MMFF94ParameterSet.hpp File Reference

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

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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
constexpr unsigned int	CDPL::ForceField::MMFF94ParameterSet::DYNAMIC = 0
constexpr unsigned int	CDPL::ForceField::MMFF94ParameterSet::STATIC = 1
constexpr unsigned int	CDPL::ForceField::MMFF94ParameterSet::STATIC_XOOP = 2
constexpr unsigned int	CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR = 3
constexpr unsigned int	CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR_XOOP = 4

Detailed Description

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