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charmmStretch.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_CHARMMSTRETCH_H
#define BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif
#ifndef BALL_MOLMEC_COMMON_STRETCHCOMPONENT_H
# include <BALL/MOLMEC/COMMON/stretchComponent.h>
#endif
namespace BALL
{
class BALL_EXPORT CharmmStretch : public StretchComponent
{
public:
#define CHARMM_STRETCHES_ENABLED "enable Stretches"
BALL_CREATE(CharmmStretch)
CharmmStretch();
CharmmStretch(ForceField& force_field);
virtual ~CharmmStretch();
virtual bool setup();
};
} // namespace BALL
#endif // BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::CharmmStretch::setup
virtual bool setup()
BALL::CharmmStretch::CharmmStretch
CharmmStretch()
BALL::ForceField
Definition forceField.h:86
BALL::StretchComponent::StretchComponent
StretchComponent()
common.h
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
BALL
Definition constants.h:13
stretchComponent.h