BALL  1.5.0
charmmStretch.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 // Molecular Mechanics: Charmm force field, bond stretch component
5 
6 #ifndef BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
7 #define BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
8 
9 #ifndef BALL_COMMON_H
10 # include <BALL/common.h>
11 #endif
12 
13 #ifndef BALL_MOLMEC_COMMON_STRETCHCOMPONENT_H
15 #endif
16 
17 namespace BALL
18 {
24  {
25  public:
26 
28  #define CHARMM_STRETCHES_ENABLED "enable Stretches"
29 
33 
34  BALL_CREATE(CharmmStretch)
35 
36 
38  CharmmStretch();
39 
42  CharmmStretch(ForceField& force_field);
43 
46  virtual ~CharmmStretch();
47 
49 
52 
56  virtual bool setup();
57 
59  };
60 } // namespace BALL
61 
62 #endif // BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
stretchComponent.h
BALL::CharmmStretch
Definition: charmmStretch.h:23
BALL
Definition: constants.h:12
BALL::StretchComponent
Definition: stretchComponent.h:30
common.h
BALL_CREATE
#define BALL_CREATE(name)
Definition: create.h:62
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50