OpenMS  2.4.0
SiriusMzTabWriter.h
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31 // $Maintainer: Oliver Alka $
32 // $Authors: Oliver Alka $
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34 
35 #pragma once
36 
37 namespace OpenMS
38 {
39  class OPENMS_DLLAPI SiriusMzTabWriter
40  {
41  public:
42 
72  {
75  int rank;
76  double score;
77  double treescore;
78  double isoscore;
81  };
82 
84  {
88  std::vector<SiriusAdapterHit> hits;
89  };
90 
92  {
93  std::vector<SiriusAdapterIdentification> identifications;
94  };
95 
99  static int extract_scan_index(const String & path);
100 
111  static void read(const std::vector<String>& sirius_output_paths,
112  const String& original_input_mzml,
113  const Size& top_n_hits,
114  MzTab& result);
115 
116  };
117 
118 }
119 
int explainedpeaks
Definition: SiriusMzTabWriter.h:79
double score
Definition: SiriusMzTabWriter.h:76
Definition: SiriusMzTabWriter.h:39
A more convenient string class.
Definition: String.h:57
Definition: SiriusMzTabWriter.h:91
int scan_number
Definition: SiriusMzTabWriter.h:86
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
double isoscore
Definition: SiriusMzTabWriter.h:78
OpenMS::String adduct
Definition: SiriusMzTabWriter.h:74
std::vector< SiriusAdapterHit > hits
Definition: SiriusMzTabWriter.h:88
double treescore
Definition: SiriusMzTabWriter.h:77
int scan_index
Definition: SiriusMzTabWriter.h:85
OpenMS::String feature_id
Definition: SiriusMzTabWriter.h:87
double explainedintensity
Definition: SiriusMzTabWriter.h:80
OpenMS::String formula
Definition: SiriusMzTabWriter.h:73
int rank
Definition: SiriusMzTabWriter.h:75
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
std::vector< SiriusAdapterIdentification > identifications
Definition: SiriusMzTabWriter.h:93
Internal structure used in SiriusAdapter that is used for the conversion of the sirius output to an m...
Definition: SiriusMzTabWriter.h:71
Data model of MzTab files. Please see the official MzTab specification at https://code.google.com/p/mztab/.
Definition: MzTab.h:699