BALL::Pair6_12InteractionEnergyProcessor::Pair6_12InteractionEnergyProcessor::Default Struct Reference

Default values for interaction energy calculations. More...

#include <pair6_12InteractionEnergyProcessor.h>

List of all members.

Static Public Attributes
static const Size	VERBOSITY
	Default verbosity level.
static const bool	USE_RDF
	Default RDF setting.
static const char *	RDF_FILENAME
static const char *	SOLVENT_FILENAME
static const char *	LJ_FILENAME
static const float	SOLVENT_NUMBER_DENSITY
	Default 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 float BALL::Pair6_12InteractionEnergyProcessor::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::Pair6_12InteractionEnergyProcessor::Default::SURFACE_FILENAME [static]

See also:

Option::SURFACE_FILENAME

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

See also:

Option::SURFACE_TYPE

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

Default verbosity level.

See also:

Option::VERBOSITY