Chemical Data Processing Library C++ API - Version 1.1.1
|
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 |
Provides constants for the labeling of atoms in bonds matched by a RECAP fragmentation rule.
const unsigned int CDPL::Chem::RECAPAtomLabel::NONE = 0 |
const unsigned int CDPL::Chem::RECAPAtomLabel::AMIDE_N = 1 |
const unsigned int CDPL::Chem::RECAPAtomLabel::AMIDE_C = 2 |
const unsigned int CDPL::Chem::RECAPAtomLabel::ESTER_O = 3 |
const unsigned int CDPL::Chem::RECAPAtomLabel::ESTER_C = 4 |
const unsigned int CDPL::Chem::RECAPAtomLabel::AMINE_N = 5 |
const unsigned int CDPL::Chem::RECAPAtomLabel::AMINE_C = 6 |
const unsigned int CDPL::Chem::RECAPAtomLabel::UREA_N = 7 |
const unsigned int CDPL::Chem::RECAPAtomLabel::UREA_C = 8 |
const unsigned int CDPL::Chem::RECAPAtomLabel::ETHER_O = 9 |
const unsigned int CDPL::Chem::RECAPAtomLabel::ETHER_C = 10 |
const unsigned int CDPL::Chem::RECAPAtomLabel::OLEFIN_C = 11 |
const unsigned int CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_N = 12 |
const unsigned int CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_C = 13 |
const unsigned int CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_N = 14 |
const unsigned int CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_C = 15 |
const unsigned int CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_N = 16 |
const unsigned int CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_C = 17 |
const unsigned int CDPL::Chem::RECAPAtomLabel::AROMATIC_C_AROMATIC_C_C = 18 |
const unsigned int CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_N = 19 |
const unsigned int CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_S = 20 |