advElectrostatic.h

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// ----------------------------------------------------
// $Maintainer: Marcel Schumann $
// $Authors: Marcel Schumann $
// ----------------------------------------------------

#ifndef BALL_SCORING_COMPONENTS_ADVELECTROSTATIC_H
#define BALL_SCORING_COMPONENTS_ADVELECTROSTATIC_H

#include <BALL/SCORING/COMPONENTS/electrostatic.h>


namespace BALL
{
  class BALL_EXPORT AdvancedElectrostatic : public Electrostatic
  {
    public :
      AdvancedElectrostatic(ScoringFunction* sf, Options& options, ForceFieldParameters& forcefield_parameters);

      AdvancedElectrostatic(ScoringFunction* sf, VanDerWaals* vdw);

      double calculateDielectricConstant(Vector3& atom1, Vector3& atom2);

    private:
      float protein_dielectric_constant_;

      float solvate_dielectric_constant_;
  };
}

#endif // BALL_SCORING_COMPONENTS_ADVELECTROSTATIC_H