BALL 1.5.0
PCMCavFreeEnergyProcessor.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4// $Id: PCMCavFreeEnergyProcessor.h,v 1.18 2005/12/23 17:01:59 amoll Exp $
5//
6
7#ifndef BALL_SOLVATION_PCMCAVFREEENERGYPROCESSOR_H
8#define BALL_SOLVATION_PCMCAVFREEENERGYPROCESSOR_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{
33 : public EnergyProcessor
34 {
35
36 public:
37
43 {
49 static const char* VERBOSITY;
50
57 static const char* SOLVENT_NUMBER_DENSITY;
58
65 static const char* ABSOLUTE_TEMPERATURE;
66
74 static const char* PROBE_RADIUS;
75 };
76
82 {
86 static const int VERBOSITY;
87
93 static const float SOLVENT_NUMBER_DENSITY;
94
99 static const float ABSOLUTE_TEMPERATURE;
100
106 static const float PROBE_RADIUS;
107 };
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136 virtual void clear();
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154 virtual bool finish();
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167 };
168
169}
170
171#endif // BALL_SOLVATION_PCMCAVFREEENERGYPROCESSOR_H
Definition: constants.h:13
BALL_EXPORT bool operator==(const String &s1, const String &s2)
PCMCavFreeEnergyProcessor(const PCMCavFreeEnergyProcessor &proc)
#define BALL_EXPORT
Definition: COMMON/global.h:50