ReactionCenterStatus.hpp File Reference

Definition of constants in namespace CDPL::Chem::ReactionCenterStatus. More...

Go to the source code of this file.

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Chem::ReactionCenterStatus
	Provides flags that are used to describe state changes of atoms and bonds in a reaction center.

Variables
const unsigned int	CDPL::Chem::ReactionCenterStatus::NONE = 0
	Specifies that the atom or bond is not part of the reaction center. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::NO_CENTER = 0x1
	Specifies for bonds in a reaction substructure search query that matching target bonds must not be part of a reaction center. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::IS_CENTER = 0x2
	Specifies that the bond is part of the reaction center. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::BOND_MADE = 0x4
	Specifies that the bond is made by the reaction. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::BOND_BROKEN = 0x8
	Specifies that the bond is broken by the reaction. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::BOND_ORDER_CHANGE = 0x10
	Specifies that the bond order is changed by the reaction. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::NO_CHANGE = 0x20
	Specifies that the bond is left unaltered by the reaction. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::STEREO_INVERSION = 0x40
	Specifies that the configuration of the atom is inverted by the reaction. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::STEREO_RETENTION = 0x80
	Specifies that the configuration of the atom is retained in the reaction. More...
const unsigned int	CDPL::Chem::ReactionCenterStatus::EXACT_CHANGE = 0x80
	Specifies that the change of the atom is exactly as specified. More...

Detailed Description

Definition of constants in namespace CDPL::Chem::ReactionCenterStatus.