#include <peptideisotopespectrummatch.h>
◆ const_iterator
◆ PeptideIsotopeSpectrumMatch() [1/3]
pappso::PeptideIsotopeSpectrumMatch::PeptideIsotopeSpectrumMatch |
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const MassSpectrum & |
spectrum, |
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const PeptideSp & |
peptide_sp, |
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unsigned int |
parent_charge, |
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PrecisionPtr |
precision, |
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std::list< PeptideIon > |
ion_list, |
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unsigned int |
max_isotope_number, |
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unsigned int |
max_isotope_rank |
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annotate spectrum with peptide ions and isotopes
- Parameters
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spectrum | the spectrum to annotate |
peptide_sp | peptide to fragment |
parent_charge | charge of the ion parent |
precision | MS2 mass measurement precision |
ion_list | ion types to compute fragments |
max_isotope_number | maximum isotope number to compute (0 means only monoisotope is computed) |
max_isotope_rank | maximum rank inside isotope level to compute |
◆ PeptideIsotopeSpectrumMatch() [2/3]
Definition at line 116 of file peptideisotopespectrummatch.cpp.
123 qDebug() <<
"PeptideIsotopeSpectrumMatch::PeptideIsotopeSpectrumMatch begin";
124 if(v_peptideIsotopeList.size() != v_peptideIonList.size())
126 throw PappsoException(
128 "v_peptideIsotopeList.size() %1 != v_peptideIonList.size() %2")
129 .arg(v_peptideIsotopeList.size())
130 .arg(v_peptideIonList.size()));
133 auto isotopeIt = v_peptideIsotopeList.begin();
134 auto ionIt = v_peptideIonList.begin();
135 std::list<DataPoint> peak_list(spectrum.begin(), spectrum.end());
137 while(isotopeIt != v_peptideIsotopeList.end())
139 std::list<DataPoint>::iterator it_peak =
141 if(it_peak != peak_list.end())
144 PeakIonIsotopeMatch(*it_peak, *isotopeIt, *ionIt));
145 peak_list.erase(it_peak);
150 qDebug() <<
"PeptideIsotopeSpectrumMatch::PeptideIsotopeSpectrumMatch end";
References _peak_ion_match_list, and getBestPeakIterator().
◆ PeptideIsotopeSpectrumMatch() [3/3]
◆ ~PeptideIsotopeSpectrumMatch()
pappso::PeptideIsotopeSpectrumMatch::~PeptideIsotopeSpectrumMatch |
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◆ begin()
◆ end()
◆ getBestPeakIterator()
Definition at line 167 of file peptideisotopespectrummatch.cpp.
171 qDebug() <<
"PeptideIsotopeSpectrumMatch::getBestPeakIterator begin";
172 std::list<DataPoint>::iterator itpeak = peak_list.begin();
173 std::list<DataPoint>::iterator itend = peak_list.end();
174 std::list<DataPoint>::iterator itselect = peak_list.end();
178 while(itpeak != itend)
180 if(ion.matchPeak(itpeak->x))
182 if(itpeak->y > best_intensity)
184 best_intensity = itpeak->y;
190 qDebug() <<
"PeptideIsotopeSpectrumMatch::getBestPeakIterator end";
References pappso::PeptideNaturalIsotopeAverage::matchPeak().
Referenced by PeptideIsotopeSpectrumMatch().
◆ getPeakIonIsotopeMatchList()
const std::list< PeakIonIsotopeMatch > & pappso::PeptideIsotopeSpectrumMatch::getPeakIonIsotopeMatchList |
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◆ size()
unsigned int pappso::PeptideIsotopeSpectrumMatch::size |
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◆ _peak_ion_match_list
◆ _precision
PrecisionPtr pappso::PeptideIsotopeSpectrumMatch::_precision |
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The documentation for this class was generated from the following files: