BALL::PierottiCavFreeEnergyProcessor::Option Struct Reference

Symbolic names for option keys. More...

#include <pierottiCavFreeEnergyProcessor.h>


Static Public Attributes
const char *	VERBOSITY
	The verbosity level.
const char *	SOLVENT_NUMBER_DENSITY
	The number density of the solvent.
const char *	PRESSURE
	The pressure.
const char *	ABSOLUTE_TEMPERATURE
	The temperature.
const char *	PROBE_RADIUS
	The probe radius.

Detailed Description

Symbolic names for option keys.

This struct contains a symbolic name for each recognized key in PierottiCavFreeEnergyProcessor::options.

Member Data Documentation

const char* BALL::PierottiCavFreeEnergyProcessor::Option::ABSOLUTE_TEMPERATURE [static]

The temperature.

This option defines the absolute temperature at which the solvation takes place. Use float values of unit K with this option.

See also:: Default::ABSOLUTE_TEMPERATURE

Parameters:

absolute_temperature

float;

const char* BALL::PierottiCavFreeEnergyProcessor::Option::PRESSURE [static]

The pressure.

With this option it is possible to define the pressure under which the solvation takes place. Use float values of unit Pa with this option.

See also:: Default::PRESSURE

Parameters:

pressure

float

const char* BALL::PierottiCavFreeEnergyProcessor::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.