StereoInfo::controllingAtoms

Definition at line 130 of file Chirality.h.

Referenced by operator==().

◆ descriptor

StereoDescriptor RDKit::Chirality::StereoInfo::descriptor = StereoDescriptor::None

Definition at line 128 of file Chirality.h.

Referenced by operator==().

◆ NOATOM

const unsigned RDKit::Chirality::StereoInfo::NOATOM
static

Definition at line 123 of file Chirality.h.

◆ permutation

unsigned RDKit::Chirality::StereoInfo::permutation = 0

Definition at line 129 of file Chirality.h.

Referenced by operator==().

◆ specified

StereoSpecified RDKit::Chirality::StereoInfo::specified = StereoSpecified::Unspecified

Definition at line 126 of file Chirality.h.

Referenced by operator==().

◆ type

StereoType RDKit::Chirality::StereoInfo::type = StereoType::Unspecified

Definition at line 125 of file Chirality.h.

Referenced by operator==().


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