RDKit::StereoGroup Class Reference

#include <StereoGroup.h>

Public Member Functions
	StereoGroup ()
	StereoGroup (StereoGroupType grouptype, std::vector< Atom *> &&atoms)
StereoGroupType	getGroupType () const
const std::vector< Atom * > &	getAtoms () const
bool	operator== (const StereoGroup &other) const
bool	operator!= (const StereoGroup &other) const

Detailed Description

StereoGroup is a collection of atoms with a known stereochemical relationship

Used to help represent a sample with unknown stereochemistry, or that is a mix of diastereomers.

Definition at line 41 of file StereoGroup.h.

Constructor & Destructor Documentation

StereoGroup() [1/2]

RDKit::StereoGroup::StereoGroup ( )

inline

Definition at line 47 of file StereoGroup.h.

StereoGroup() [2/2]

RDKit::StereoGroup::StereoGroup	(	StereoGroupType	grouptype,
		std::vector< Atom *> &&	atoms
	)

Member Function Documentation

getAtoms()

const std::vector<Atom*>& RDKit::StereoGroup::getAtoms

(

)

const

getGroupType()

StereoGroupType RDKit::StereoGroup::getGroupType

(

)

const

operator!=()

bool RDKit::StereoGroup::operator!= ( const StereoGroup &  other ) const

inline

Definition at line 57 of file StereoGroup.h.

References RDKIT_GRAPHMOL_EXPORT, RDKit::removeGroupsWithAtom(), and RDKit::removeGroupsWithAtoms().

operator==()

bool RDKit::StereoGroup::operator== ( const StereoGroup &  other ) const

inline

Definition at line 54 of file StereoGroup.h.

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

• StereoGroup.h