rescoring1D.h

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

#ifndef BALL_SCORING_FUNCTIONS_RESCORING1D_H
#define BALL_SCORING_FUNCTIONS_RESCORING1D_H

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

namespace BALL
{
  class BALL_EXPORT Rescoring1D : public Rescoring
  {
    public:
      Rescoring1D(AtomContainer& receptor, AtomContainer& reference_ligand, Options& options, String free_energy_label, ScoringFunction* sf);

    protected:
      void setup_();
      const Protein* protein_;
      void generateScoreContributions_(vector<vector<double> >* matrix, vector<double>* v);
  };
}

#endif