libpappsomspp
Library for mass spectrometry
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34 #include "../../massspectrum/massspectrum.h"
35 #include "../../peptide/peptide.h"
47 unsigned int size)
const;
64 const std::vector<PeptideIon> &ion_list);
75 unsigned int parent_charge);
unsigned int m_totalMatchedIons
double pappso_double
A type definition for doubles.
#define PEPTIDE_ION_TYPE_COUNT
only usefull for inernal usefull DO not change this value : it is used to define static array size
bool computeXtandemHyperscore(const MassSpectrum &spectrum, const Peptide &peptide, unsigned int parent_charge)
PrecisionPtr mp_precision
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Class to represent a mass spectrum.
bool m_isRefineSpectrumSynthesis
static AaFactorMap m_aaIonFactorBb
XtandemHyperscoreBis(bool refine_spectrum_synthesis, PrecisionPtr precision, const std::vector< PeptideIon > &ion_list)
PeptideIon
PeptideIon enum defines all types of ions (Nter or Cter)
static AaFactorMap m_aaIonFactorY
std::vector< PeptideIon > m_ionList
pappso_double getHyperscore() const
unsigned int getXtandemPredictedIonIntensityFactor(const QString &sequence, PeptideIon ion_type, unsigned int size) const
std::map< char, pappso_double > AaFactorMap
unsigned int m_ionCount[PEPTIDE_ION_TYPE_COUNT]
unsigned int getMatchedIons(PeptideIon ion_type) const
unsigned int getTotalMatchedIons() const
pappso_double m_protoHyperscore