BALL 1.5.0
bendComponent.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_BENDCOMPONENT_H
7#define BALL_MOLMEC_COMMON_BENDCOMPONENT_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_QUADRATICANGLEBEND_H
19#endif
20
21namespace BALL
22{
23 class ForceField;
29 {
30 public:
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33
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46
50 virtual ~BendComponent();
51
53
57
61 virtual double updateEnergy();
62
66 virtual void updateForces();
67
69
70 protected:
71
72 /*_ @name Private Attributes
73 */
74 //_@{
75
76 /*_ pointer to the array of bends
77 */
78 vector<QuadraticAngleBend::Data> bend_;
79
80 QuadraticAngleBend bend_parameters_;
81
82 //_@}
83 };
84} // namespace BALL
85
86#endif //BALL_MOLMEC_COMMON_BENDCOMPONENT_H
#define BALL_CREATE(name)
Definition: create.h:62
Definition: constants.h:13
#define BALL_EXPORT
Definition: COMMON/global.h:50