BALL::Pair6_12InteractionEnergyProcessor::Option

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

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*
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*
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*
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.

See also:
Default::SOLVENT_NUMBER_DENSITY
Parameters:
solvent_number_density float
const char* BALL::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::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::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::Option::VERBOSITY [static]

The verbosity level. Use integer values with this option.

See also:
Default::VERBOSITY
Parameters:
verbosity integer