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 <iostream>
#include <vector>

Go to the source code of this file.

Classes
class	RDKit::StereoGroup

Namespaces
namespace	RDKit
	Std stuff.

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

Functions
RDKIT_GRAPHMOL_EXPORT void	RDKit::removeAtomFromGroups (const Atom *atom, std::vector< StereoGroup > &groups)
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)
RDKIT_GRAPHMOL_EXPORT void	RDKit::assignStereoGroupIds (std::vector< StereoGroup > &groups)
RDKIT_GRAPHMOL_EXPORT void	RDKit::forwardStereoGroupIds (ROMol &mol)
RDKIT_GRAPHMOL_EXPORT std::ostream &	operator<< (std::ostream &target, const RDKit::StereoGroup &stg)
	allows StereoGroup objects to be dumped to streams

Detailed Description

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

Definition in file StereoGroup.h.

Function Documentation

operator<<()

RDKIT_GRAPHMOL_EXPORT std::ostream & operator<<	(	std::ostream &	target,
		const RDKit::StereoGroup &	stg )

allows StereoGroup objects to be dumped to streams