OpenMS  2.8.0
MSPFile.h
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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 
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 
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:93
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:73
File adapter for MSP files (NIST spectra library)
Definition: MSPFile.h:55
void load(const String &filename, std::vector< PeptideIdentification > &ids, PeakMap &exp)
Loads a map from a MSPFile file.
void parseHeader_(const String &header, PeakSpectrum &spec)
reads the header information and stores it as metainfo in the spectrum
MSPFile()
Default constructor.
MSPFile(const MSPFile &rhs)
Copy constructor.
~MSPFile() override
Destructor.
void store(const String &filename, const PeakMap &exp) const
Stores a map in a MSPFile file.
MSPFile & operator=(const MSPFile &rhs)
assignment operator
The representation of a 1D spectrum.
Definition: MSSpectrum.h:70
A more convenient string class.
Definition: String.h:60
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47