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
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMIDE_N = 1
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMIDE_C = 2
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ESTER_O = 3
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ESTER_C = 4
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMINE_N = 5
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AMINE_C = 6
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::UREA_N = 7
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::UREA_C = 8
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ETHER_O = 9
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::ETHER_C = 10
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::OLEFIN_C = 11
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_N = 12
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_C = 13
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_N = 14
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_C = 15
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_N = 16
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_C = 17
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::AROMATIC_C_AROMATIC_C_C = 18
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_N = 19
constexpr unsigned int	CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_S = 20

Detailed Description

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