MassDecompositionAlgorithm.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.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Andreas Bertsch $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
#include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/MassDecomposition.h>
 
// ims includes
#ifdef OPENMS_COMPILER_MSVC
#pragma warning( push )
#pragma warning( disable : 4290 4267)
#endif
 
#include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/RealMassDecomposer.h>
#include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/IMSAlphabet.h>
#include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/Weights.h>
#ifdef OPENMS_COMPILER_MSVC
#pragma warning( pop )
#endif
 
#include <vector>
 
namespace OpenMS
{
  class OPENMS_DLLAPI MassDecompositionAlgorithm :
    public DefaultParamHandler
  {
public:
 
    MassDecompositionAlgorithm();
 
    ~MassDecompositionAlgorithm() override;
 
    void getDecompositions(std::vector<MassDecomposition> & decomps, double weight);
 
protected:
 
    void updateMembers_() override;
 
    ims::IMSAlphabet * alphabet_;
 
    ims::RealMassDecomposer * decomposer_;
 
private:
 
    // will not be implemented
    MassDecompositionAlgorithm(const MassDecompositionAlgorithm & deco);
 
    MassDecompositionAlgorithm & operator=(const MassDecompositionAlgorithm & rhs);
  };
 
} // namespace OpenMS