Normalizer.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
//
// This software is released under a three-clause BSD license:
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//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
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//    may be used to endorse or promote products derived from this software
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// For a full list of authors, refer to the file AUTHORS.
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// --------------------------------------------------------------------------
// $Maintainer: Mathias Walzer $
// $Authors: Andreas Bertsch $
// --------------------------------------------------------------------------
//
#pragma once
 
#include <OpenMS/KERNEL/StandardTypes.h>
 
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
 
#include <OpenMS/KERNEL/MSSpectrum.h>
#include <OpenMS/KERNEL/MSExperiment.h>
 
#include <vector>
 
namespace OpenMS
{
  class OPENMS_DLLAPI Normalizer :
    public DefaultParamHandler
  {
public:
 
    // @name Constructors and Destructors
    // @{
    Normalizer();
    ~Normalizer() override;
 
    Normalizer & operator=(const Normalizer & source);
    Normalizer(const Normalizer & source);
 
    // @}
 
    // @name Accessors
    // @{
 
    template <typename SpectrumType>
    void filterSpectrum(SpectrumType& spectrum) const
    {
      if (spectrum.empty()) return;
 
      typedef typename SpectrumType::Iterator Iterator;
      typedef typename SpectrumType::ConstIterator ConstIterator;
 
      double divisor(0);
      // find divisor      
      if (method_ == "to_one")
      { // normalizes the max peak to 1 and the remaining peaks to values relative to max
        divisor = spectrum.begin()->getIntensity(); // safety measure: if all intensities are negative, divisor would stay 0 (as constructed)
        for (ConstIterator it = spectrum.begin(); it != spectrum.end(); ++it)
        {
          if (divisor < it->getIntensity()) divisor = it->getIntensity();
        }
      }
      else if (method_ == "to_TIC")
      { // normalizes the peak intensities to the TIC
        for (ConstIterator it = spectrum.begin(); it != spectrum.end(); ++it)
        {
          divisor += it->getIntensity();
        }
      }
      // method unknown
      else
      {
        throw Exception::InvalidValue(__FILE__, __LINE__, OPENMS_PRETTY_FUNCTION, "Method not known", method_);
      }
 
      // normalize
      for (Iterator it = spectrum.begin(); it != spectrum.end(); ++it)
      {
        it->setIntensity(it->getIntensity() / divisor);
      }
 
      return;
 
    }
 
    void filterPeakSpectrum(PeakSpectrum & spectrum) const;
    void filterPeakMap(PeakMap & exp) const;
 
    void updateMembers_() override;
 
    // @}
 
private:
    String method_;
  };
 
 
}