Chemical Data Processing Library C++ API - Version 1.1.1
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Provides constants for the specification of the atom charge type in Tripos MOL2 files. More...
Variables | |
const unsigned int | UNKNOWN = 0 |
const unsigned int | NO_CHARGES = 1 |
const unsigned int | DEL_RE = 2 |
const unsigned int | GASTEIGER = 3 |
const unsigned int | GAST_HUCK = 4 |
const unsigned int | HUCKEL = 5 |
const unsigned int | PULLMAN = 6 |
const unsigned int | GAUSS80 = 7 |
const unsigned int | AMPAC = 8 |
const unsigned int | MULLIKEN = 9 |
const unsigned int | DICT = 10 |
const unsigned int | MMFF94 = 11 |
const unsigned int | USER = 12 |
Provides constants for the specification of the atom charge type in Tripos MOL2 files.
const unsigned int CDPL::Chem::MOL2ChargeType::UNKNOWN = 0 |
const unsigned int CDPL::Chem::MOL2ChargeType::NO_CHARGES = 1 |
const unsigned int CDPL::Chem::MOL2ChargeType::DEL_RE = 2 |
const unsigned int CDPL::Chem::MOL2ChargeType::GASTEIGER = 3 |
const unsigned int CDPL::Chem::MOL2ChargeType::GAST_HUCK = 4 |
const unsigned int CDPL::Chem::MOL2ChargeType::HUCKEL = 5 |
const unsigned int CDPL::Chem::MOL2ChargeType::PULLMAN = 6 |
const unsigned int CDPL::Chem::MOL2ChargeType::GAUSS80 = 7 |
const unsigned int CDPL::Chem::MOL2ChargeType::AMPAC = 8 |
const unsigned int CDPL::Chem::MOL2ChargeType::MULLIKEN = 9 |
const unsigned int CDPL::Chem::MOL2ChargeType::DICT = 10 |
const unsigned int CDPL::Chem::MOL2ChargeType::MMFF94 = 11 |
const unsigned int CDPL::Chem::MOL2ChargeType::USER = 12 |