BALL::Pair6_12InteractionEnergyProcessor::Pair6_12InteractionEnergyProcessor::Option Struct Reference

Symbolic names for option keys. More...

#include <pair6_12InteractionEnergyProcessor.h>

List of all members.

Static Public Attributes
static const char *	VERBOSITY
	The verbosity level.
static const char *	USE_RDF
	RDF option.
static const char *	RDF_FILENAME
	RDF file option.
static const char *	SOLVENT_FILENAME
	Solvent description file option.
static const char *	LJ_FILENAME
	Lennard Jones parameter file option.
static const char *	SOLVENT_NUMBER_DENSITY
	The number density of the solvent.
static const char *	SURFACE_TYPE
	The type of surface to be used.
static const char *	SURFACE_FILENAME
	The name of the file containing a surface definition.

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Detailed Description

Symbolic names for option keys.

This struct contains a symbolic name for each recognized key in Pair6_12InteractionEnergyProcessor::options.

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Member Data Documentation

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

Lennard Jones parameter file option.

This option sets the name of the file containig the Lennard-Jones parameters. Use char* values with this option.

See also:

Default::LJ_FILENAME;

Parameters:

lennard_jones_file_name

char*

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

RDF file option.

This options sets the name of the file containing the RDF information. Use char* values with this option.

See also:

Default::RDF_FILENAME

Parameters:

rdf_file_name

char*

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

Solvent description file option.

This option sets the name of the file containig the solvent description. Use char* values with this option.

See also:

Default::SOLVENT_FILENAME;

Parameters:

solvent_file_name

char*

const char* BALL::Pair6_12InteractionEnergyProcessor::Pair6_12InteractionEnergyProcessor::Option::SOLVENT_NUMBER_DENSITY [static]

The number density of the solvent.

This option defines the number density of the surrounding solvent. Use float values of unit $ A^{-3} $ with this option.

See also:

Default::SOLVENT_NUMBER_DENSITY

Parameters:

solvent_number_density

float

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

The name of the file containing a surface definition.

See also:

Default::SURFACE_FILENAME

Parameters:

surface_filename

char*

const char* BALL::Pair6_12InteractionEnergyProcessor::Pair6_12InteractionEnergyProcessor::Option::SURFACE_TYPE [static]

The type of surface to be used.

See also:

Default::SURFACE_TYPE

Parameters:

surface_type

int the type of the surface

const char* BALL::Pair6_12InteractionEnergyProcessor::Pair6_12InteractionEnergyProcessor::Option::USE_RDF [static]

RDF option.

This option states whether the RDF should be considered during the integrtion or not. Use bool values with this option.

See also:

Default::USE_RDF

Parameters:

verbosity

integer

const char* BALL::Pair6_12InteractionEnergyProcessor::Pair6_12InteractionEnergyProcessor::Option::VERBOSITY [static]

The verbosity level.

Use integer values with this option.

See also:

Default::VERBOSITY

Parameters:

verbosity

integer