BALL::Pair6_12InteractionEnergyProcessor::Option Struct Reference

#include <BALL/SOLVATION/pair6_12InteractionEnergyProcessor.h>

List of all members.

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.


Member Data Documentation

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_namechar*

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_namechar*

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_namechar*

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_densityfloat

The name of the file containing a surface definition.

See also:
Default::SURFACE_FILENAME
Parameters:
surface_filenamechar*

The type of surface to be used.

See also:
Default::SURFACE_TYPE
Parameters:
surface_typeint the type of the surface

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:
verbosityinteger

The verbosity level. Use integer values with this option.

See also:
Default::VERBOSITY
Parameters:
verbosityinteger