ChromatogramSettings.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 2002-2023.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Andreas Bertsch $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/METADATA/InstrumentSettings.h>
#include <OpenMS/METADATA/AcquisitionInfo.h>
#include <OpenMS/METADATA/SourceFile.h>
#include <OpenMS/METADATA/Precursor.h>
#include <OpenMS/METADATA/Product.h>
#include <OpenMS/METADATA/DataProcessing.h>
 
#include <map>
#include <vector>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI ChromatogramSettings :
    public MetaInfoInterface
  {
 
public:
 
    enum ChromatogramType
    {
      MASS_CHROMATOGRAM = 0,
      TOTAL_ION_CURRENT_CHROMATOGRAM,
      SELECTED_ION_CURRENT_CHROMATOGRAM,
      BASEPEAK_CHROMATOGRAM,
      SELECTED_ION_MONITORING_CHROMATOGRAM,
      SELECTED_REACTION_MONITORING_CHROMATOGRAM,
      ELECTROMAGNETIC_RADIATION_CHROMATOGRAM,
      ABSORPTION_CHROMATOGRAM,
      EMISSION_CHROMATOGRAM,
      SIZE_OF_CHROMATOGRAM_TYPE // last entry!
    };
 
    static const char * const ChromatogramNames[SIZE_OF_CHROMATOGRAM_TYPE+1]; // avoid string[], since it gets copied onto heap on initialization
 
    ChromatogramSettings();
    ChromatogramSettings(const ChromatogramSettings &) = default;
    ChromatogramSettings(ChromatogramSettings&&) = default;
    virtual ~ChromatogramSettings();
 
    // Assignment operator
    ChromatogramSettings & operator=(const ChromatogramSettings &) = default;
    ChromatogramSettings& operator=(ChromatogramSettings&&) & = default;
 
    bool operator==(const ChromatogramSettings & rhs) const;
    bool operator!=(const ChromatogramSettings & rhs) const;
 
    const String & getNativeID() const;
    void setNativeID(const String & native_id);
 
    const String & getComment() const;
    void setComment(const String & comment);
 
    const InstrumentSettings & getInstrumentSettings() const;
    InstrumentSettings & getInstrumentSettings();
    void setInstrumentSettings(const InstrumentSettings & instrument_settings);
 
    const AcquisitionInfo & getAcquisitionInfo() const;
    AcquisitionInfo & getAcquisitionInfo();
    void setAcquisitionInfo(const AcquisitionInfo & acquisition_info);
 
    const SourceFile & getSourceFile() const;
    SourceFile & getSourceFile();
    void setSourceFile(const SourceFile & source_file);
 
    const Precursor & getPrecursor() const;
    Precursor & getPrecursor();
    void setPrecursor(const Precursor & precursor);
 
    const Product & getProduct() const;
    Product & getProduct();
    void setProduct(const Product & product);
 
    ChromatogramType getChromatogramType() const;
 
    void setChromatogramType(ChromatogramType type);
 
    void setDataProcessing(const std::vector< DataProcessingPtr > & data_processing);
 
    std::vector< DataProcessingPtr > & getDataProcessing();
 
    const std::vector< boost::shared_ptr<const DataProcessing > > getDataProcessing() const;
 
protected:
 
    String native_id_;
    String comment_;
    InstrumentSettings instrument_settings_;
    SourceFile source_file_;
    AcquisitionInfo acquisition_info_;
    Precursor precursor_;
    Product product_;
    std::vector< DataProcessingPtr > data_processing_;
    ChromatogramType type_;
  };
 
  OPENMS_DLLAPI std::ostream & operator<<(std::ostream & os, const ChromatogramSettings & spec);
 
} // namespace OpenMS