BALL::Pair6_12InteractionEnergyProcessor::Default Struct Reference

#include <BALL/SOLVATION/pair6_12InteractionEnergyProcessor.h>

List of all members.

Static Public Attributes
static const Size	VERBOSITY
static const bool	USE_RDF
static const char *	RDF_FILENAME
static const char *	SOLVENT_FILENAME
static const char *	LJ_FILENAME
static const float	SOLVENT_NUMBER_DENSITY
static const Size	SURFACE_TYPE
static const char *	SURFACE_FILENAME

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Detailed Description

Default values for interaction energy calculations. These values represent the default settings for the calculations of the interaction energy.

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Member Data Documentation

const char* BALL::Pair6_12InteractionEnergyProcessor::Default::LJ_FILENAME [static]

const char* BALL::Pair6_12InteractionEnergyProcessor::Default::RDF_FILENAME [static]

const char* BALL::Pair6_12InteractionEnergyProcessor::Default::SOLVENT_FILENAME [static]

const float BALL::Pair6_12InteractionEnergyProcessor::Default::SOLVENT_NUMBER_DENSITY [static]

Default number density. This default value is the number density of water at 300 K and standard pressure (3.33253e-2 $ A^{-3}$).

See also:

Option::SOLVENT_NUMBER_DENSITY;

const char* BALL::Pair6_12InteractionEnergyProcessor::Default::SURFACE_FILENAME [static]

See also:

Option::SURFACE_FILENAME

const Size BALL::Pair6_12InteractionEnergyProcessor::Default::SURFACE_TYPE [static]

See also:

Option::SURFACE_TYPE

const bool BALL::Pair6_12InteractionEnergyProcessor::Default::USE_RDF [static]

Default RDF setting. We use RDF information for the calculation of the interaction energy by default.

See also:

Option::USE_RDF

const Size BALL::Pair6_12InteractionEnergyProcessor::Default::VERBOSITY [static]

Default verbosity level.

See also:

Option::VERBOSITY