RDKit
Open-source cheminformatics and machine learning.
StereoGroup.h File Reference

Defines the class StereoGroup which stores relationships between the absolute configurations of atoms within a structure. More...

#include <RDGeneral/export.h>
#include <vector>

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Classes

class  RDKit::StereoGroup
 

Namespaces

 RDKit
 Std stuff.
 

Enumerations

enum  RDKit::StereoGroupType { RDKit::StereoGroupType::STEREO_ABSOLUTE = 0, RDKit::StereoGroupType::STEREO_OR = 1, RDKit::StereoGroupType::STEREO_AND = 2 }
 

Functions

RDKIT_GRAPHMOL_EXPORT void RDKit::removeGroupsWithAtom (const Atom *atom, std::vector< StereoGroup > &groups)
 
RDKIT_GRAPHMOL_EXPORT void RDKit::removeGroupsWithAtoms (const std::vector< Atom * > &atoms, std::vector< StereoGroup > &groups)
 

Detailed Description

Defines the class StereoGroup which stores relationships between the absolute configurations of atoms within a structure.

Definition in file StereoGroup.h.