SiriusFragmentAnnotation.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 2002-2018.
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// $Maintainer: Oliver Alka $
// $Authors: Oliver Alka $
// --------------------------------------------------------------------------

#pragma once

#include <OpenMS/KERNEL/MSSpectrum.h>

namespace OpenMS
{
  class OPENMS_DLLAPI SiriusFragmentAnnotation
      {
      public:

          static void extractSiriusFragmentAnnotationMapping(const String& path_to_sirius_workspace, MSSpectrum& msspectrum_to_fill, bool use_exact_mass = false);

      protected:

          static OpenMS::String extractNativeIDFromSiriusMS_(const OpenMS::String& path_to_sirius_workspace);

          static void extractAnnotationFromSiriusFile_(const String& path_to_sirius_workspace, MSSpectrum& msspectrum_to_fill, bool use_exact_mass = false); 
  };
} // namespace OpenMS