/usr/include/BALL/MOLMEC/COMMON/stretchComponent.h is in libball1.4-dev 1.4.3~beta1-4.
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// vi: set ts=2:
//
// Molecular Mechanics: Amber force field, bond stretch component
#ifndef BALL_MOLMEC_COMMON_STRETCHCOMPONENT_H
#define BALL_MOLMEC_COMMON_STRETCHCOMPONENT_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_QUADRATICBONDSTRETCH_H
# include <BALL/MOLMEC/PARAMETER/quadraticBondStretch.h>
#endif
namespace BALL
{
class ForceField;
/**
* A ForceField component implementing the harmonic potential used
* by Amber and CHARMM
* \ingroup MOLMEC
*/
class BALL_EXPORT StretchComponent : public ForceFieldComponent
{
public:
BALL_CREATE(StretchComponent)
/**
* Default Constructor
*/
StretchComponent();
/**
* Detailed Constructor
*/
StretchComponent(ForceField& force_field);
/** Destructor.
*/
virtual ~StretchComponent();
//@}
//@}
/** @name Accessors
*/
//@{
/**
* @copydoc ForceFieldComponent::updateEnergy()
*/
virtual double updateEnergy();
/**
* @copydoc ForceFieldComponent::updateForces()
*/
virtual void updateForces();
//@}
protected:
/*_ @name Private Attributes
*/
//_@{
/*_
*/
std::vector<QuadraticBondStretch::Data> stretch_;
/*_ The stretch parameters section
*/
QuadraticBondStretch stretch_parameters_;
//_@}
};
} // namespace BALL
#endif // BALL_MOLMEC_COMMON_STRETCHCOMPONENT_H
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