rescoring4D.h

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

#ifndef BALL_SCORING_FUNCTIONS_RESCORING4D_H
#define BALL_SCORING_FUNCTIONS_RESCORING4D_H

#include <BALL/SCORING/FUNCTIONS/rescoring3D.h>


namespace BALL
{
  class BALL_EXPORT Rescoring4D : public Rescoring3D
  {
    public:
      Rescoring4D(AtomContainer& receptor, AtomContainer& reference_ligand, Options& options, String free_energy_label, ScoringFunction* sf);

    protected:
      void generateAtomScoreContributions_(const Atom* atom, vector<double>& contributions);
  };
}

#endif // BALL_SCORING_FUNCTIONS_RESCORING4D_H