BALL  1.5.0
uhligCavFreeEnergyProcessor.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 // $Id: uhligCavFreeEnergyProcessor.h,v 1.19 2005/12/23 17:02:00 amoll Exp $
5 //
6 
7 #ifndef BALL_SOLVATION_UHLIGCAVFREEENERGYPROCESSOR_H
8 #define BALL_SOLVATION_UHLIGCAVFREEENERGYPROCESSOR_H
9 
10 #ifndef BALL_COMMON_H
11 # include <BALL/common.h>
12 #endif
13 
14 #ifndef BALL_ENERGY_ENERGYPROCESSOR_H
16 #endif
17 
18 #ifndef BALL_DATATYPE_OPTIONS_H
19 # include <BALL/DATATYPE/options.h>
20 #endif
21 
22 namespace BALL
23 {
31  : public EnergyProcessor
32  {
33 
34  public:
35 
40  struct Option
41  {
47  static const char* VERBOSITY;
48 
56  static const char* PROBE_RADIUS;
57 
65  static const char* SURFACE_TENSION;
66 
74  static const char* CONSTANT;
75 
76  };
77 
82  struct Default
83  {
87  static const int VERBOSITY;
88 
94  static const float PROBE_RADIUS;
95 
106  static const float SURFACE_TENSION;
107 
116  static const float CONSTANT;
117 
118  };
119 
123 
127 
131 
134  virtual ~UhligCavFreeEnergyProcessor();
135 
137 
140 
143  const UhligCavFreeEnergyProcessor& operator = (const UhligCavFreeEnergyProcessor& proc);
144 
147  virtual void clear();
148 
150 
153 
156  bool operator == (const UhligCavFreeEnergyProcessor& proc) const;
157 
159 
162 
165  virtual bool finish();
166 
168 
171 
175 
177 
178  private:
179 
180  void setDefaultOptions();
181 
182  };
183 }
184 
185 #endif // BALL_SOLVATION_UHLIGCAVFREEENERGYPROCESSOR_H
BALL::UhligCavFreeEnergyProcessor::Option
Definition: uhligCavFreeEnergyProcessor.h:40
BALL::UhligCavFreeEnergyProcessor::Default::CONSTANT
static const float CONSTANT
Definition: uhligCavFreeEnergyProcessor.h:116
energyProcessor.h
BALL::Options
Definition: options.h:46
BALL::UhligCavFreeEnergyProcessor::Option::CONSTANT
static const char * CONSTANT
Definition: uhligCavFreeEnergyProcessor.h:74
BALL::UhligCavFreeEnergyProcessor
Definition: uhligCavFreeEnergyProcessor.h:30
BALL
Definition: constants.h:12
BALL::UhligCavFreeEnergyProcessor::Default::SURFACE_TENSION
static const float SURFACE_TENSION
Definition: uhligCavFreeEnergyProcessor.h:106
BALL::UhligCavFreeEnergyProcessor::Default
Definition: uhligCavFreeEnergyProcessor.h:82
BALL::UhligCavFreeEnergyProcessor::Option::PROBE_RADIUS
static const char * PROBE_RADIUS
Definition: uhligCavFreeEnergyProcessor.h:56
options.h
BALL::UhligCavFreeEnergyProcessor::options
Options options
Definition: uhligCavFreeEnergyProcessor.h:174
BALL::UhligCavFreeEnergyProcessor::Option::VERBOSITY
static const char * VERBOSITY
Definition: uhligCavFreeEnergyProcessor.h:47
BALL::EnergyProcessor
Definition: energyProcessor.h:30
BALL::UhligCavFreeEnergyProcessor::Default::VERBOSITY
static const int VERBOSITY
Definition: uhligCavFreeEnergyProcessor.h:87
BALL::operator==
BALL_EXPORT bool operator==(const String &s1, const String &s2)
common.h
BALL::UhligCavFreeEnergyProcessor::Default::PROBE_RADIUS
static const float PROBE_RADIUS
Definition: uhligCavFreeEnergyProcessor.h:94
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::UhligCavFreeEnergyProcessor::Option::SURFACE_TENSION
static const char * SURFACE_TENSION
Definition: uhligCavFreeEnergyProcessor.h:65