MassDecompositionAlgorithm.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2017.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Andreas Bertsch $
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#ifndef OPENMS_CHEMISTRY_MASSDECOMPOSITION_MASSDECOMPOSITIONALGORITHM_H
#define OPENMS_CHEMISTRY_MASSDECOMPOSITION_MASSDECOMPOSITIONALGORITHM_H

#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();

    virtual ~MassDecompositionAlgorithm();

    void getDecompositions(std::vector<MassDecomposition> & decomps, double weight);

protected:

    void updateMembers_();

    ims::IMSAlphabet * alphabet_;

    ims::RealMassDecomposer * decomposer_;

private:

    // will not be implemented
    MassDecompositionAlgorithm(const MassDecompositionAlgorithm & deco);

    MassDecompositionAlgorithm & operator=(const MassDecompositionAlgorithm & rhs);
  };

} // namespace OpenMS

#endif // OPENMS_CHEMISTRY_MASSDECOMPOSITION_MASSDECOMPOSITIONALGORITHM_H