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)

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