Chemical Data Processing Library C++ API - Version 1.1.1
Variables
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