libpappsomspp
Library for mass spectrometry
|
Go to the documentation of this file.
32 #include "../../pappsoexception.h"
33 #include "../../peptide/peptidenaturalisotopelist.h"
49 this->setLayout(
new QHBoxLayout(
this));
51 this->layout()->setMargin(0);
81 painter.begin(device);
82 _custom_plot->toPainter(&painter, size.width(), size.height());
97 while(
auto item = this->layout()->takeAt(0))
99 delete item->widget();
108 _custom_plot->setInteractions(QCP::iRangeDrag | QCP::iRangeZoom);
143 qDebug() <<
"ms_level=" << ms_level;
161 qDebug() <<
"precision->toString()=" << precision->
toString();
168 qDebug() <<
"precision->toString()=" << precision->
toString();
277 qDebug() <<
"_isotope_mass_list.size()="
283 return a.get()->getMz() < b.get()->getMz();
290 qDebug() <<
"precursor_peptide.get()->getMz()="
291 << precursor_peptide.get()->getMz();
292 MzRange precursor_mass(precursor_peptide.get()->getMz(),
295 monoisotope_peak.
y = 0;
301 if(peak.y > monoisotope_peak.
y)
303 qDebug() <<
"SpectrumWidget::plot "
305 "monoisotope_peak.intensity) ";
306 monoisotope_peak = peak;
310 if(monoisotope_peak.
y > 0)
312 qDebug() <<
"addMs1IsotopePattern";
338 QString plusstr =
"+";
339 plusstr = plusstr.repeated(peak_ion_match.getCharge());
340 QCPItemText *text_label =
new QCPItemText(
_custom_plot);
341 text_label->setVisible(
true);
343 text_label->setPositionAlignment(Qt::AlignBottom |
345 text_label->position->setType(QCPItemPosition::ptPlotCoords);
346 text_label->position->setCoords(
347 peak_ion_match.getPeak().x,
348 peak_ion_match.getPeak()
350 text_label->setFont(QFont(font().family(), 8));
353 .arg(peak_ion_match.getPeptideFragmentIonSp()
355 ->getPeptideIonName())
356 .arg(peak_ion_match.getPeptideFragmentIonSp().get()->size())
360 text_label->setColor(
362 peak_ion_match.getPeptideIonType())));
380 qDebug() <<
"p_peak_match=" << p_peak_match;
398 emit
ionChanged(std::make_shared<const PeakIonIsotopeMatch>(
405 qDebug() <<
"no peak";
420 std::map<unsigned int, pappso::pappso_double> map_isotope_number =
423 for(
unsigned int i = 0; i < map_isotope_number.size(); i++)
426 unsigned int asked_rank = 0;
427 unsigned int given_rank = 0;
428 bool more_rank =
true;
435 if(given_rank < asked_rank)
uint getMsLevel() const
Get the mass spectrum level.
double pappso_double
A type definition for doubles.
void setSpectrumP(const MassSpectrum *spectrum)
std::shared_ptr< const MassSpectrum > MassSpectrumCstSPtr
const std::map< unsigned int, pappso_double > getIntensityRatioPerIsotopeNumber() const
tries to keep as much as possible monoisotopes, removing any possible C13 peaks
bool contains(pappso_double) const
const DataPoint & getPeak() const
pappso_double getIntensityRatio() const
DataPointCstSPtr makeDataPointCstSPtr() const
std::shared_ptr< const DataPoint > DataPointCstSPtr
Class representing a fully specified mass spectrum.
const std::list< PeakIonIsotopeMatch > & getPeakIonIsotopeMatchList() const
void addMs1IsotopePattern(const std::vector< pappso::PeptideNaturalIsotopeAverageSp > &isotope_mass_list, pappso_double intensity)
uint getPrecursorCharge() const
Get the precursor charge.
unsigned int getIsotopeRank() const
PeptideNaturalIsotopeAverageSp makePeptideNaturalIsotopeAverageSp() const
static const QColor getPeptideIonColor(PeptideIon ion_type)
MassSpectrumCstSPtr getMassSpectrumCstSPtr() const
Get the MassSpectrumCstSPtr.
void addPeakIonIsotopeMatch(const PeakIonIsotopeMatch &peak_ion_match)
static std::list< PeptideIon > getCIDionList()
void addMassDelta(const PeakIonIsotopeMatch &peak_ion_match)
virtual QString toString() const =0
std::shared_ptr< const Peptide > PeptideSp
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp