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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 
41 
43 
44 #include <boost/shared_ptr.hpp>
45 
46 namespace OpenMS
47 {
52  class OPENMS_DLLAPI SpectrumAccessOpenMS :
54  {
55 public:
59 
61  explicit SpectrumAccessOpenMS(boost::shared_ptr<MSExperimentType> ms_experiment);
62 
65 
68 
70  boost::shared_ptr<OpenSwath::ISpectrumAccess> lightClone() const;
71 
72  OpenSwath::SpectrumPtr getSpectrumById(int id);
73 
74  OpenSwath::SpectrumMeta getSpectrumMetaById(int id) const;
75 
76  std::vector<std::size_t> getSpectraByRT(double RT, double deltaRT) const;
77 
78  size_t getNrSpectra() const;
79 
80  SpectrumSettings getSpectraMetaInfo(int id) const;
81 
82  OpenSwath::ChromatogramPtr getChromatogramById(int id);
83 
84  // FEATURE ?
85  // ChromatogramPtr getChromatogramByPrecursorMZ(double mz, double deltaMZ);
86 
87  size_t getNrChromatograms() const;
88 
89  ChromatogramSettings getChromatogramMetaInfo(int id) const;
90 
91  std::string getChromatogramNativeID(int id) const;
92 
93 private:
94  boost::shared_ptr<MSExperimentType> ms_experiment_;
95 
96  };
97 } //end namespace OpenMS
98 
99 #endif
Identifying information for a spectrum.
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:157
The representation of a chromatogram.
Definition: MSChromatogram.h:52
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:232
Representation of 1D spectrum settings.
Definition: SpectrumSettings.h:64
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
An implementation of the OpenSWATH Spectrum Access interface using OpenMS.
Definition: SpectrumAccessOpenMS.h:52
OpenMS::MSSpectrum< Peak1D > MSSpectrumType
Definition: SpectrumAccessOpenMS.h:57
boost::shared_ptr< Chromatogram > ChromatogramPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:154
Representation of chromatogram settings, e.g. SRM/MRM chromatograms.
Definition: ChromatogramSettings.h:59
boost::shared_ptr< MSExperimentType > ms_experiment_
Definition: SpectrumAccessOpenMS.h:94
The interface of a mass spectrometry experiment.
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:51
OpenMS::MSChromatogram< ChromatogramPeak > MSChromatogramType
Definition: SpectrumAccessOpenMS.h:58
OpenMS::MSExperiment< Peak1D > MSExperimentType
Definition: SpectrumAccessOpenMS.h:56

OpenMS / TOPP release 2.0.0 Documentation generated on Tue Nov 1 2016 16:34:46 using doxygen 1.8.11