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SpectrumAccessOpenMS.h
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34 
35 #ifndef OPENMS_ANALYSIS_OPENSWATH_DATAACCESS_SPECTRUMACCESSOPENMS_H
36 #define OPENMS_ANALYSIS_OPENSWATH_DATAACCESS_SPECTRUMACCESSOPENMS_H
37 
42 
44 
45 #include <boost/shared_ptr.hpp>
46 
47 namespace OpenMS
48 {
53  class OPENMS_DLLAPI SpectrumAccessOpenMS :
55  {
56 public:
60 
62  explicit SpectrumAccessOpenMS(boost::shared_ptr<MSExperimentType> ms_experiment);
63 
66 
77 
85  boost::shared_ptr<OpenSwath::ISpectrumAccess> lightClone() const;
86 
87  OpenSwath::SpectrumPtr getSpectrumById(int id);
88 
89  OpenSwath::SpectrumMeta getSpectrumMetaById(int id) const;
90 
91  std::vector<std::size_t> getSpectraByRT(double RT, double deltaRT) const;
92 
93  size_t getNrSpectra() const;
94 
95  SpectrumSettings getSpectraMetaInfo(int id) const;
96 
97  OpenSwath::ChromatogramPtr getChromatogramById(int id);
98 
99  // FEATURE ?
100  // ChromatogramPtr getChromatogramByPrecursorMZ(double mz, double deltaMZ);
101 
102  size_t getNrChromatograms() const;
103 
104  ChromatogramSettings getChromatogramMetaInfo(int id) const;
105 
106  std::string getChromatogramNativeID(int id) const;
107 
108 private:
109  boost::shared_ptr<MSExperimentType> ms_experiment_;
110 
111  };
112 } //end namespace OpenMS
113 
114 #endif
Identifying information for a spectrum.
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:159
OpenMS::PeakMap MSExperimentType
Definition: SpectrumAccessOpenMS.h:57
The representation of a chromatogram.
Definition: MSChromatogram.h:55
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:244
Representation of 1D spectrum settings.
Definition: SpectrumSettings.h:64
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::MSChromatogram MSChromatogramType
Definition: SpectrumAccessOpenMS.h:59
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
An implementation of the OpenSWATH Spectrum Access interface using OpenMS.
Definition: SpectrumAccessOpenMS.h:53
boost::shared_ptr< Chromatogram > ChromatogramPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:156
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:82
Representation of chromatogram settings, e.g. SRM/MRM chromatograms.
Definition: ChromatogramSettings.h:59
boost::shared_ptr< MSExperimentType > ms_experiment_
Definition: SpectrumAccessOpenMS.h:109
OpenMS::MSSpectrum MSSpectrumType
Definition: SpectrumAccessOpenMS.h:58
The interface of a mass spectrometry experiment.
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:51

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:04 using doxygen 1.8.13