#include <OpenMS/CHEMISTRY/TheoreticalSpectrumGenerator.h>
TheoreticalSpectrumGenerator Parameters are explained on a separate page.
Public Member Functions | |
TheoreticalSpectrumGenerator & | operator= (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_ |
default constructor
TheoreticalSpectrumGenerator | ( | const TheoreticalSpectrumGenerator & | source | ) |
copy constructor
virtual ~TheoreticalSpectrumGenerator | ( | ) | [virtual] |
destructor
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
Generated Tue Apr 1 15:36:43 2008 -- using doxygen 1.5.4 | OpenMS / TOPP 1.1 |