FeatureFinderAlgorithmMetaboIdent::FeatureFinderMetaboIdentCompound Struct Reference

represents a compound in the assay library More...

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

Collaboration diagram for FeatureFinderAlgorithmMetaboIdent::FeatureFinderMetaboIdentCompound:

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 String &	getName () const
const String &	getFormula () 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