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