Chemical Data Processing Library C++ API - Version 1.1.1
|
Definition of constants in namespace CDPL::ConfGen::ForceFieldType. More...
Go to the source code of this file.
Namespaces | |
CDPL | |
The namespace of the Chemical Data Processing Library. | |
CDPL::ConfGen | |
Contains classes and functions related to conformer ensemble generation. | |
CDPL::ConfGen::ForceFieldType | |
Provides constants that are used to specify the forcefield that shall be used for 3D coordinates refinement and energy calculations. | |
Variables | |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94 = 0 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94_NO_ESTAT = 1 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S = 2 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S_NO_ESTAT = 3 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S_XOOP = 4 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S_XOOP_NO_ESTAT = 5 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S_RTOR = 6 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S_RTOR_NO_ESTAT = 7 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S_RTOR_XOOP = 8 |
const unsigned int | CDPL::ConfGen::ForceFieldType::MMFF94S_RTOR_XOOP_NO_ESTAT = 9 |
Definition of constants in namespace CDPL::ConfGen::ForceFieldType.