BALL 1.5.0
stretchComponent.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_COMMON_STRETCHCOMPONENT_H
7#define BALL_MOLMEC_COMMON_STRETCHCOMPONENT_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#ifndef BALL_MOLMEC_PARAMETER_QUADRATICBONDSTRETCH_H
19#endif
20
21namespace BALL
22{
23 class ForceField;
24
31 {
32 public:
34
35
39
44
47 virtual ~StretchComponent();
48
50
52
55
59 virtual double updateEnergy();
60
64 virtual void updateForces();
65
67
68 protected:
69 /*_ @name Private Attributes
70 */
71 //_@{
72
73 /*_
74 */
75 std::vector<QuadraticBondStretch::Data> stretch_;
76
77 /*_ The stretch parameters section
78 */
79 QuadraticBondStretch stretch_parameters_;
80
81 //_@}
82 };
83} // namespace BALL
84
85#endif // BALL_MOLMEC_COMMON_STRETCHCOMPONENT_H
#define BALL_CREATE(name)
Definition: create.h:62
STL namespace.
Definition: constants.h:13
#define BALL_EXPORT
Definition: COMMON/global.h:50