89 std::vector<CsiAdapterHit>
hits;
107 static void read(
const std::vector<String> & sirius_output_paths,
108 const String & original_input_mzml,
109 const Size & top_n_hits,
A more convenient string class.
Definition: String.h:57
int scan_index
Definition: CsiFingerIdMzTabWriter.h:86
Definition: CsiFingerIdMzTabWriter.h:92
int scan_number
Definition: CsiFingerIdMzTabWriter.h:87
OpenMS::String molecular_formula
Definition: CsiFingerIdMzTabWriter.h:75
Definition: CsiFingerIdMzTabWriter.h:39
std::vector< CsiAdapterHit > hits
Definition: CsiFingerIdMzTabWriter.h:89
OpenMS::String feature_id
Definition: CsiFingerIdMzTabWriter.h:88
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Definition: CsiFingerIdMzTabWriter.h:84
double score
Definition: CsiFingerIdMzTabWriter.h:76
std::vector< String > links
Definition: CsiFingerIdMzTabWriter.h:80
Internal structure used in SiriusAdapter that is used for the conversion of the Csi:FingerID output t...
Definition: CsiFingerIdMzTabWriter.h:70
std::vector< String > pubchemids
Definition: CsiFingerIdMzTabWriter.h:79
OpenMS::String smiles
Definition: CsiFingerIdMzTabWriter.h:78
unsigned int rank
Definition: CsiFingerIdMzTabWriter.h:74
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::String inchikey2D
Definition: CsiFingerIdMzTabWriter.h:72
OpenMS::String name
Definition: CsiFingerIdMzTabWriter.h:77
std::vector< CsiAdapterIdentification > identifications
Definition: CsiFingerIdMzTabWriter.h:94
OpenMS::String inchi
Definition: CsiFingerIdMzTabWriter.h:73
Data model of MzTab files. Please see the official MzTab specification at https://code.google.com/p/mztab/.
Definition: MzTab.h:699