BALL  1.4.1
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Static Public Attributes
BALL::PairExpInteractionEnergyProcessor::Option Struct Reference

#include <BALL/SOLVATION/pairExpInteractionEnergyProcessor.h>

List of all members.

Static Public Attributes

static const char * VERBOSITY
static const char * ALPHA
static const char * C1
static const char * C2
static const char * CLAVERIE_FILENAME
static const char * USE_RDF
static const char * RDF_FILENAME
static const char * SOLVENT_FILENAME
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 PairExpInteractionEnergyProcessor::options.

Definition at line 79 of file pairExpInteractionEnergyProcessor.h.


Member Data Documentation

Constants for the pair potential.

See also:
Default::ALPHA
Default::C1
Default::C2
Parameters:
alphafloat
c1float
c2float

Definition at line 97 of file pairExpInteractionEnergyProcessor.h.

Definition at line 98 of file pairExpInteractionEnergyProcessor.h.

Definition at line 99 of file pairExpInteractionEnergyProcessor.h.

Definition at line 101 of file pairExpInteractionEnergyProcessor.h.

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*

Definition at line 117 of file pairExpInteractionEnergyProcessor.h.

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*

Definition at line 125 of file pairExpInteractionEnergyProcessor.h.

The name of the file containing a surface definition.

See also:
Default::SURFACE_FILENAME
Parameters:
surface_filenamechar*

Definition at line 137 of file pairExpInteractionEnergyProcessor.h.

The type of surface to be used.

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

Definition at line 131 of file pairExpInteractionEnergyProcessor.h.

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

Definition at line 109 of file pairExpInteractionEnergyProcessor.h.

The verbosity level. Use integer values with this option.

See also:
Default::VERBOSITY
Parameters:
verbosityinteger

Definition at line 87 of file pairExpInteractionEnergyProcessor.h.

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