BRICSRuleID.hpp File Reference

Definition of constants in namespace CDPL::Chem::BRICSRuleID. 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::BRICSRuleID
	Provides constants for the identification of BRICS fragmentation rules.

Variables
constexpr unsigned int	CDPL::Chem::BRICSRuleID::NONE = 0
	No BRICS rule applies. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L1_L2 = 1
	BRICS rule cleaving the bond between atom-class L1 and L2 (C-C between sp3 carbons). More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L1_L3 = 2
	BRICS rule cleaving the bond between atom-class L1 and L3 (sp3 C - N). More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L1_L10 = 3
	BRICS rule cleaving the bond between atom-class L1 and L10. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L2_L12 = 4
	BRICS rule cleaving the bond between atom-class L2 and L12. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L2_L14 = 5
	BRICS rule cleaving the bond between atom-class L2 and L14. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L2_L16 = 6
	BRICS rule cleaving the bond between atom-class L2 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L3_L4 = 7
	BRICS rule cleaving the bond between atom-class L3 and L4. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L3_L13 = 8
	BRICS rule cleaving the bond between atom-class L3 and L13. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L3_L14 = 9
	BRICS rule cleaving the bond between atom-class L3 and L14. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L3_L15 = 10
	BRICS rule cleaving the bond between atom-class L3 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L3_L16 = 11
	BRICS rule cleaving the bond between atom-class L3 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L4_L5 = 12
	BRICS rule cleaving the bond between atom-class L4 and L5. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L4_L11 = 13
	BRICS rule cleaving the bond between atom-class L4 and L11. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L5_L13 = 14
	BRICS rule cleaving the bond between atom-class L5 and L13. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L5_L15 = 15
	BRICS rule cleaving the bond between atom-class L5 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L6_L13 = 16
	BRICS rule cleaving the bond between atom-class L6 and L13. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L6_L14 = 17
	BRICS rule cleaving the bond between atom-class L6 and L14. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L6_L15 = 18
	BRICS rule cleaving the bond between atom-class L6 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L6_L16 = 19
	BRICS rule cleaving the bond between atom-class L6 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L7_L7 = 20
	BRICS rule cleaving the bond between two atoms of atom-class L7. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L8_L9 = 21
	BRICS rule cleaving the bond between atom-class L8 and L9. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L8_L10 = 22
	BRICS rule cleaving the bond between atom-class L8 and L10. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L8_L13 = 23
	BRICS rule cleaving the bond between atom-class L8 and L13. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L8_L14 = 24
	BRICS rule cleaving the bond between atom-class L8 and L14. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L8_L15 = 25
	BRICS rule cleaving the bond between atom-class L8 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L8_L16 = 26
	BRICS rule cleaving the bond between atom-class L8 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L9_L15 = 27
	BRICS rule cleaving the bond between atom-class L9 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L9_L16 = 28
	BRICS rule cleaving the bond between atom-class L9 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L10_L13 = 29
	BRICS rule cleaving the bond between atom-class L10 and L13. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L10_L14 = 30
	BRICS rule cleaving the bond between atom-class L10 and L14. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L10_L15 = 31
	BRICS rule cleaving the bond between atom-class L10 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L10_L16 = 32
	BRICS rule cleaving the bond between atom-class L10 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L11_L13 = 33
	BRICS rule cleaving the bond between atom-class L11 and L13. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L11_L14 = 34
	BRICS rule cleaving the bond between atom-class L11 and L14. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L11_L15 = 35
	BRICS rule cleaving the bond between atom-class L11 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L11_L16 = 36
	BRICS rule cleaving the bond between atom-class L11 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L13_L14 = 37
	BRICS rule cleaving the bond between atom-class L13 and L14. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L13_L15 = 38
	BRICS rule cleaving the bond between atom-class L13 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L13_L16 = 39
	BRICS rule cleaving the bond between atom-class L13 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L14_L15 = 40
	BRICS rule cleaving the bond between atom-class L14 and L15. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L14_L16 = 41
	BRICS rule cleaving the bond between atom-class L14 and L16. More...
constexpr unsigned int	CDPL::Chem::BRICSRuleID::L15_L16 = 42
	BRICS rule cleaving the bond between atom-class L15 and L16. More...

Detailed Description

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