29 #include "../massspectrum/massspectrum.h"
30 #include "../mzrange.h"
31 #include "../peptide/peptidefragmention.h"
32 #include "../peptide/peptidefragmentionlistbase.h"
34 #include "../exportinmportconfig.h"
54 unsigned int parent_charge,
56 const std::list<PeptideIon> &ion_type_list,
57 unsigned int max_isotope_number,
58 unsigned int max_isotope_rank);
61 std::vector<PeptideNaturalIsotopeAverageSp> v_peptideIsotopeList,
62 std::vector<PeptideFragmentIonSp> v_peptideIonList,
68 const std::list<PeakIonIsotopeMatch> &getPeakIonIsotopeMatchList()
const;
73 std::size_t size()
const;
77 void dropPeaksLackingMonoisotope();
80 virtual std::vector<DataPoint>::iterator
81 getBestPeakIterator(std::vector<DataPoint> &peak_list,
Class to represent a mass spectrum.
std::list< PeakIonIsotopeMatch >::const_iterator const_iterator
std::list< PeakIonIsotopeMatch > _peak_ion_match_list
PeptideIsotopeSpectrumMatch(const MassSpectrum &spectrum, const PeptideSp &peptide_sp, unsigned int parent_charge, PrecisionPtr precision, const std::list< PeptideIon > &ion_type_list, unsigned int max_isotope_number, unsigned int max_isotope_rank)
annotate spectrum with peptide ions and isotopes
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
std::shared_ptr< const Peptide > PeptideSp