OpenMS  3.0.0
MSPFile.h
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31 // $Maintainer: Timo Sachsenberg $
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34 
35 #pragma once
36 
40 
41 #include <vector>
42 
43 namespace OpenMS
44 {
53  class OPENMS_DLLAPI MSPFile :
54  public DefaultParamHandler
55  {
56 public:
57 
61  MSPFile();
63 
65  MSPFile(const MSPFile & rhs);
66 
68  ~MSPFile() override;
70 
72  MSPFile & operator=(const MSPFile & rhs);
73 
85  void load(const String & filename, std::vector<PeptideIdentification> & ids, PeakMap & exp);
86 
92  void store(const String & filename, const PeakMap & exp) const;
93 
94 protected:
95 
97  void parseHeader_(const String & header, PeakSpectrum & spec);
98  };
99 
100 } // namespace OpenMS
101 
DefaultParamHandler.h
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:70
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::MSPFile
File adapter for MSP files (NIST spectra library)
Definition: MSPFile.h:53
PeptideIdentification.h
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
StandardTypes.h