CDPL.Chem.BRICSRuleID Class Reference

Provides constants for the identification of BRICS fragmentation rules. More...

Inheritance diagram for CDPL.Chem.BRICSRuleID:

Static Public Attributes
int	NONE = 0
	Specifies that no rule applies.
int	L1_L2 = 1
	Specifies the rule cleaving the bond between atom class L1 and L2.
int	L1_L3 = 2
	Specifies the rule cleaving the bond between atom class L1 and L3.
int	L1_L10 = 3
	Specifies the rule cleaving the bond between atom class L1 and L10.
int	L2_L12 = 4
	Specifies the rule cleaving the bond between atom class L2 and L12.
int	L2_L14 = 5
	Specifies the rule cleaving the bond between atom class L2 and L14.
int	L2_L16 = 6
	Specifies the rule cleaving the bond between atom class L2 and L16.
int	L3_L4 = 7
	Specifies the rule cleaving the bond between atom class L3 and L4.
int	L3_L13 = 8
	Specifies the rule cleaving the bond between atom class L3 and L13.
int	L3_L14 = 9
	Specifies the rule cleaving the bond between atom class L3 and L14.
int	L3_L15 = 10
	Specifies the rule cleaving the bond between atom class L3 and L15.
int	L3_L16 = 11
	Specifies the rule cleaving the bond between atom class L3 and L16.
int	L4_L5 = 12
	Specifies the rule cleaving the bond between atom class L4 and L5.
int	L4_L11 = 13
	Specifies the rule cleaving the bond between atom class L4 and L11.
int	L5_L13 = 14
	Specifies the rule cleaving the bond between atom class L5 and L13.
int	L5_L15 = 15
	Specifies the rule cleaving the bond between atom class L5 and L15.
int	L6_L13 = 16
	Specifies the rule cleaving the bond between atom class L6 and L13.
int	L6_L14 = 17
	Specifies the rule cleaving the bond between atom class L6 and L14.
int	L6_L15 = 18
	Specifies the rule cleaving the bond between atom class L6 and L15.
int	L6_L16 = 19
	Specifies the rule cleaving the bond between atom class L6 and L16.
int	L7_L7 = 20
	Specifies the rule cleaving the bond between two atoms of class L7.
int	L8_L9 = 21
	Specifies the rule cleaving the bond between atom class L8 and L9.
int	L8_L10 = 22
	Specifies the rule cleaving the bond between atom class L8 and L10.
int	L8_L13 = 23
	Specifies the rule cleaving the bond between atom class L8 and L13.
int	L8_L14 = 24
	Specifies the rule cleaving the bond between atom class L8 and L14.
int	L8_L15 = 25
	Specifies the rule cleaving the bond between atom class L8 and L15.
int	L8_L16 = 26
	Specifies the rule cleaving the bond between atom class L8 and L16.
int	L9_L15 = 27
	Specifies the rule cleaving the bond between atom class L9 and L15.
int	L9_L16 = 28
	Specifies the rule cleaving the bond between atom class L9 and L16.
int	L10_L13 = 29
	Specifies the rule cleaving the bond between atom class L10 and L13.
int	L10_L14 = 30
	Specifies the rule cleaving the bond between atom class L10 and L14.
int	L10_L15 = 31
	Specifies the rule cleaving the bond between atom class L10 and L15.
int	L10_L16 = 32
	Specifies the rule cleaving the bond between atom class L10 and L16.
int	L11_L13 = 33
	Specifies the rule cleaving the bond between atom class L11 and L13.
int	L11_L14 = 34
	Specifies the rule cleaving the bond between atom class L11 and L14.
int	L11_L15 = 35
	Specifies the rule cleaving the bond between atom class L11 and L15.
int	L11_L16 = 36
	Specifies the rule cleaving the bond between atom class L11 and L16.
int	L13_L14 = 37
	Specifies the rule cleaving the bond between atom class L13 and L14.
int	L13_L15 = 38
	Specifies the rule cleaving the bond between atom class L13 and L15.
int	L13_L16 = 39
	Specifies the rule cleaving the bond between atom class L13 and L16.
int	L14_L15 = 40
	Specifies the rule cleaving the bond between atom class L14 and L15.
int	L14_L16 = 41
	Specifies the rule cleaving the bond between atom class L14 and L16.
int	L15_L16 = 42
	Specifies the rule cleaving the bond between atom class L15 and L16.

Detailed Description

Provides constants for the identification of BRICS fragmentation rules.

See also

[BRICS]