MMFF94ParameterSet.hpp File Reference

Definition of constants in namespace CDPL::ForceField::MMFF94ParameterSet. More...

Go to the source code of this file.

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::ForceField
	Contains classes and functions related to molecular force fields.
	CDPL::ForceField::MMFF94ParameterSet
	Provides flags for the specification of the MMFF94 parameter set to use.

Variables
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

Detailed Description

Definition of constants in namespace CDPL::ForceField::MMFF94ParameterSet.