SplineSpectrum.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2018.
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// $Maintainer: Lars Nilse $
// $Authors: Lars Nilse $
// --------------------------------------------------------------------------

#pragma once

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/DATASTRUCTURES/DRange.h>
#include <OpenMS/FILTERING/DATAREDUCTION/SplinePackage.h>

#include <vector>
#include <algorithm>
#include <iostream>

namespace OpenMS
{
class OPENMS_DLLAPI SplineSpectrum
{
  public:
    SplineSpectrum(const std::vector<double>& mz, const std::vector<double>& intensity);
    SplineSpectrum(const std::vector<double>& mz, const std::vector<double>& intensity, double scaling);

    SplineSpectrum(MSSpectrum& raw_spectrum);
    SplineSpectrum(MSSpectrum& raw_spectrum, double scaling);

    ~SplineSpectrum();

    double getMzMin() const;

    double getMzMax() const;

    size_t size() const;

    class OPENMS_DLLAPI Navigator
    {
      public:
        Navigator(const std::vector<SplinePackage> * packages, double mzMin, double mzMax);

        Navigator();

        ~Navigator();

        double eval(double mz);

        double getNextMz(double mz);

      private:
        
        const std::vector<SplinePackage> * packages_;

        size_t last_package_;

        double mz_min_;
        double mz_max_;
    };

    SplineSpectrum::Navigator getNavigator();

  private:

    SplineSpectrum();
    
    double mz_min_;
    double mz_max_;

    std::vector<SplinePackage> packages_;

    void init_(const std::vector<double>& mz, const std::vector<double>& intensity, double scaling);


};

}