LightCompound Struct Reference

#include <OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/TransitionExperiment.h>

Public Member Functions
	LightCompound ()
bool	isPeptide () const
void	setChargeState (int ch)
int	getChargeState () const

Public Attributes
double	rt
int	charge
std::string	sequence
std::vector< std::string >	protein_refs
std::string	peptide_group_label
std::string	id
std::string	sum_formula
std::string	compound_name
std::vector< LightModification >	modifications

Constructor & Destructor Documentation

LightCompound()

LightCompound ( )

inline

Member Function Documentation

getChargeState()

int getChargeState ( ) const

inline

isPeptide()

bool isPeptide ( ) const

inline

setChargeState()

void setChargeState ( int  ch )

inline

Member Data Documentation

charge

int charge

Referenced by OpenSwathTSVWriter::prepareLine().

compound_name

std::string compound_name

Referenced by OpenMS::ChromatogramExtractor::extract_id_< OpenSwath::LightTargetedExperiment >().

id

std::string id

modifications

std::vector<LightModification> modifications

Referenced by OpenSwathTSVWriter::prepareLine().

peptide_group_label

std::string peptide_group_label

Referenced by OpenSwathTSVWriter::prepareLine().

protein_refs

std::vector<std::string> protein_refs

Referenced by OpenSwathTSVWriter::prepareLine().

rt

double rt

sequence

std::string sequence

Referenced by OpenMS::ChromatogramExtractor::extract_id_< OpenSwath::LightTargetedExperiment >(), and OpenSwathTSVWriter::prepareLine().

sum_formula

std::string sum_formula