CDPL::Chem::BRICSRuleID Namespace Reference

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

Variables
const unsigned int	NONE = 0
const unsigned int	L1_L2 = 1
const unsigned int	L1_L3 = 2
const unsigned int	L1_L10 = 3
const unsigned int	L2_L12 = 4
const unsigned int	L2_L14 = 5
const unsigned int	L2_L16 = 6
const unsigned int	L3_L4 = 7
const unsigned int	L3_L13 = 8
const unsigned int	L3_L14 = 9
const unsigned int	L3_L15 = 10
const unsigned int	L3_L16 = 11
const unsigned int	L4_L5 = 12
const unsigned int	L4_L11 = 13
const unsigned int	L5_L13 = 14
const unsigned int	L5_L15 = 15
const unsigned int	L6_L13 = 16
const unsigned int	L6_L14 = 17
const unsigned int	L6_L15 = 18
const unsigned int	L6_L16 = 19
const unsigned int	L7_L7 = 20
const unsigned int	L8_L9 = 21
const unsigned int	L8_L10 = 22
const unsigned int	L8_L13 = 23
const unsigned int	L8_L14 = 24
const unsigned int	L8_L15 = 25
const unsigned int	L8_L16 = 26
const unsigned int	L9_L15 = 27
const unsigned int	L9_L16 = 28
const unsigned int	L10_L13 = 29
const unsigned int	L10_L14 = 30
const unsigned int	L10_L15 = 31
const unsigned int	L10_L16 = 32
const unsigned int	L11_L13 = 33
const unsigned int	L11_L14 = 34
const unsigned int	L11_L15 = 35
const unsigned int	L11_L16 = 36
const unsigned int	L13_L14 = 37
const unsigned int	L13_L15 = 38
const unsigned int	L13_L16 = 39
const unsigned int	L14_L15 = 40
const unsigned int	L14_L16 = 41
const unsigned int	L15_L16 = 42

Detailed Description

Provides constants for the identification of BRICS fragmentation rules.

See also

[BRICS]

Variable Documentation

NONE

const unsigned int CDPL::Chem::BRICSRuleID::NONE = 0

L1_L2

const unsigned int CDPL::Chem::BRICSRuleID::L1_L2 = 1

L1_L3

const unsigned int CDPL::Chem::BRICSRuleID::L1_L3 = 2

L1_L10

const unsigned int CDPL::Chem::BRICSRuleID::L1_L10 = 3

L2_L12

const unsigned int CDPL::Chem::BRICSRuleID::L2_L12 = 4

L2_L14

const unsigned int CDPL::Chem::BRICSRuleID::L2_L14 = 5

L2_L16

const unsigned int CDPL::Chem::BRICSRuleID::L2_L16 = 6

L3_L4

const unsigned int CDPL::Chem::BRICSRuleID::L3_L4 = 7

L3_L13

const unsigned int CDPL::Chem::BRICSRuleID::L3_L13 = 8

L3_L14

const unsigned int CDPL::Chem::BRICSRuleID::L3_L14 = 9

L3_L15

const unsigned int CDPL::Chem::BRICSRuleID::L3_L15 = 10

L3_L16

const unsigned int CDPL::Chem::BRICSRuleID::L3_L16 = 11

L4_L5

const unsigned int CDPL::Chem::BRICSRuleID::L4_L5 = 12

L4_L11

const unsigned int CDPL::Chem::BRICSRuleID::L4_L11 = 13

L5_L13

const unsigned int CDPL::Chem::BRICSRuleID::L5_L13 = 14

L5_L15

const unsigned int CDPL::Chem::BRICSRuleID::L5_L15 = 15

L6_L13

const unsigned int CDPL::Chem::BRICSRuleID::L6_L13 = 16

L6_L14

const unsigned int CDPL::Chem::BRICSRuleID::L6_L14 = 17

L6_L15

const unsigned int CDPL::Chem::BRICSRuleID::L6_L15 = 18

L6_L16

const unsigned int CDPL::Chem::BRICSRuleID::L6_L16 = 19

L7_L7

const unsigned int CDPL::Chem::BRICSRuleID::L7_L7 = 20

L8_L9

const unsigned int CDPL::Chem::BRICSRuleID::L8_L9 = 21

L8_L10

const unsigned int CDPL::Chem::BRICSRuleID::L8_L10 = 22

L8_L13

const unsigned int CDPL::Chem::BRICSRuleID::L8_L13 = 23

L8_L14

const unsigned int CDPL::Chem::BRICSRuleID::L8_L14 = 24

L8_L15

const unsigned int CDPL::Chem::BRICSRuleID::L8_L15 = 25

L8_L16

const unsigned int CDPL::Chem::BRICSRuleID::L8_L16 = 26

L9_L15

const unsigned int CDPL::Chem::BRICSRuleID::L9_L15 = 27

L9_L16

const unsigned int CDPL::Chem::BRICSRuleID::L9_L16 = 28

L10_L13

const unsigned int CDPL::Chem::BRICSRuleID::L10_L13 = 29

L10_L14

const unsigned int CDPL::Chem::BRICSRuleID::L10_L14 = 30

L10_L15

const unsigned int CDPL::Chem::BRICSRuleID::L10_L15 = 31

L10_L16

const unsigned int CDPL::Chem::BRICSRuleID::L10_L16 = 32

L11_L13

const unsigned int CDPL::Chem::BRICSRuleID::L11_L13 = 33

L11_L14

const unsigned int CDPL::Chem::BRICSRuleID::L11_L14 = 34

L11_L15

const unsigned int CDPL::Chem::BRICSRuleID::L11_L15 = 35

L11_L16

const unsigned int CDPL::Chem::BRICSRuleID::L11_L16 = 36

L13_L14

const unsigned int CDPL::Chem::BRICSRuleID::L13_L14 = 37

L13_L15

const unsigned int CDPL::Chem::BRICSRuleID::L13_L15 = 38

L13_L16

const unsigned int CDPL::Chem::BRICSRuleID::L13_L16 = 39

L14_L15

const unsigned int CDPL::Chem::BRICSRuleID::L14_L15 = 40

L14_L16

const unsigned int CDPL::Chem::BRICSRuleID::L14_L16 = 41

L15_L16

const unsigned int CDPL::Chem::BRICSRuleID::L15_L16 = 42