PeakIntensityPredictor.h

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// $Maintainer: Timo Sachsenberg $
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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