Deisotoper Class Reference

#include <OpenMS/ANALYSIS/RNPXL/RNPxlDeisotoper.h>

Public Member Functions
	Deisotoper ()
	Deisotoper (CentroidData &)
virtual	~Deisotoper ()
std::list< DeconvPeak > &	getDeconvPeaks ()
void	go (CentroidData &)
void	cleanDeconvPeaks ()
int	getMinPeakGroupSize ()
double	getTheta ()
int	getScanNumber ()
bool	getShortReportFlag ()
void	setMinPeakGroupSize (int pMinPeakGroupSize)
void	setTheta (double pTheta)
void	setScanNumber (int pScanNumber)
void	setShortReportFlag (bool pShortReportFlag)

Static Public Member Functions
static void	deisotopeAndSingleCharge (MSSpectrum &spectra, double fragment_tolerance, bool fragment_unit_ppm, int min_charge=1, int max_charge=3, bool keep_only_deisotoped=false, unsigned int min_isopeaks=3, unsigned int max_isopeaks=10, bool make_single_charged=true, bool annotate_charge=false)

Protected Attributes
std::list< DeconvPeak >	fDeconvPeaks
int	fMinPeakGroupSize
double	fTheta
int	fScanNumber
bool	fShortReportFlag

Constructor & Destructor Documentation

Deisotoper() [1/2]

Deisotoper

(

)

Deisotoper() [2/2]

Deisotoper

(

CentroidData &

)

~Deisotoper()

virtual ~Deisotoper ( )

virtual

Member Function Documentation

cleanDeconvPeaks()

void cleanDeconvPeaks

(

)

deisotopeAndSingleCharge()

static void deisotopeAndSingleCharge ( MSSpectrum &  spectra, double  fragment_tolerance, bool  fragment_unit_ppm, int  min_charge = 1, int  max_charge = 3, bool  keep_only_deisotoped = false, unsigned int  min_isopeaks = 3, unsigned int  max_isopeaks = 10, bool  make_single_charged = true, bool  annotate_charge = false  )

static

Referenced by SimpleSearchEngine::preprocessSpectra_(), and RNPxlSearch::preprocessSpectra_().

getDeconvPeaks()

std::list<DeconvPeak>& getDeconvPeaks ( )

inline

getMinPeakGroupSize()

int getMinPeakGroupSize ( )

inline

getScanNumber()

int getScanNumber ( )

inline

getShortReportFlag()

bool getShortReportFlag ( )

inline

getTheta()

double getTheta ( )

inline

go()

void go

(

CentroidData &

)

setMinPeakGroupSize()

void setMinPeakGroupSize ( int  pMinPeakGroupSize )

inline

setScanNumber()

void setScanNumber ( int  pScanNumber )

inline

setShortReportFlag()

void setShortReportFlag ( bool  pShortReportFlag )

inline

setTheta()

void setTheta ( double  pTheta )

inline

Member Data Documentation

fDeconvPeaks

std::list<DeconvPeak> fDeconvPeaks

protected

fMinPeakGroupSize

int fMinPeakGroupSize

protected

fScanNumber

int fScanNumber

protected

fShortReportFlag

bool fShortReportFlag

protected

fTheta

double fTheta

protected