CDPL::ForceField::MMFF94ParameterSet Namespace Reference

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

Variables
constexpr unsigned int	DYNAMIC = 0
constexpr unsigned int	STATIC = 1
constexpr unsigned int	STATIC_XOOP = 2
constexpr unsigned int	STATIC_RTOR = 3
constexpr unsigned int	STATIC_RTOR_XOOP = 4

Detailed Description

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

Variable Documentation

DYNAMIC

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

constexpr

STATIC

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

constexpr

STATIC_XOOP

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

constexpr

STATIC_RTOR

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

constexpr

STATIC_RTOR_XOOP

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

constexpr