metal.h

// $Id: metal.h,v 1.1 2005/11/21 19:27:05 anker Exp $

#ifndef BALL_MOLMEC_SLICK_CHEMSCOREMETAL_H
#define BALL_MOLMEC_SLICK_CHEMSCOREMETAL_H

#include <BALL/MOLMEC/COMMON/forceFieldComponent.h>

namespace BALL
{

  class ChemScoreMetal
    : public ForceFieldComponent
  {

    public:


    ChemScoreMetal()
      ;

    ChemScoreMetal(ForceField& force_field)
      ;

    ChemScoreMetal(const ChemScoreMetal& csm)
      ;

    virtual ~ChemScoreMetal()
      ;



    const ChemScoreMetal& operator = (const ChemScoreMetal& csm)
      ;

    virtual void clear()
      ;



    bool operator == (const ChemScoreMetal& csm) const
      ;



    virtual bool setup()
      ;



    virtual double updateEnergy()
      ;

    virtual void updateForces()
      ;


    private:

    /*_
    */
    std::vector< std::pair<const Atom*, const Atom*> > possible_metal_interactions_;

    /*_
    */
    double factor_;

    /*_ 
    */
    double r1_;

    /*_ 
    */
    double r2_;

  };

} // namespace BALL

#endif // BALL_MOLMEC_SLICK_CHEMSCOREMETAL_H

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