BALL  1.5.0
amberBend.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 // Molecular Mechanics: Amber force field, bond stretch component
5 
6 #ifndef BALL_MOLMEC_AMBER_AMBERBEND_H
7 #define BALL_MOLMEC_AMBER_AMBERBEND_H
8 
9 #ifndef BALL_COMMON_H
10 # include <BALL/common.h>
11 #endif
12 
13 #ifndef BALL_MOLMEC_COMMON_FORCEFIELDCOMPONENT_H
15 #endif
16 
17 namespace BALL
18 {
24  {
25  public:
26 
28 
29 
30  #define AMBER_BEND_ENABLED "enable Bends"
31 
35 
38  AmberBend();
39 
42  AmberBend(ForceField& force_field);
43 
46  virtual ~AmberBend();
47 
49 
53 
57  virtual bool setup();
58 
60  };
61 } // namespace BALL
62 
63 #endif // BALL_MOLMEC_AMBER_AMBERBEND_H
BALL
Definition: constants.h:12
BALL::AmberBend
Definition: amberBend.h:23
bendComponent.h
common.h
BALL_CREATE
#define BALL_CREATE(name)
Definition: create.h:62
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::BendComponent
Definition: bendComponent.h:28