Loading...
Searching...
No Matches
uhligCavFreeEnergyProcessor.h
Go to the documentation of this file.
// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: uhligCavFreeEnergyProcessor.h,v 1.19 2005/12/23 17:02:00 amoll Exp $
//
#ifndef BALL_SOLVATION_UHLIGCAVFREEENERGYPROCESSOR_H
#define BALL_SOLVATION_UHLIGCAVFREEENERGYPROCESSOR_H
#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif
#ifndef BALL_ENERGY_ENERGYPROCESSOR_H
# include <BALL/ENERGY/energyProcessor.h>
#endif
#ifndef BALL_DATATYPE_OPTIONS_H
# include <BALL/DATATYPE/options.h>
#endif
namespace BALL
{
class BALL_EXPORT UhligCavFreeEnergyProcessor
: public EnergyProcessor
{
public:
struct Option
{
static const char* VERBOSITY;
static const char* PROBE_RADIUS;
static const char* SURFACE_TENSION;
static const char* CONSTANT;
};
struct Default
{
static const int VERBOSITY;
static const float PROBE_RADIUS;
static const float SURFACE_TENSION;
static const float CONSTANT;
};
UhligCavFreeEnergyProcessor();
UhligCavFreeEnergyProcessor(const UhligCavFreeEnergyProcessor& proc);
virtual ~UhligCavFreeEnergyProcessor();
const UhligCavFreeEnergyProcessor& operator = (const UhligCavFreeEnergyProcessor& proc);
virtual void clear();
bool operator == (const UhligCavFreeEnergyProcessor& proc) const;
virtual bool finish();
Options options;
private:
void setDefaultOptions();
};
}
#endif // BALL_SOLVATION_UHLIGCAVFREEENERGYPROCESSOR_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::EnergyProcessor::EnergyProcessor
EnergyProcessor()
BALL::Options
Definition options.h:48
BALL::UhligCavFreeEnergyProcessor::finish
virtual bool finish()
BALL::UhligCavFreeEnergyProcessor::clear
virtual void clear()
BALL::UhligCavFreeEnergyProcessor::UhligCavFreeEnergyProcessor
UhligCavFreeEnergyProcessor()
BALL::UhligCavFreeEnergyProcessor::~UhligCavFreeEnergyProcessor
virtual ~UhligCavFreeEnergyProcessor()
BALL::UhligCavFreeEnergyProcessor::UhligCavFreeEnergyProcessor
UhligCavFreeEnergyProcessor(const UhligCavFreeEnergyProcessor &proc)
BALL::UhligCavFreeEnergyProcessor::options
Options options
Definition uhligCavFreeEnergyProcessor.h:174
common.h
energyProcessor.h
BALL
Definition constants.h:13
options.h
BALL::UhligCavFreeEnergyProcessor::Default
Definition uhligCavFreeEnergyProcessor.h:83
BALL::UhligCavFreeEnergyProcessor::Default::SURFACE_TENSION
static const float SURFACE_TENSION
Definition uhligCavFreeEnergyProcessor.h:106
BALL::UhligCavFreeEnergyProcessor::Default::VERBOSITY
static const int VERBOSITY
Definition uhligCavFreeEnergyProcessor.h:87
BALL::UhligCavFreeEnergyProcessor::Default::PROBE_RADIUS
static const float PROBE_RADIUS
Definition uhligCavFreeEnergyProcessor.h:94
BALL::UhligCavFreeEnergyProcessor::Default::CONSTANT
static const float CONSTANT
Definition uhligCavFreeEnergyProcessor.h:116
BALL::UhligCavFreeEnergyProcessor::Option
Definition uhligCavFreeEnergyProcessor.h:41
BALL::UhligCavFreeEnergyProcessor::Option::CONSTANT
static const char * CONSTANT
Definition uhligCavFreeEnergyProcessor.h:74
BALL::UhligCavFreeEnergyProcessor::Option::PROBE_RADIUS
static const char * PROBE_RADIUS
Definition uhligCavFreeEnergyProcessor.h:56
BALL::UhligCavFreeEnergyProcessor::Option::VERBOSITY
static const char * VERBOSITY
Definition uhligCavFreeEnergyProcessor.h:47
BALL::UhligCavFreeEnergyProcessor::Option::SURFACE_TENSION
static const char * SURFACE_TENSION
Definition uhligCavFreeEnergyProcessor.h:65