SpectrumAlignmentScore.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2021.
//
// This software is released under a three-clause BSD license:
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//  * Redistributions in binary form must reproduce the above copyright
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//    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"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: $
// --------------------------------------------------------------------------
//
#pragma once
 
#include <OpenMS/KERNEL/MSSpectrum.h>
#include <OpenMS/KERNEL/Peak1D.h>
#include <OpenMS/COMPARISON/SPECTRA/SpectrumAlignment.h>
#include <OpenMS/DATASTRUCTURES/ListUtils.h>
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/COMPARISON/SPECTRA/PeakSpectrumCompareFunctor.h>
 
#include <boost/math/special_functions/erf.hpp>
#include <cmath>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI SpectrumAlignmentScore :
    public PeakSpectrumCompareFunctor
  {
public:
 
    // @name Constructors and Destructors
    // @{
    SpectrumAlignmentScore();
 
    SpectrumAlignmentScore(const SpectrumAlignmentScore & source);
 
    ~SpectrumAlignmentScore() override;
    // @}
 
    // @name Operators
    // @{
    SpectrumAlignmentScore & operator=(const SpectrumAlignmentScore & source);
 
    double operator()(const PeakSpectrum & spec1, const PeakSpectrum & spec2) const override;
 
    double operator()(const PeakSpectrum & spec) const override;
    // @}
 
    // @name Accessors
    // @{
    static PeakSpectrumCompareFunctor * create() { return new SpectrumAlignmentScore(); }
 
    static const String getProductName()
    {
      return "SpectrumAlignmentScore";
    }
 
    // @}
 
  };
 
}