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SpectrumAccessOpenMSInMemory.h
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34 
35 #ifndef OPENMS_ANALYSIS_OPENSWATH_DATAACCESS_SPECTRUMACCESSOPENMSINMEMORY_H
36 #define OPENMS_ANALYSIS_OPENSWATH_DATAACCESS_SPECTRUMACCESSOPENMSINMEMORY_H
37 
42 
44 
45 #include <boost/shared_ptr.hpp>
46 #include <algorithm> // std::lower_bound, std::upper_bound, std::sort
47 
48 namespace OpenMS
49 {
75  class OPENMS_DLLAPI SpectrumAccessOpenMSInMemory :
77  {
78 public:
82 
85 
88 
91 
93  boost::shared_ptr<OpenSwath::ISpectrumAccess> lightClone() const;
94 
95  OpenSwath::SpectrumPtr getSpectrumById(int id);
96 
97  OpenSwath::SpectrumMeta getSpectrumMetaById(int id) const;
98 
99  std::vector<std::size_t> getSpectraByRT(double RT, double deltaRT) const;
100 
101  size_t getNrSpectra() const;
102 
103  OpenSwath::ChromatogramPtr getChromatogramById(int id);
104 
105  size_t getNrChromatograms() const;
106 
107  std::string getChromatogramNativeID(int id) const;
108 
109 private:
110 
111  std::vector< OpenSwath::SpectrumPtr > spectra_;
112  std::vector< OpenSwath::SpectrumMeta > spectra_meta_;
113 
114  std::vector< OpenSwath::ChromatogramPtr > chromatograms_;
115  std::vector< std::string > chromatogram_ids_;
116 
117  };
118 
119 } //end namespace OpenMS
120 
121 #endif // OPENMS_ANALYSIS_OPENSWATH_DATAACCESS_SPECTRUMACCESSOPENMSINMEMORY_H
Identifying information for a spectrum.
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:159
The representation of a chromatogram.
Definition: MSChromatogram.h:55
std::vector< OpenSwath::ChromatogramPtr > chromatograms_
Definition: SpectrumAccessOpenMSInMemory.h:114
std::vector< OpenSwath::SpectrumMeta > spectra_meta_
Definition: SpectrumAccessOpenMSInMemory.h:112
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:244
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
boost::shared_ptr< Chromatogram > ChromatogramPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:156
OpenMS::MSSpectrum MSSpectrumType
Definition: SpectrumAccessOpenMSInMemory.h:80
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:82
OpenMS::PeakMap MSExperimentType
Definition: SpectrumAccessOpenMSInMemory.h:79
An implementation of the OpenSWATH Spectrum Access interface completely in memory.
Definition: SpectrumAccessOpenMSInMemory.h:75
The interface of a mass spectrometry experiment.
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:51
std::vector< std::string > chromatogram_ids_
Definition: SpectrumAccessOpenMSInMemory.h:115
std::vector< OpenSwath::SpectrumPtr > spectra_
Definition: SpectrumAccessOpenMSInMemory.h:111
OpenMS::MSChromatogram MSChromatogramType
Definition: SpectrumAccessOpenMSInMemory.h:81

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