CDPL.Chem.ReactionCenterStatus Class Reference

Provides flags that are used to describe state changes of atoms and bonds in a reaction center. More...

Inheritance diagram for CDPL.Chem.ReactionCenterStatus:

Static Public Attributes
int	NONE = 0
	Specifies that the atom or bond is not part of the reaction center.
int	BOND_BROKEN = 8
	Specifies that the bond is broken by the reaction.
int	BOND_MADE = 4
	Specifies that the bond is made by the reaction.
int	BOND_ORDER_CHANGE = 16
	Specifies that the bond order is changed by the reaction.
int	EXACT_CHANGE = 128
	Specifies that the change of the atom is exactly as specified.
int	IS_CENTER = 2
	Specifies that the bond is part of the reaction center.
int	NO_CENTER = 1
	Specifies for bonds in a reaction substructure search query that matching target bonds must not be part of a reaction center.
int	NO_CHANGE = 32
	Specifies that the bond is left unaltered by the reaction.
int	STEREO_INVERSION = 64
	Specifies that the configuration of the atom is inverted by the reaction.
int	STEREO_RETENTION = 128
	Specifies that the configuration of the atom is retained in the reaction.

Detailed Description

Provides flags that are used to describe state changes of atoms and bonds in a reaction center.

Note

The flags ReactionCenterStatus.IS_CENTER, ReactionCenterStatus.BOND_MADE, ReactionCenterStatus.BOND_BROKEN, and ReactionCenterStatus.BOND_ORDER_CHANGE may be combined by bitwise OR operations to obtain a composite reaction center state.