BALL::Pair6_12InteractionEnergyProcessor::Option Struct Reference

#include <BALL/SOLVATION/pair6_12InteractionEnergyProcessor.h>

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

Detailed Description

Symbolic names for option keys. This struct contains a symbolic name for each recognized key in Pair6_12InteractionEnergyProcessor::options.

Definition at line 67 of file pair6_12InteractionEnergyProcessor.h.

Member Data Documentation

const char* BALL::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*

Definition at line 107 of file pair6_12InteractionEnergyProcessor.h.

const char* BALL::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*

Definition at line 91 of file pair6_12InteractionEnergyProcessor.h.

const char* BALL::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*

Definition at line 99 of file pair6_12InteractionEnergyProcessor.h.

const char* BALL::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.