CDPL::Chem::RECAPAtomLabel Namespace Reference

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

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

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

constexpr

AMIDE_N

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

constexpr

AMIDE_C

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

constexpr

ESTER_O

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

constexpr

ESTER_C

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

constexpr

AMINE_N

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

constexpr

AMINE_C

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

constexpr

UREA_N

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

constexpr

UREA_C

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

constexpr

ETHER_O

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

constexpr

ETHER_C

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

constexpr

OLEFIN_C

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

constexpr

QUARTERNARY_N_N

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

constexpr

QUARTERNARY_N_C

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

constexpr

AROMATIC_N_ALIPHATIC_C_N

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

constexpr

AROMATIC_N_ALIPHATIC_C_C

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

constexpr

LACTAM_N_ALIPHATIC_C_N

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

constexpr

LACTAM_N_ALIPHATIC_C_C

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

constexpr

AROMATIC_C_AROMATIC_C_C

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

constexpr

SULFONAMIDE_N

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

constexpr

SULFONAMIDE_S

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

constexpr