PeakWidthEstimator.h

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// $Maintainer: Timo Sachsenberg $
// $Authors: Timo Sachsenberg $
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#ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_PEAKWIDTHESTIMATOR_H
#define OPENMS_TRANSFORMATIONS_FEATUREFINDER_PEAKWIDTHESTIMATOR_H


#include <OpenMS/KERNEL/MSExperiment.h>
#include <OpenMS/CONCEPT/ProgressLogger.h>

#include <boost/tuple/tuple.hpp>

namespace OpenMS
{
  class OPENMS_DLLAPI PeakWidthEstimator
  {
public:
    class Result
    {
public:
      DoubleReal c0, c1;

      Result() :
        c0(0), c1(0)
      {}

      Result(const DoubleReal c0, const DoubleReal c1) :
        c0(c0), c1(c1)
      {}

      DoubleReal operator()(const DoubleReal mz) const
      {
        return std::exp(c0 + c1 * std::log(mz));
      }

    };

    static void estimateSpectrumFWHM(const MSSpectrum<Peak1D> & input, std::set<boost::tuple<DoubleReal, DoubleReal, DoubleReal> > & fwhms);
    static Result estimateFWHM(const MSExperiment<Peak1D> & input);
  };
}

#endif // OPENMS_TRANSFORMATIONS_PEAKWIDTHESTIMATOR_H