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TheoreticalSpectrumGenerator Class Reference
[Chemistry]

#include <OpenMS/CHEMISTRY/TheoreticalSpectrumGenerator.h>

Inheritance diagram for TheoreticalSpectrumGenerator:

DefaultParamHandler

List of all members.


Detailed Description

Generates theoretical spectra with various options.

TheoreticalSpectrumGenerator Parameters are explained on a separate page.

Public Member Functions

TheoreticalSpectrumGeneratoroperator= (const TheoreticalSpectrumGenerator &tsg)
 assignment operator
Constructors and Destructors
 TheoreticalSpectrumGenerator ()
 default constructor
 TheoreticalSpectrumGenerator (const TheoreticalSpectrumGenerator &source)
 copy constructor
virtual ~TheoreticalSpectrumGenerator ()
 destructor
Acessors
void getSpectrum (PeakSpectrum &spec, const AASequence &peptide, Int charge=1)
 returns a spectrum with b and y peaks
void addPeaks (PeakSpectrum &spectrum, const AASequence &peptide, Residue::ResidueType res_type, Int charge=1)
 adds peaks to a spectrum of the given ion-type, peptide, charge, and intensity
void addPrecursorPeaks (PeakSpectrum &spec, const AASequence &peptide, Int charge=1)
 adds the precursor peaks to the spectrum

Private Attributes

Peak1D p_


Constructor & Destructor Documentation

TheoreticalSpectrumGenerator (  ) 

default constructor

TheoreticalSpectrumGenerator ( const TheoreticalSpectrumGenerator source  ) 

copy constructor

virtual ~TheoreticalSpectrumGenerator (  )  [virtual]

destructor


Member Function Documentation

TheoreticalSpectrumGenerator& operator= ( const TheoreticalSpectrumGenerator tsg  ) 

assignment operator

void getSpectrum ( PeakSpectrum spec,
const AASequence peptide,
Int  charge = 1 
)

returns a spectrum with b and y peaks

void addPeaks ( PeakSpectrum spectrum,
const AASequence peptide,
Residue::ResidueType  res_type,
Int  charge = 1 
)

adds peaks to a spectrum of the given ion-type, peptide, charge, and intensity

void addPrecursorPeaks ( PeakSpectrum spec,
const AASequence peptide,
Int  charge = 1 
)

adds the precursor peaks to the spectrum


Member Data Documentation

Peak1D p_ [private]


The documentation for this class was generated from the following file:
Generated Tue Apr 1 15:36:43 2008 -- using doxygen 1.5.4 OpenMS / TOPP 1.1