RDKit
Open-source cheminformatics and machine learning.
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RDKit::EnumerateStereoisomers::details::AtropisomerFlipper Struct Reference

#include <Flippers.h>

Inheritance diagram for RDKit::EnumerateStereoisomers::details::AtropisomerFlipper:
RDKit::EnumerateStereoisomers::details::Flipper

Public Member Functions

 AtropisomerFlipper ()=delete
 
 AtropisomerFlipper (RWMol &mol, const Chirality::StereoInfo &si)
 
 AtropisomerFlipper (const AtropisomerFlipper &other)=delete
 
 AtropisomerFlipper (AtropisomerFlipper &&other)=delete
 
AtropisomerFlipperoperator= (const AtropisomerFlipper &other)=delete
 
AtropisomerFlipperoperator= (AtropisomerFlipper &&other)=delete
 
 ~AtropisomerFlipper () override=default
 
void flip (bool flag) override
 
- Public Member Functions inherited from RDKit::EnumerateStereoisomers::details::Flipper
 Flipper ()=default
 
 Flipper (const Flipper &other)=delete
 
 Flipper (Flipper &&other)=delete
 
Flipperoperator= (const Flipper &other)=delete
 
Flipperoperator= (Flipper &&other)=delete
 
virtual ~Flipper ()=default
 

Public Attributes

Bonddp_bond {nullptr}
 
std::vector< unsigned int > d_ctrlAtoms
 

Detailed Description

Definition at line 88 of file Flippers.h.

Constructor & Destructor Documentation

◆ AtropisomerFlipper() [1/4]

RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::AtropisomerFlipper ( )
delete

◆ AtropisomerFlipper() [2/4]

RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::AtropisomerFlipper ( RWMol & mol,
const Chirality::StereoInfo & si )

◆ AtropisomerFlipper() [3/4]

RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::AtropisomerFlipper ( const AtropisomerFlipper & other)
delete

References AtropisomerFlipper().

◆ AtropisomerFlipper() [4/4]

RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::AtropisomerFlipper ( AtropisomerFlipper && other)
delete

References AtropisomerFlipper().

◆ ~AtropisomerFlipper()

RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::~AtropisomerFlipper ( )
overridedefault

Member Function Documentation

◆ flip()

void RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::flip ( bool flag)
overridevirtual

◆ operator=() [1/2]

AtropisomerFlipper & RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::operator= ( AtropisomerFlipper && other)
delete

References AtropisomerFlipper().

◆ operator=() [2/2]

AtropisomerFlipper & RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::operator= ( const AtropisomerFlipper & other)
delete

References AtropisomerFlipper().

Member Data Documentation

◆ d_ctrlAtoms

std::vector<unsigned int> RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::d_ctrlAtoms

Definition at line 101 of file Flippers.h.

◆ dp_bond

Bond* RDKit::EnumerateStereoisomers::details::AtropisomerFlipper::dp_bond {nullptr}

Definition at line 100 of file Flippers.h.


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