OpenMS  2.4.0
Public Member Functions | Static Public Member Functions | Protected Attributes | List of all members
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< DeconvPeakfDeconvPeaks
 
int fMinPeakGroupSize
 
double fTheta
 
int fScanNumber
 
bool fShortReportFlag
 

Constructor & Destructor Documentation

◆ Deisotoper() [1/2]

◆ Deisotoper() [2/2]

◆ ~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

◆ 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