BALL 1.5.0
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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
20#endif
21
22namespace 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
135
137
140
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
UhligCavFreeEnergyProcessor(const UhligCavFreeEnergyProcessor &proc)
#define BALL_EXPORT