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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_CIPDESCRIPTOR_HPP
30 #define CDPL_CHEM_CIPDESCRIPTOR_HPP
44 namespace CIPDescriptor
56 const unsigned int NONE = 1;
61 const unsigned int NS = 2;
66 const unsigned int R = 3;
71 const unsigned int S = 4;
76 const unsigned int r = 5;
81 const unsigned int s = 6;
96 const unsigned int E = 9;
101 const unsigned int Z = 10;
106 const unsigned int M = 11;
111 const unsigned int P = 12;
116 const unsigned int m = 13;
121 const unsigned int p = 14;
126 #endif // CDPL_CHEM_CIPDESCRIPTOR_HPP
const unsigned int UNDEF
Specifies that the configuration of the stereocenter (if any) is completely undefined.
Definition: CIPDescriptor.hpp:50
const unsigned int NONE
Specifies that the atom/bond is not a stereogenic center and thus cannot be assigned a configuration.
Definition: CIPDescriptor.hpp:56
const unsigned int p
Specifies that the stereocenter has p configuration.
Definition: CIPDescriptor.hpp:121
const unsigned int S
Specifies that the stereocenter has S configuration.
Definition: CIPDescriptor.hpp:71
const unsigned int E
Specifies that the stereocenter has E configuration.
Definition: CIPDescriptor.hpp:96
const unsigned int NS
Specifies that the atom/bond is a stereogenic center but has no specified configuration.
Definition: CIPDescriptor.hpp:61
const unsigned int M
Specifies that the stereocenter has M configuration.
Definition: CIPDescriptor.hpp:106
const unsigned int seqCis
Specifies that the stereocenter has seqCis configuration.
Definition: CIPDescriptor.hpp:91
const unsigned int R
Specifies that the stereocenter has R configuration.
Definition: CIPDescriptor.hpp:66
const unsigned int m
Specifies that the stereocenter has m configuration.
Definition: CIPDescriptor.hpp:116
const unsigned int s
Specifies that the stereocenter has s configuration.
Definition: CIPDescriptor.hpp:81
const unsigned int r
Specifies that the stereocenter has r configuration.
Definition: CIPDescriptor.hpp:76
The namespace of the Chemical Data Processing Library.
const unsigned int seqTrans
Specifies that the stereocenter has seqTrans configuration.
Definition: CIPDescriptor.hpp:86
const unsigned int Z
Specifies that the stereocenter has Z configuration.
Definition: CIPDescriptor.hpp:101
const unsigned int P
Specifies that the stereocenter has P configuration.
Definition: CIPDescriptor.hpp:111