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charmmBend.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// Molecular Mechanics: Charmm force field, bond stretch component
#ifndef BALL_MOLMEC_CHARMM_CHARMMBEND_H
#define BALL_MOLMEC_CHARMM_CHARMMBEND_H
#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif
#ifndef BALL_MOLMEC_COMMON_BENDCOMPONENT_H
# include <BALL/MOLMEC/COMMON/bendComponent.h>
#endif
namespace BALL
{
class BALL_EXPORT CharmmBend : public BendComponent
{
public:
BALL_CREATE(CharmmBend)
#define CHARMM_BENDS_ENABLED "enable Bends"
CharmmBend();
CharmmBend(ForceField& force_field);
virtual ~CharmmBend();
virtual bool setup();
};
} // namespace BALL
#endif // BALL_MOLMEC_CHARMM_CHARMMBEND_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
bendComponent.h
BALL::BendComponent::BendComponent
BendComponent()
BALL::CharmmBend::setup
virtual bool setup()
BALL::CharmmBend::CharmmBend
CharmmBend()
BALL::CharmmBend::~CharmmBend
virtual ~CharmmBend()
BALL::CharmmBend::CharmmBend
CharmmBend(ForceField &force_field)
BALL::ForceField
Definition forceField.h:86
common.h
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
BALL
Definition constants.h:13