PeakIntensityPredictor.h

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// $Maintainer: Timo Sachsenberg $
// $Authors: $
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#pragma once
 
#include <OpenMS/CHEMISTRY/AASequence.h>
#include <OpenMS/ANALYSIS/PIP/LocalLinearMap.h>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI PeakIntensityPredictor
  {
 
public:
 
 
    PeakIntensityPredictor();
    virtual ~PeakIntensityPredictor();
 
    double predict(const AASequence & sequence);
 
    double predict(const AASequence & sequence, std::vector<double> & add_info);
 
    std::vector<double> predict(const std::vector<AASequence> & sequences);
 
    std::vector<double> predict(const std::vector<AASequence> & sequences, std::vector<std::vector<double> > & add_info);
 
private:
 
    double map_(const std::vector<double> & data);
    Size findWinner_(const std::vector<double> & data);
    std::vector<double> calculateAddInfo_(const std::vector<double> & data);
 
    std::vector<double> getPropertyVector_(const AASequence & sequence);
 
    LocalLinearMap llm_;
 
    PeakIntensityPredictor(const PeakIntensityPredictor & llmModel);
    PeakIntensityPredictor & operator=(const PeakIntensityPredictor & peakIntensityPredictor);
 
  };
 
} // namespace OpenMS