CDPL::ForceField::MMFF94ParameterSet Namespace Reference

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

Detailed Description

Provides flags for the specification of the MMFF94 parameter set to use.

Variable Documentation

DYNAMIC

const unsigned int CDPL::ForceField::MMFF94ParameterSet::DYNAMIC = 0

STATIC

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC = 1

STATIC_XOOP

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_XOOP = 2

STATIC_RTOR

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR = 3

STATIC_RTOR_XOOP

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR_XOOP = 4