#include <BALL/SOLVATION/uhligCavFreeEnergyProcessor.h>

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.

Definition at line 40 of file uhligCavFreeEnergyProcessor.h.

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;

Definition at line 74 of file uhligCavFreeEnergyProcessor.h.

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;

Definition at line 56 of file uhligCavFreeEnergyProcessor.h.

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;

Definition at line 65 of file uhligCavFreeEnergyProcessor.h.

const char* BALL::UhligCavFreeEnergyProcessor::Option::VERBOSITY

static

The verbosity level. Use integer values with this option.

See also: Default::VERBOSITY

Parameters

verbosity integer

Definition at line 47 of file uhligCavFreeEnergyProcessor.h.

Static Public Attributes

Detailed Description

Member Data Documentation