CDPL::Chem::RECAPAtomLabel Namespace Reference

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

Variables
const unsigned int	NONE = 0
const unsigned int	AMIDE_N = 1
const unsigned int	AMIDE_C = 2
const unsigned int	ESTER_O = 3
const unsigned int	ESTER_C = 4
const unsigned int	AMINE_N = 5
const unsigned int	AMINE_C = 6
const unsigned int	UREA_N = 7
const unsigned int	UREA_C = 8
const unsigned int	ETHER_O = 9
const unsigned int	ETHER_C = 10
const unsigned int	OLEFIN_C = 11
const unsigned int	QUARTERNARY_N_N = 12
const unsigned int	QUARTERNARY_N_C = 13
const unsigned int	AROMATIC_N_ALIPHATIC_C_N = 14
const unsigned int	AROMATIC_N_ALIPHATIC_C_C = 15
const unsigned int	LACTAM_N_ALIPHATIC_C_N = 16
const unsigned int	LACTAM_N_ALIPHATIC_C_C = 17
const unsigned int	AROMATIC_C_AROMATIC_C_C = 18
const unsigned int	SULFONAMIDE_N = 19
const unsigned int	SULFONAMIDE_S = 20

Detailed Description

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

See also

[RECAP]

Variable Documentation

NONE

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

AMIDE_N

const unsigned int CDPL::Chem::RECAPAtomLabel::AMIDE_N = 1

AMIDE_C

const unsigned int CDPL::Chem::RECAPAtomLabel::AMIDE_C = 2

ESTER_O

const unsigned int CDPL::Chem::RECAPAtomLabel::ESTER_O = 3

ESTER_C

const unsigned int CDPL::Chem::RECAPAtomLabel::ESTER_C = 4

AMINE_N

const unsigned int CDPL::Chem::RECAPAtomLabel::AMINE_N = 5

AMINE_C

const unsigned int CDPL::Chem::RECAPAtomLabel::AMINE_C = 6

UREA_N

const unsigned int CDPL::Chem::RECAPAtomLabel::UREA_N = 7

UREA_C

const unsigned int CDPL::Chem::RECAPAtomLabel::UREA_C = 8

ETHER_O

const unsigned int CDPL::Chem::RECAPAtomLabel::ETHER_O = 9

ETHER_C

const unsigned int CDPL::Chem::RECAPAtomLabel::ETHER_C = 10

OLEFIN_C

const unsigned int CDPL::Chem::RECAPAtomLabel::OLEFIN_C = 11

QUARTERNARY_N_N

const unsigned int CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_N = 12

QUARTERNARY_N_C

const unsigned int CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_C = 13

AROMATIC_N_ALIPHATIC_C_N

const unsigned int CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_N = 14

AROMATIC_N_ALIPHATIC_C_C

const unsigned int CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_C = 15

LACTAM_N_ALIPHATIC_C_N

const unsigned int CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_N = 16

LACTAM_N_ALIPHATIC_C_C

const unsigned int CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_C = 17

AROMATIC_C_AROMATIC_C_C

const unsigned int CDPL::Chem::RECAPAtomLabel::AROMATIC_C_AROMATIC_C_C = 18

SULFONAMIDE_N

const unsigned int CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_N = 19

SULFONAMIDE_S

const unsigned int CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_S = 20