stretchComponent.h

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// -*- Mode: C++; tab-width: 2; -*-
// 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;

  class BALL_EXPORT StretchComponent : public ForceFieldComponent
  {
    public:
      BALL_CREATE(StretchComponent)
 
      
      StretchComponent();

      StretchComponent(ForceField& force_field);

      virtual ~StretchComponent();




      virtual double updateEnergy();

      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