CDPL::Chem::BRICSAtomLabel Namespace Reference

Provides constants for the labeling of atoms in bonds matched by a BRICS fragmentation rule. More...

Variables
const unsigned int	NONE = 0
const unsigned int	L1 = 1
const unsigned int	L2 = 2
const unsigned int	L3 = 3
const unsigned int	L4 = 4
const unsigned int	L5 = 5
const unsigned int	L6 = 6
const unsigned int	L7 = 7
const unsigned int	L8 = 8
const unsigned int	L9 = 9
const unsigned int	L10 = 10
const unsigned int	L11 = 11
const unsigned int	L12 = 12
const unsigned int	L13 = 13
const unsigned int	L14 = 14
const unsigned int	L15 = 15
const unsigned int	L16 = 16

Detailed Description

Provides constants for the labeling of atoms in bonds matched by a BRICS fragmentation rule.

See also

[BRICS]

Variable Documentation

NONE

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

L1

const unsigned int CDPL::Chem::BRICSAtomLabel::L1 = 1

L2

const unsigned int CDPL::Chem::BRICSAtomLabel::L2 = 2

L3

const unsigned int CDPL::Chem::BRICSAtomLabel::L3 = 3

L4

const unsigned int CDPL::Chem::BRICSAtomLabel::L4 = 4

L5

const unsigned int CDPL::Chem::BRICSAtomLabel::L5 = 5

L6

const unsigned int CDPL::Chem::BRICSAtomLabel::L6 = 6

L7

const unsigned int CDPL::Chem::BRICSAtomLabel::L7 = 7

L8

const unsigned int CDPL::Chem::BRICSAtomLabel::L8 = 8

L9

const unsigned int CDPL::Chem::BRICSAtomLabel::L9 = 9

L10

const unsigned int CDPL::Chem::BRICSAtomLabel::L10 = 10

L11

const unsigned int CDPL::Chem::BRICSAtomLabel::L11 = 11

L12

const unsigned int CDPL::Chem::BRICSAtomLabel::L12 = 12

L13

const unsigned int CDPL::Chem::BRICSAtomLabel::L13 = 13

L14

const unsigned int CDPL::Chem::BRICSAtomLabel::L14 = 14

L15

const unsigned int CDPL::Chem::BRICSAtomLabel::L15 = 15

L16

const unsigned int CDPL::Chem::BRICSAtomLabel::L16 = 16