CDPL::Chem::RECAPRuleID Namespace Reference

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

Variables
constexpr unsigned int	NONE = 0
	Specifies that no RECAP rule matched the bond. More...
constexpr unsigned int	AMIDE = 1
	Specifies the RECAP rule for amide bond cleavage. More...
constexpr unsigned int	ESTER = 2
	Specifies the RECAP rule for ester bond cleavage. More...
constexpr unsigned int	AMINE = 3
	Specifies the RECAP rule for amine bond cleavage. More...
constexpr unsigned int	UREA = 4
	Specifies the RECAP rule for urea bond cleavage. More...
constexpr unsigned int	ETHER = 5
	Specifies the RECAP rule for ether bond cleavage. More...
constexpr unsigned int	OLEFIN = 6
	Specifies the RECAP rule for olefinic-bond cleavage. More...
constexpr unsigned int	QUARTERNARY_N = 7
	Specifies the RECAP rule for quaternary-nitrogen bond cleavage. More...
constexpr unsigned int	AROMATIC_N_ALIPHATIC_C = 8
	Specifies the RECAP rule for aromatic-N to aliphatic-C bond cleavage. More...
constexpr unsigned int	LACTAM_N_ALIPHATIC_C = 9
	Specifies the RECAP rule for lactam-N to aliphatic-C bond cleavage. More...
constexpr unsigned int	AROMATIC_C_AROMATIC_C = 10
	Specifies the RECAP rule for aromatic-C to aromatic-C bond cleavage (biaryl). More...
constexpr unsigned int	SULFONAMIDE = 11
	Specifies the RECAP rule for sulfonamide bond cleavage. More...

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

Specifies that no RECAP rule matched the bond.

AMIDE

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

constexpr

Specifies the RECAP rule for amide bond cleavage.

ESTER

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

constexpr

Specifies the RECAP rule for ester bond cleavage.

AMINE

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

constexpr

Specifies the RECAP rule for amine bond cleavage.

UREA

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

constexpr

Specifies the RECAP rule for urea bond cleavage.

ETHER

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

constexpr

Specifies the RECAP rule for ether bond cleavage.

OLEFIN

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

constexpr

Specifies the RECAP rule for olefinic-bond cleavage.

QUARTERNARY_N

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

constexpr

Specifies the RECAP rule for quaternary-nitrogen bond cleavage.

AROMATIC_N_ALIPHATIC_C

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

constexpr

Specifies the RECAP rule for aromatic-N to aliphatic-C bond cleavage.

LACTAM_N_ALIPHATIC_C

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

constexpr

Specifies the RECAP rule for lactam-N to aliphatic-C bond cleavage.

AROMATIC_C_AROMATIC_C

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

constexpr

Specifies the RECAP rule for aromatic-C to aromatic-C bond cleavage (biaryl).

SULFONAMIDE

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

constexpr

Specifies the RECAP rule for sulfonamide bond cleavage.