timsframesmsrunreader.h

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/**
 * \file pappsomspp/msrun/private/timsmsrunreader.h
 * \date 05/09/2019
 * \author Olivier Langella
 * \brief MSrun file reader for native Bruker TimsTOF raw data
 */
 
/*******************************************************************************
 * Copyright (c) 2019 Olivier Langella <Olivier.Langella@u-psud.fr>.
 *
 * This file is part of the PAPPSOms++ library.
 *
 *     PAPPSOms++ is free software: you can redistribute it and/or modify
 *     it under the terms of the GNU General Public License as published by
 *     the Free Software Foundation, either version 3 of the License, or
 *     (at your option) any later version.
 *
 *     PAPPSOms++ is distributed in the hope that it will be useful,
 *     but WITHOUT ANY WARRANTY; without even the implied warranty of
 *     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *     GNU General Public License for more details.
 *
 *     You should have received a copy of the GNU General Public License
 *     along with PAPPSOms++.  If not, see <http://www.gnu.org/licenses/>.
 *
 ******************************************************************************/
 
 
#pragma once
 
#include "pappsomspp/core/msrun/private/timsmsrunreaderbase.h"
 
namespace pappso
{
 
// This class is aimed at processing the frames in a Bruker timsTOF data set. In
// this processing of the data, we skip the ion mobility scans altogether. One
// main aim of this processing is to compute the TIC chromatogram from the
// binary data file and not using the TIC chromatogram that is stored in the DB
// file.
 
class PMSPP_LIB_DECL TimsFramesMsRunReader : public TimsMsRunReaderBase
{
  friend class MsFileAccessor;
  /**
   * @todo write docs
   */
  public:
  TimsFramesMsRunReader(MsRunIdCstSPtr &msrun_id_csp);
  virtual ~TimsFramesMsRunReader();
 
  virtual MassSpectrumSPtr massSpectrumSPtr(std::size_t spectrum_index) override;
  virtual MassSpectrumCstSPtr massSpectrumCstSPtr(std::size_t spectrum_index) override;
 
  virtual QualifiedMassSpectrum qualifiedMassSpectrum(std::size_t spectrum_index,
                                                      bool want_binary_data = true) const override;
 
  virtual void readSpectrumCollection(SpectrumCollectionHandlerInterface &handler) override;
 
  virtual void readSpectrumCollection2(const MsRunReadConfig &config,
                                       SpectrumCollectionHandlerInterface &handler) override;
  virtual void readSpectrumCollectionByMsLevel(SpectrumCollectionHandlerInterface &handler,
                                               unsigned int ms_level) override;
 
 
  virtual std::size_t spectrumListSize() const override;
 
 
  virtual Trace computeTicChromatogram();
 
  virtual std::size_t
  spectrumStringIdentifier2SpectrumIndex(const QString &spectrum_identifier) override;
};
 
typedef std::shared_ptr<TimsFramesMsRunReader> TimsFramesMsRunReaderSPtr;
typedef std::shared_ptr<const TimsFramesMsRunReader> TimsFramesMsRunReaderCstSPtr;
 
} // namespace pappso