CDPL::Chem::BRICSRuleID Namespace Reference

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

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

Detailed Description

Provides constants for the identification of BRICS fragmentation rules.

See also

[BRICS]

Variable Documentation

NONE

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

constexpr

L1_L2

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

constexpr

L1_L3

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

constexpr

L1_L10

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

constexpr

L2_L12

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

constexpr

L2_L14

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

constexpr

L2_L16

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

constexpr

L3_L4

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

constexpr

L3_L13

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

constexpr

L3_L14

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

constexpr

L3_L15

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

constexpr

L3_L16

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

constexpr

L4_L5

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

constexpr

L4_L11

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

constexpr

L5_L13

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

constexpr

L5_L15

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

constexpr

L6_L13

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

constexpr

L6_L14

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

constexpr

L6_L15

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

constexpr

L6_L16

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

constexpr

L7_L7

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

constexpr

L8_L9

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

constexpr

L8_L10

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

constexpr

L8_L13

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

constexpr

L8_L14

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

constexpr

L8_L15

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

constexpr

L8_L16

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

constexpr

L9_L15

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

constexpr

L9_L16

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

constexpr

L10_L13

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

constexpr

L10_L14

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

constexpr

L10_L15

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

constexpr

L10_L16

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

constexpr

L11_L13

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

constexpr

L11_L14

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

constexpr

L11_L15

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

constexpr

L11_L16

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

constexpr

L13_L14

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

constexpr

L13_L15

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

constexpr

L13_L16

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

constexpr

L14_L15

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

constexpr

L14_L16

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

constexpr

L15_L16

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

constexpr