BALL::UhligCavFreeEnergyProcessor::Option

BALL::UhligCavFreeEnergyProcessor::Option Struct Reference

#include <BALL/SOLVATION/uhligCavFreeEnergyProcessor.h>

List of all members.


Static Public Attributes

static const char * VERBOSITY
static const char * PROBE_RADIUS
static const char * SURFACE_TENSION
static const char * CONSTANT

Detailed Description

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

Member Data Documentation

const char* BALL::UhligCavFreeEnergyProcessor::Option::CONSTANT [static]

The additive constant. This option represents an adjustable constant $C$ added to the $\gamma A$ term. Use float values of unit $\mathrm{J}\cdot\mathrm{mol}^{-1}$ with this option.

See also:
Default::CONSTANT
Parameters:
constant float;
const char* BALL::UhligCavFreeEnergyProcessor::Option::PROBE_RADIUS [static]

The probe radius. This option defines the hard sphere solvent radius needed for the calculation of the cavitation free energy according to the scaled particle theory. Use float values of unit $ A $ with this option.

See also:
Default::PROBE_RADIUS
Parameters:
probe_radius float;
const char* BALL::UhligCavFreeEnergyProcessor::Option::SURFACE_TENSION [static]

The surface tension. This option sets the surface tension needed for the calculation of the cavitation free energy. Use float values of unit $\mathrm{J}\cdot\mathrm{mol}^{-1}\cdot A^{-2}$ with this option.

See also:
Default::SURFACE_TENSION
Parameters:
surface_tension float;
const char* BALL::UhligCavFreeEnergyProcessor::Option::VERBOSITY [static]

The verbosity level. Use integer values with this option.

See also:
Default::VERBOSITY
Parameters:
verbosity integer