/usr/include/BALL/MOLMEC/COMMON/bendComponent.h is in libball1.4-dev 1.4.3~beta1-3.
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// vi: set ts=2:
//
// Molecular Mechanics: Amber force field, bond stretch component
#ifndef BALL_MOLMEC_COMMON_BENDCOMPONENT_H
#define BALL_MOLMEC_COMMON_BENDCOMPONENT_H
#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif
#ifndef BALL_MOLMEC_COMMON_FORCEFIELDCOMPONENT_H
# include <BALL/MOLMEC/COMMON/forceFieldComponent.h>
#endif
#ifndef BALL_MOLMEC_PARAMETER_QUADRATICANGLEBEND_H
# include <BALL/MOLMEC/PARAMETER/quadraticAngleBend.h>
#endif
namespace BALL
{
class ForceField;
/** Amber bond stretch component
\ingroup AMBER
*/
class BALL_EXPORT BendComponent : public ForceFieldComponent
{
public:
BALL_CREATE(BendComponent)
/** @name Constructors and Destructors
*/
//@{
/**
* Default constructor.
*/
BendComponent();
/**
* Detailed Constructor.
*/
BendComponent(ForceField& force_field);
/**
*Destructor.
*/
virtual ~BendComponent();
//@}
/** @name Accessors
*/
//@{
/**
* \copydoc ForceFieldComponent::updateEnergy()
*/
virtual double updateEnergy();
/**
* \copydoc ForceFieldComponent::updateForces()
*/
virtual void updateForces();
//@}
protected:
/*_ @name Private Attributes
*/
//_@{
/*_ pointer to the array of bends
*/
vector<QuadraticAngleBend::Data> bend_;
QuadraticAngleBend bend_parameters_;
//_@}
};
} // namespace BALL
#endif //BALL_MOLMEC_COMMON_BENDCOMPONENT_H
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