OpenMM
Main Page
Related Pages
Classes
All
Classes
Namespaces
Functions
Variables
Typedefs
Enumerations
Enumerator
Friends
Pages
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_*/
OpenMM::Context
A Context stores the complete state of a simulation.
Definition:
Context.h:67
OpenMM::Force
Force objects apply forces to the particles in a System, or alter their behavior in other ways...
Definition:
Force.h:65
OpenMM::Force::~Force
virtual ~Force()
Definition:
Force.h:69
OpenMM::Force::Force
Force()
Definition:
Force.h:67
OpenMM
Definition:
AndersenThermostat.h:40
openmm
openmmapi
include
openmm
Force.h
Generated on Fri Jul 17 2015 01:23:15 for OpenMM by
1.8.8