Chemical Data Processing Library C++ API - Version 1.1.1
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Provides flags for the specification of the MMFF94 parameter set to use. More...
Variables | |
const unsigned int | DYNAMIC = 0 |
const unsigned int | STATIC = 1 |
const unsigned int | STATIC_XOOP = 2 |
const unsigned int | STATIC_RTOR = 3 |
const unsigned int | STATIC_RTOR_XOOP = 4 |
Provides flags for the specification of the MMFF94 parameter set to use.
const unsigned int CDPL::ForceField::MMFF94ParameterSet::DYNAMIC = 0 |
const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC = 1 |
const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_XOOP = 2 |
const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR = 3 |
const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR_XOOP = 4 |