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Force.h
1 #ifndef OPENMM_FORCE_H_
2 #define OPENMM_FORCE_H_
3 
4 /* -------------------------------------------------------------------------- *
5  * OpenMM *
6  * -------------------------------------------------------------------------- *
7  * This is part of the OpenMM molecular simulation toolkit originating from *
8  * Simbios, the NIH National Center for Physics-Based Simulation of *
9  * Biological Structures at Stanford, funded under the NIH Roadmap for *
10  * Medical Research, grant U54 GM072970. See https://simtk.org. *
11  * *
12  * Portions copyright (c) 2008-2012 Stanford University and the Authors. *
13  * Authors: Peter Eastman *
14  * Contributors: *
15  * *
16  * Permission is hereby granted, free of charge, to any person obtaining a *
17  * copy of this software and associated documentation files (the "Software"), *
18  * to deal in the Software without restriction, including without limitation *
19  * the rights to use, copy, modify, merge, publish, distribute, sublicense, *
20  * and/or sell copies of the Software, and to permit persons to whom the *
21  * Software is furnished to do so, subject to the following conditions: *
22  * *
23  * The above copyright notice and this permission notice shall be included in *
24  * all copies or substantial portions of the Software. *
25  * *
26  * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
27  * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
28  * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
29  * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
30  * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
31  * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
32  * USE OR OTHER DEALINGS IN THE SOFTWARE. *
33  * -------------------------------------------------------------------------- */
34 
35 #include "internal/windowsExport.h"
36 
37 namespace OpenMM {
38 
39 class Context;
40 class ContextImpl;
41 class ForceImpl;
42 
65 class OPENMM_EXPORT Force {
66 public:
67  Force() : forceGroup(0) {
68  }
69  virtual ~Force() {
70  }
74  int getForceGroup() const;
80  void setForceGroup(int group);
88  virtual bool usesPeriodicBoundaryConditions() const;
89 protected:
90  friend class ContextImpl;
96  virtual ForceImpl* createImpl() const = 0;
100  ForceImpl& getImplInContext(Context& context);
104  ContextImpl& getContextImpl(Context& context);
105 private:
106  int forceGroup;
107 };
108 
109 } // namespace OpenMM
110 
111 #endif /*OPENMM_FORCE_H_*/
A Context stores the complete state of a simulation.
Definition: Context.h:67
Force objects apply forces to the particles in a System, or alter their behavior in other ways...
Definition: Force.h:65
virtual ~Force()
Definition: Force.h:69
Force()
Definition: Force.h:67
Definition: AndersenThermostat.h:40