RECAPAtomLabel.hpp File Reference

Definition of constants in namespace CDPL::Chem::RECAPAtomLabel. More...

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Chem::RECAPAtomLabel
	Provides constants for the labeling of atoms in bonds matched by a RECAP fragmentation rule.

Variables
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::NONE = 0
	Specifies that the atom carries no RECAP label. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMIDE_N = 1
	Specifies the nitrogen side of an amide bond cleaved by the RECAP AMIDE rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMIDE_C = 2
	Specifies the carbon side of an amide bond cleaved by the RECAP AMIDE rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ESTER_O = 3
	Specifies the oxygen side of an ester bond cleaved by the RECAP ESTER rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ESTER_C = 4
	Specifies the carbon side of an ester bond cleaved by the RECAP ESTER rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMINE_N = 5
	Specifies the nitrogen side of an amine bond cleaved by the RECAP AMINE rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMINE_C = 6
	Specifies the carbon side of an amine bond cleaved by the RECAP AMINE rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::UREA_N = 7
	Specifies the nitrogen side of a urea bond cleaved by the RECAP UREA rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::UREA_C = 8
	Specifies the carbon side of a urea bond cleaved by the RECAP UREA rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ETHER_O = 9
	Specifies the oxygen side of an ether bond cleaved by the RECAP ETHER rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ETHER_C = 10
	Specifies the carbon side of an ether bond cleaved by the RECAP ETHER rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::OLEFIN_C = 11
	Specifies a carbon side of an olefinic bond cleaved by the RECAP OLEFIN rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_N = 12
	Specifies the quaternary-nitrogen side of a bond cleaved by the RECAP QUARTERNARY_N rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_C = 13
	Specifies the carbon side of a bond cleaved by the RECAP QUARTERNARY_N rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_N = 14
	Specifies the aromatic-N side of a bond cleaved by the RECAP AROMATIC_N_ALIPHATIC_C rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_C = 15
	Specifies the aliphatic-C side of a bond cleaved by the RECAP AROMATIC_N_ALIPHATIC_C rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_N = 16
	Specifies the lactam-N side of a bond cleaved by the RECAP LACTAM_N_ALIPHATIC_C rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_C = 17
	Specifies the aliphatic-C side of a bond cleaved by the RECAP LACTAM_N_ALIPHATIC_C rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AROMATIC_C_AROMATIC_C_C = 18
	Specifies an aromatic-C side of a biaryl bond cleaved by the RECAP AROMATIC_C_AROMATIC_C rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_N = 19
	Specifies the nitrogen side of a sulfonamide bond cleaved by the RECAP SULFONAMIDE rule. More...
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_S = 20
	Specifies the sulfur side of a sulfonamide bond cleaved by the RECAP SULFONAMIDE rule. More...

Detailed Description

Definition of constants in namespace CDPL::Chem::RECAPAtomLabel.