CDPL::Chem::RECAPRuleID Namespace Reference

Provides constants for the identification of RECAP fragmentation rules. More...

Variables
constexpr unsigned int	NONE = 0
constexpr unsigned int	AMIDE = 1
constexpr unsigned int	ESTER = 2
constexpr unsigned int	AMINE = 3
constexpr unsigned int	UREA = 4
constexpr unsigned int	ETHER = 5
constexpr unsigned int	OLEFIN = 6
constexpr unsigned int	QUARTERNARY_N = 7
constexpr unsigned int	AROMATIC_N_ALIPHATIC_C = 8
constexpr unsigned int	LACTAM_N_ALIPHATIC_C = 9
constexpr unsigned int	AROMATIC_C_AROMATIC_C = 10
constexpr unsigned int	SULFONAMIDE = 11

Detailed Description

Provides constants for the identification of RECAP fragmentation rules.

See also

[RECAP]

Variable Documentation

NONE

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

constexpr

AMIDE

constexpr unsigned int CDPL::Chem::RECAPRuleID::AMIDE = 1

constexpr

ESTER

constexpr unsigned int CDPL::Chem::RECAPRuleID::ESTER = 2

constexpr

AMINE

constexpr unsigned int CDPL::Chem::RECAPRuleID::AMINE = 3

constexpr

UREA

constexpr unsigned int CDPL::Chem::RECAPRuleID::UREA = 4

constexpr

ETHER

constexpr unsigned int CDPL::Chem::RECAPRuleID::ETHER = 5

constexpr

OLEFIN

constexpr unsigned int CDPL::Chem::RECAPRuleID::OLEFIN = 6

constexpr

QUARTERNARY_N

constexpr unsigned int CDPL::Chem::RECAPRuleID::QUARTERNARY_N = 7

constexpr

AROMATIC_N_ALIPHATIC_C

constexpr unsigned int CDPL::Chem::RECAPRuleID::AROMATIC_N_ALIPHATIC_C = 8

constexpr

LACTAM_N_ALIPHATIC_C

constexpr unsigned int CDPL::Chem::RECAPRuleID::LACTAM_N_ALIPHATIC_C = 9

constexpr

AROMATIC_C_AROMATIC_C

constexpr unsigned int CDPL::Chem::RECAPRuleID::AROMATIC_C_AROMATIC_C = 10

constexpr

SULFONAMIDE

constexpr unsigned int CDPL::Chem::RECAPRuleID::SULFONAMIDE = 11

constexpr