CDPL.Chem.RECAPAtomLabel Class Reference

Provides constants for labeling the endpoints of bonds matched by RECAP fragmentation rules. More...

Inheritance diagram for CDPL.Chem.RECAPAtomLabel:

Static Public Attributes
int	NONE = 0
	Specifies that the atom carries no label.
int	AMIDE_N = 1
	Specifies the nitrogen side of an amide bond.
int	AMIDE_C = 2
	Specifies the carbon side of an amide bond.
int	ESTER_O = 3
	Specifies the oxygen side of an ester bond.
int	ESTER_C = 4
	Specifies the carbon side of an ester bond.
int	AMINE_N = 5
	Specifies the nitrogen side of an amine bond.
int	AMINE_C = 6
	Specifies the carbon side of an amine bond.
int	UREA_N = 7
	Specifies the nitrogen side of a urea bond.
int	UREA_C = 8
	Specifies the carbon side of a urea bond.
int	ETHER_O = 9
	Specifies the oxygen side of an ether bond.
int	ETHER_C = 10
	Specifies the carbon side of an ether bond.
int	OLEFIN_C = 11
	Specifies a carbon side of an olefinic bond.
int	QUATERNARY_N_N = 12
	Specifies the nitrogen side of a quaternary amine bond.
int	QUATERNARY_N_C = 13
	Specifies the carbon side of a quaternary amine bond.
int	AROMATIC_N_ALIPHATIC_C_N = 14
	Specifies the nitrogen side of an aromatic nitrogen to aliphatic carbon bond.
int	AROMATIC_N_ALIPHATIC_C_C = 15
	Specifies the carbon side of an aromatic nitrogen to aliphatic carbon bond.
int	LACTAM_N_ALIPHATIC_C_N = 16
	Specifies the nitrogen side of a lactam bond.
int	LACTAM_N_ALIPHATIC_C_C = 17
	Specifies the carbon side of a lactam bond.
int	AROMATIC_C_AROMATIC_C_C = 18
	Specifies an atom of an aromatic carbon-carbon bond.
int	SULFONAMIDE_N = 19
	Specifies the nitrogen side of a sulfonamide bond.
int	SULFONAMIDE_S = 20
	Specifies the sulfur side of a sulfonamide bond.

Detailed Description

Provides constants for labeling the endpoints of bonds matched by RECAP fragmentation rules.

See also

[RECAP]