76 unsigned int rank = 0;
94 std::vector<CsiAdapterHit>
hits;
112 static void read(
const std::vector<String>& sirius_output_paths,
113 const String& original_input_mzml,
114 const Size& top_n_hits,
OpenMS::String molecular_formula
Definition: CsiFingerIdMzTabWriter.h:77
std::vector< String > pubchemids
Definition: CsiFingerIdMzTabWriter.h:81
std::vector< CsiAdapterIdentification > identifications
Definition: CsiFingerIdMzTabWriter.h:99
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::String smiles
Definition: CsiFingerIdMzTabWriter.h:80
std::vector< CsiAdapterHit > hits
Definition: CsiFingerIdMzTabWriter.h:94
OpenMS::String feature_id
Definition: CsiFingerIdMzTabWriter.h:93
OpenMS::String inchi
Definition: CsiFingerIdMzTabWriter.h:75
Definition: CsiFingerIdMzTabWriter.h:86
Definition: CsiFingerIdMzTabWriter.h:97
Internal structure used in SiriusAdapter that is used for the conversion of the Csi:FingerID output t...
Definition: CsiFingerIdMzTabWriter.h:72
Data model of MzTab files. Please see the official MzTab specification at https://code.google.com/p/mztab/.
Definition: MzTab.h:855
std::vector< String > links
Definition: CsiFingerIdMzTabWriter.h:82
OpenMS::String name
Definition: CsiFingerIdMzTabWriter.h:79
A more convenient string class.
Definition: String.h:58
Definition: CsiFingerIdMzTabWriter.h:41
OpenMS::String inchikey2D
Definition: CsiFingerIdMzTabWriter.h:74
OpenMS::String native_id
Definition: CsiFingerIdMzTabWriter.h:90
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46