OpenMS
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)
 
const StringgetName () const
 
const StringgetFormula () const
 
double getMass () const
 
const std::vector< int > & getCharges () const
 
const std::vector< double > & getRTs () const
 
const std::vector< double > getRTRanges () const
 
const std::vector< double > & getIsotopeDistribution () const
 

Private 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 Function Documentation

◆ getCharges()

const std::vector<int>& getCharges ( ) const
inline

◆ getFormula()

const String& getFormula ( ) const
inline

◆ getIsotopeDistribution()

const std::vector<double>& getIsotopeDistribution ( ) const
inline

◆ getMass()

double getMass ( ) const
inline

◆ getName()

const String& getName ( ) const
inline

◆ getRTRanges()

const std::vector<double> getRTRanges ( ) const
inline

◆ getRTs()

const std::vector<double>& getRTs ( ) const
inline

Member Data Documentation

◆ charges_

std::vector<int> charges_
private

◆ formula_

String formula_
private

◆ iso_distrib_

std::vector<double> iso_distrib_
private

◆ mass_

double mass_
private

◆ name_

String name_
private

◆ rt_ranges_

std::vector<double> rt_ranges_
private

◆ rts_

std::vector<double> rts_
private