OpenMS  2.8.0
Public Member Functions | Public Attributes | List of all members
FeatureFinderAlgorithmMetaboIdent::FeatureFinderMetaboIdentCompound Struct Reference

represents a compound in the assay library More...

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmMetaboIdent.h>

Collaboration diagram for FeatureFinderAlgorithmMetaboIdent::FeatureFinderMetaboIdentCompound:
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Public Member Functions

 FeatureFinderMetaboIdentCompound (const String &_name, const String &_formula, double _mass, const std::vector< int > &_charges, const std::vector< double > &_rts, const std::vector< double > &_rt_ranges, const std::vector< double > &_iso_distrib)
 

Public Attributes

String name
 
String formula
 
double mass
 
std::vector< int > charges
 
std::vector< double > rts
 
std::vector< double > rt_ranges
 
std::vector< double > iso_distrib
 

Detailed Description

represents a compound in the assay library

Constructor & Destructor Documentation

◆ FeatureFinderMetaboIdentCompound()

FeatureFinderMetaboIdentCompound ( const String _name,
const String _formula,
double  _mass,
const std::vector< int > &  _charges,
const std::vector< double > &  _rts,
const std::vector< double > &  _rt_ranges,
const std::vector< double > &  _iso_distrib 
)
inline

Member Data Documentation

◆ charges

std::vector<int> charges

◆ formula

String formula

◆ iso_distrib

std::vector<double> iso_distrib

◆ mass

double mass

◆ name

String name

◆ rt_ranges

std::vector<double> rt_ranges

◆ rts

std::vector<double> rts