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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_MOL2CHARGETYPE_HPP
30 #define CDPL_CHEM_MOL2CHARGETYPE_HPP
42 namespace MOL2ChargeType
55 const unsigned int DICT = 10;
57 const unsigned int USER = 12;
62 #endif // CDPL_CHEM_MOL2CHARGETYPE_HPP
const unsigned int MMFF94
Definition: MOL2ChargeType.hpp:56
const unsigned int DEL_RE
Definition: MOL2ChargeType.hpp:47
const unsigned int GASTEIGER
Definition: MOL2ChargeType.hpp:48
const unsigned int MULLIKEN
Definition: MOL2ChargeType.hpp:54
const unsigned int AMPAC
Definition: MOL2ChargeType.hpp:53
const unsigned int GAUSS80
Definition: MOL2ChargeType.hpp:52
const unsigned int NO_CHARGES
Definition: MOL2ChargeType.hpp:46
const unsigned int DICT
Definition: MOL2ChargeType.hpp:55
const unsigned int UNKNOWN
Definition: MOL2ChargeType.hpp:45
const unsigned int PULLMAN
Definition: MOL2ChargeType.hpp:51
const unsigned int USER
Definition: MOL2ChargeType.hpp:57
The namespace of the Chemical Data Processing Library.
const unsigned int HUCKEL
Definition: MOL2ChargeType.hpp:50
const unsigned int GAST_HUCK
Definition: MOL2ChargeType.hpp:49