libpappsomspp
Library for mass spectrometry
pappso::MassSpectrumWidget Class Reference

#include <massspectrumwidget.h>

Inheritance diagram for pappso::MassSpectrumWidget:
GraphicDeviceWidget

Signals

void mzChanged (double mz) const
 
void peakChanged (pappso::DataPointCstSPtr peak_match) const
 
void ionChanged (pappso::PeakIonIsotopeMatchCstSPtr ion) const
 

Public Member Functions

 MassSpectrumWidget (QWidget *parent=0)
 
 ~MassSpectrumWidget ()
 
void setQualifiedMassSpectrum (const QualifiedMassSpectrum &spectrum)
 
void setMsLevel (unsigned int ms_level)
 
void setMassSpectrumCstSPtr (const MassSpectrumCstSPtr &spectrum)
 
void setPeptideSp (const PeptideSp &peptide_sp)
 
void plot ()
 
void rescale ()
 
void setPeptideCharge (unsigned int parent_ion_charge)
 
void setMaximumIsotopeNumber (unsigned int max_isotope_number)
 
void setMaximumIsotopeRank (unsigned int max_isotope_rank)
 
void setIonList (const std::list< PeptideIon > &ion_list)
 
void setMs1Precision (PrecisionPtr precision)
 
void setMs2Precision (PrecisionPtr precision)
 
bool savePdf (const QString &fileName, int width=0, int height=0)
 
void toQPaintDevice (QPaintDevice *device, const QSize &size) override
 
void highlightPrecursorPeaks ()
 
- Public Member Functions inherited from GraphicDeviceWidget
 GraphicDeviceWidget (QWidget *parent)
 
virtual ~GraphicDeviceWidget ()
 
virtual void toSvgFile (const QString &filename, const QString &title, const QString &description, const QSize &size) final
 

Protected Member Functions

void mzChangeEvent (pappso_double mz) const
 
void peakChangeEvent (const DataPoint *p_peak_match)
 

Private Member Functions

void peptideAnnotate ()
 
void setVisibleMassDelta (bool visible)
 
void clearData ()
 
void computeIsotopeMassList ()
 

Private Attributes

unsigned int _tag_nmost_intense = 10
 
unsigned int _max_isotope_number = 0
 
unsigned int _max_isotope_rank = 1
 
MassSpectrumCstSPtr _spectrum_sp
 
PrecisionPtr _p_ms1_precision = PrecisionFactory::getDaltonInstance(0.1)
 
PrecisionPtr _p_ms2_precision = PrecisionFactory::getDaltonInstance(0.5)
 
unsigned int _peptide_charge = 3
 
unsigned int _ms_level
 
PeptideSp _peptide_sp
 
std::list< PeptideIon_ion_list
 
std::list< PeakIonIsotopeMatch_peak_ion_isotope_match_list
 
std::vector< pappso::PeptideNaturalIsotopeAverageSp_isotope_mass_list
 list of isotope precursors More...
 
QCPSpectrum_custom_plot = nullptr
 
bool _is_visible_mass_delta
 
const DataPoint_p_mouse_peak = nullptr
 

Friends

class QCPSpectrum
 

Detailed Description

Definition at line 47 of file massspectrumwidget.h.

Constructor & Destructor Documentation

◆ MassSpectrumWidget()

MassSpectrumWidget::MassSpectrumWidget ( QWidget *  parent = 0)

Definition at line 40 of file massspectrumwidget.cpp.

41  : GraphicDeviceWidget(parent)
42 {
43  qDebug();
44 
45  _ms_level = 1;
47  _custom_plot = nullptr;
48 
49  this->setLayout(new QHBoxLayout(this));
50 
51  this->layout()->setContentsMargins(0,0,0,0);
52  setVisibleMassDelta(false);
53  qDebug();
54 }
GraphicDeviceWidget(QWidget *parent)
void setVisibleMassDelta(bool visible)
std::list< PeptideIon > _ion_list
static std::list< PeptideIon > getCIDionList()

References _custom_plot, _ion_list, _ms_level, pappso::PeptideFragmentIonListBase::getCIDionList(), and setVisibleMassDelta().

◆ ~MassSpectrumWidget()

MassSpectrumWidget::~MassSpectrumWidget ( )

Definition at line 55 of file massspectrumwidget.cpp.

56 {
57 }

Member Function Documentation

◆ clearData()

void MassSpectrumWidget::clearData ( )
private

Definition at line 119 of file massspectrumwidget.cpp.

120 {
121  qDebug();
123  qDebug();
124  _custom_plot->clearItems();
126  qDebug();
127 }
MassSpectrumCstSPtr _spectrum_sp
void setSpectrumP(const MassSpectrum *spectrum)

References _custom_plot, _spectrum_sp, pappso::QCPSpectrum::clearData(), and pappso::QCPSpectrum::setSpectrumP().

Referenced by peptideAnnotate(), and setMassSpectrumCstSPtr().

◆ computeIsotopeMassList()

void MassSpectrumWidget::computeIsotopeMassList ( )
private

Definition at line 411 of file massspectrumwidget.cpp.

412 {
413  qDebug() << "_p_ms1_precision->toString()=" << _p_ms1_precision->toString();
414  _isotope_mass_list.resize(0);
415  // compute isotope masses :
416  if(_peptide_sp != nullptr)
417  {
419  std::map<unsigned int, pappso::pappso_double> map_isotope_number =
420  isotope_list.getIntensityRatioPerIsotopeNumber();
421 
422  for(unsigned int i = 0; i < map_isotope_number.size(); i++)
423  {
424 
425  unsigned int asked_rank = 0;
426  unsigned int given_rank = 0;
427  bool more_rank = true;
428  while(more_rank)
429  {
430  asked_rank++;
431  pappso::PeptideNaturalIsotopeAverage isotopeAverageMono(
432  isotope_list, asked_rank, i, _peptide_charge, _p_ms1_precision);
433  given_rank = isotopeAverageMono.getIsotopeRank();
434  if(given_rank < asked_rank)
435  {
436  more_rank = false;
437  }
438  else if(isotopeAverageMono.getIntensityRatio() == 0)
439  {
440  more_rank = false;
441  }
442  else
443  {
444  // isotopeAverageMono.makePeptideNaturalIsotopeAverageSp();
445  _isotope_mass_list.push_back(
446  isotopeAverageMono.makePeptideNaturalIsotopeAverageSp());
447  }
448  }
449  }
450  }
451 }
std::vector< pappso::PeptideNaturalIsotopeAverageSp > _isotope_mass_list
list of isotope precursors
virtual QString toString() const =0

References _isotope_mass_list, _p_ms1_precision, _peptide_charge, _peptide_sp, pappso::PeptideNaturalIsotopeAverage::getIntensityRatio(), pappso::PeptideNaturalIsotopeList::getIntensityRatioPerIsotopeNumber(), pappso::PeptideNaturalIsotopeAverage::getIsotopeRank(), pappso::PeptideNaturalIsotopeAverage::makePeptideNaturalIsotopeAverageSp(), and pappso::PrecisionBase::toString().

Referenced by peptideAnnotate().

◆ highlightPrecursorPeaks()

void pappso::MassSpectrumWidget::highlightPrecursorPeaks ( )

Definition at line 454 of file massspectrumwidget.cpp.

455 {
456 
457  if(_ms_level > 1)
458  {
459  pappso_double precursor_mz_1 = _peptide_sp->getMz(1);
461  precursor_mz_1, 1, _p_ms2_precision);
462  pappso_double precursor_mz_charge = _peptide_sp->getMz(_peptide_charge);
464  precursor_mz_charge, _peptide_charge, _p_ms2_precision);
465  }
466 }
void highlightPrecursorPeaks(double precursor_mz, int charge, PrecisionPtr ms2_precision)
double pappso_double
A type definition for doubles.
Definition: types.h:49

◆ ionChanged

void pappso::MassSpectrumWidget::ionChanged ( pappso::PeakIonIsotopeMatchCstSPtr  ion) const
signal

Referenced by peakChangeEvent().

◆ mzChanged

void pappso::MassSpectrumWidget::mzChanged ( double  mz) const
signal

Referenced by mzChangeEvent().

◆ mzChangeEvent()

void MassSpectrumWidget::mzChangeEvent ( pappso_double  mz) const
protected

Definition at line 365 of file massspectrumwidget.cpp.

366 {
367  emit mzChanged(mz);
368 }
void mzChanged(double mz) const

References pappso::mz, and mzChanged().

Referenced by pappso::QCPSpectrum::mouseMoveEvent().

◆ peakChanged

void pappso::MassSpectrumWidget::peakChanged ( pappso::DataPointCstSPtr  peak_match) const
signal

Referenced by peakChangeEvent().

◆ peakChangeEvent()

void MassSpectrumWidget::peakChangeEvent ( const DataPoint p_peak_match)
protected

Definition at line 371 of file massspectrumwidget.cpp.

372 {
373  qDebug() << "p_peak_match=" << p_peak_match;
374  if(_p_mouse_peak != p_peak_match)
375  {
376  _p_mouse_peak = p_peak_match;
377  DataPointCstSPtr peak_shp;
378  // emit peakChanged(peak_shp);
379  if(_p_mouse_peak != nullptr)
380  {
381  qDebug() << "_p_mouse_peak->x=" << _p_mouse_peak->x;
382  peak_shp = _p_mouse_peak->makeDataPointCstSPtr();
383  emit peakChanged(peak_shp);
384  // try to find matched ion (if it exists)
385  bool found = false;
386  for(const PeakIonIsotopeMatch &peak_ion_match :
388  {
389  if(peak_ion_match.getPeak().x == _p_mouse_peak->x)
390  {
391  // found
392  emit ionChanged(std::make_shared<const PeakIonIsotopeMatch>(
393  PeakIonIsotopeMatch(peak_ion_match)));
394  found = true;
395  }
396  }
397  if(!found)
398  {
399  emit ionChanged(std::shared_ptr<const PeakIonIsotopeMatch>());
400  }
401  }
402  else
403  {
404  qDebug() << "no peak";
405  emit peakChanged(peak_shp);
406  }
407  }
408 }
void peakChanged(pappso::DataPointCstSPtr peak_match) const
std::list< PeakIonIsotopeMatch > _peak_ion_isotope_match_list
void ionChanged(pappso::PeakIonIsotopeMatchCstSPtr ion) const
std::shared_ptr< const DataPoint > DataPointCstSPtr
Definition: datapoint.h:17
pappso_double x
Definition: datapoint.h:23
DataPointCstSPtr makeDataPointCstSPtr() const
Definition: datapoint.cpp:70

References _p_mouse_peak, _peak_ion_isotope_match_list, ionChanged(), pappso::DataPoint::makeDataPointCstSPtr(), peakChanged(), and pappso::DataPoint::x.

Referenced by pappso::QCPSpectrum::getMostIntensePeakBetween(), and pappso::QCPSpectrum::getNearestPeakBetween().

◆ peptideAnnotate()

void MassSpectrumWidget::peptideAnnotate ( )
private

Definition at line 185 of file massspectrumwidget.cpp.

186 {
187  qDebug() << " _max_isotope_number=" << _max_isotope_number;
188  clearData();
190  if((_spectrum_sp == nullptr) || (_peptide_sp == nullptr))
191  {
192  }
193  else
194  {
195  if(_ms_level > 1)
196  {
197  PeptideIsotopeSpectrumMatch psm_match(*(_spectrum_sp.get()),
198  _peptide_sp,
201  _ion_list,
204 
205  _peak_ion_isotope_match_list = psm_match.getPeakIonIsotopeMatchList();
206  }
207  else
208  {
209  }
211  }
212  qDebug();
213 }

References _ion_list, _max_isotope_number, _max_isotope_rank, _ms_level, _p_ms2_precision, _peak_ion_isotope_match_list, _peptide_charge, _peptide_sp, _spectrum_sp, clearData(), computeIsotopeMassList(), and pappso::PeptideIsotopeSpectrumMatch::getPeakIonIsotopeMatchList().

Referenced by plot().

◆ plot()

void MassSpectrumWidget::plot ( )

Definition at line 264 of file massspectrumwidget.cpp.

265 {
266 
267  qDebug();
268  peptideAnnotate();
269  if(_ms_level == 1)
270  {
271  if(_spectrum_sp != nullptr)
272  {
273  if(_isotope_mass_list.size() > 0)
274  {
275 
276  qDebug() << "_isotope_mass_list.size()="
277  << _isotope_mass_list.size();
278  std::sort(_isotope_mass_list.begin(),
279  _isotope_mass_list.end(),
280  [](const PeptideNaturalIsotopeAverageSp &a,
282  return a.get()->getMz() < b.get()->getMz();
283  });
284 
285  if(_isotope_mass_list.size() > 0)
286  {
287  PeptideNaturalIsotopeAverageSp precursor_peptide =
288  _isotope_mass_list.at(0);
289  qDebug() << "precursor_peptide.get()->getMz()="
290  << precursor_peptide.get()->getMz();
291  MzRange precursor_mass(precursor_peptide.get()->getMz(),
293  DataPoint monoisotope_peak;
294  monoisotope_peak.y = 0;
295 
296  for(const DataPoint &peak : *(_spectrum_sp.get()))
297  {
298  if(precursor_mass.contains(peak.x))
299  {
300  if(peak.y > monoisotope_peak.y)
301  {
302  qDebug() << "SpectrumWidget::plot "
303  "(peak.intensity > "
304  "monoisotope_peak.intensity) ";
305  monoisotope_peak = peak;
306  }
307  }
308  }
309  if(monoisotope_peak.y > 0)
310  {
311  qDebug() << "addMs1IsotopePattern";
313  monoisotope_peak.y);
314  }
315  }
316  }
317  }
318  }
319  else
320  {
322  [](const PeakIonIsotopeMatch &a, const PeakIonIsotopeMatch &b) {
323  return a.getPeak().y > b.getPeak().y;
324  });
325  unsigned int i = 0;
326  for(const PeakIonIsotopeMatch &peak_ion_match :
328  {
329  _custom_plot->addPeakIonIsotopeMatch(peak_ion_match);
330 
331  _custom_plot->addMassDelta(peak_ion_match);
332  //_p_delta_graph->addData(peak_ion_match.getPeak().x,
333  // peak_ion_match.getPeak().y);
334  if(i < _tag_nmost_intense)
335  {
336  QCPItemText *text_label = new QCPItemText(_custom_plot);
337  text_label->setVisible(true);
338  //_custom_plot->addItem(text_label);
339  text_label->setPositionAlignment(Qt::AlignBottom |
340  Qt::AlignHCenter);
341  text_label->position->setType(QCPItemPosition::ptPlotCoords);
342  text_label->position->setCoords(
343  peak_ion_match.getPeak().x,
344  peak_ion_match.getPeak()
345  .y); // place position at center/top of axis rect
346  text_label->setFont(QFont(font().family(), 8));
347  text_label->setText(
348  peak_ion_match.getPeptideFragmentIonSp()
349  .get()
350  ->getCompletePeptideIonName(peak_ion_match.getCharge()));
351  // text_label->setPen(QPen(PeptideFragmentIon::getPeptideIonColor(peak_ion_match.getPeptideIonType()),
352  // 1)); // show black border around text
353  text_label->setColor(
355  peak_ion_match.getPeptideIonType())));
356  }
357  i++;
358  }
359  }
360 
361  _custom_plot->replot();
362  qDebug();
363 }
static const QColor getPeptideIonColor(PeptideIon ion_type)
void addPeakIonIsotopeMatch(const PeakIonIsotopeMatch &peak_ion_match)
void addMassDelta(const PeakIonIsotopeMatch &peak_ion_match)
void addMs1IsotopePattern(const std::vector< pappso::PeptideNaturalIsotopeAverageSp > &isotope_mass_list, pappso_double intensity)
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp
pappso_double y
Definition: datapoint.h:24

References _custom_plot, _isotope_mass_list, _ms_level, _p_ms1_precision, _peak_ion_isotope_match_list, _spectrum_sp, _tag_nmost_intense, pappso::a, pappso::QCPSpectrum::addMassDelta(), pappso::QCPSpectrum::addMs1IsotopePattern(), pappso::QCPSpectrum::addPeakIonIsotopeMatch(), pappso::b, pappso::MzRange::contains(), pappso::PeptideFragmentIon::getPeptideIonColor(), peptideAnnotate(), pappso::y, and pappso::DataPoint::y.

◆ rescale()

void MassSpectrumWidget::rescale ( )

Definition at line 236 of file massspectrumwidget.cpp.

237 {
238  qDebug();
239 
241 
242  /*
243  if (_p_delta_axis_rect != nullptr) {
244  _p_delta_axis_rect->axis(QCPAxis::AxisType::atLeft)->rescale();
245  }
246  */
247  _custom_plot->replot();
248  qDebug();
249 }

References _custom_plot, and pappso::QCPSpectrum::rescale().

◆ savePdf()

bool MassSpectrumWidget::savePdf ( const QString &  fileName,
int  width = 0,
int  height = 0 
)

Definition at line 60 of file massspectrumwidget.cpp.

61 {
62 
63  if(_custom_plot != nullptr)
64  {
65  return _custom_plot->savePdf(fileName, width, height);
66  }
67  else
68  {
69  return false;
70  }
71 }

References _custom_plot.

◆ setIonList()

void MassSpectrumWidget::setIonList ( const std::list< PeptideIon > &  ion_list)

Definition at line 135 of file massspectrumwidget.cpp.

136 {
137  _ion_list = ion_list;
138 }

References _ion_list.

◆ setMassSpectrumCstSPtr()

void MassSpectrumWidget::setMassSpectrumCstSPtr ( const MassSpectrumCstSPtr spectrum)

Definition at line 226 of file massspectrumwidget.cpp.

227 {
228  qDebug();
229  _spectrum_sp = spectrum;
230 
231  clearData();
232  qDebug();
233 }

References _spectrum_sp, and clearData().

Referenced by setQualifiedMassSpectrum().

◆ setMaximumIsotopeNumber()

void MassSpectrumWidget::setMaximumIsotopeNumber ( unsigned int  max_isotope_number)

Definition at line 174 of file massspectrumwidget.cpp.

175 {
176  _max_isotope_number = max_isotope_number;
177 }

References _max_isotope_number.

◆ setMaximumIsotopeRank()

void MassSpectrumWidget::setMaximumIsotopeRank ( unsigned int  max_isotope_rank)

Definition at line 180 of file massspectrumwidget.cpp.

181 {
182  _max_isotope_rank = max_isotope_rank;
183 }

References _max_isotope_rank.

◆ setMs1Precision()

void MassSpectrumWidget::setMs1Precision ( PrecisionPtr  precision)

Definition at line 159 of file massspectrumwidget.cpp.

160 {
161  qDebug() << "precision->toString()=" << precision->toString();
162  _p_ms1_precision = precision;
163  //_precision._precision = precision._precision;
164 }

References _p_ms1_precision, and pappso::PrecisionBase::toString().

◆ setMs2Precision()

void MassSpectrumWidget::setMs2Precision ( PrecisionPtr  precision)

Definition at line 166 of file massspectrumwidget.cpp.

167 {
168  qDebug() << "precision->toString()=" << precision->toString();
169  _p_ms2_precision = precision;
170  //_precision._precision = precision._precision;
171 }

References _p_ms2_precision, and pappso::PrecisionBase::toString().

◆ setMsLevel()

void MassSpectrumWidget::setMsLevel ( unsigned int  ms_level)

Definition at line 141 of file massspectrumwidget.cpp.

142 {
143  qDebug() << "ms_level=" << ms_level;
144  _ms_level = ms_level;
145 
146 
147  if(_ms_level == 1)
148  {
149  setVisibleMassDelta(false);
150  }
151  else
152  {
153  setVisibleMassDelta(true);
154  }
155 
156  //_precision._precision = precision._precision;
157 }

References _ms_level, and setVisibleMassDelta().

Referenced by setQualifiedMassSpectrum().

◆ setPeptideCharge()

void MassSpectrumWidget::setPeptideCharge ( unsigned int  parent_ion_charge)

Definition at line 130 of file massspectrumwidget.cpp.

131 {
132  _peptide_charge = parent_ion_charge;
133 }

References _peptide_charge.

◆ setPeptideSp()

void MassSpectrumWidget::setPeptideSp ( const PeptideSp peptide_sp)

Definition at line 216 of file massspectrumwidget.cpp.

217 {
218  qDebug();
219  _peptide_sp = peptide_sp;
220 
221  // clearData();
222  qDebug();
223 }

References _peptide_sp.

◆ setQualifiedMassSpectrum()

void MassSpectrumWidget::setQualifiedMassSpectrum ( const QualifiedMassSpectrum spectrum)

Definition at line 252 of file massspectrumwidget.cpp.

254 {
255  qDebug() << "spectrum.getPrecursorCharge()=" << spectrum.getPrecursorCharge();
256 
257  setMsLevel(spectrum.getMsLevel());
259 
260  qDebug();
261 }
void setMassSpectrumCstSPtr(const MassSpectrumCstSPtr &spectrum)
void setMsLevel(unsigned int ms_level)
uint getMsLevel() const
Get the mass spectrum level.
MassSpectrumCstSPtr getMassSpectrumCstSPtr() const
Get the MassSpectrumCstSPtr.
uint getPrecursorCharge(bool *ok=nullptr) const
Get the precursor charge.

References pappso::QualifiedMassSpectrum::getMassSpectrumCstSPtr(), pappso::QualifiedMassSpectrum::getMsLevel(), pappso::QualifiedMassSpectrum::getPrecursorCharge(), setMassSpectrumCstSPtr(), and setMsLevel().

◆ setVisibleMassDelta()

void MassSpectrumWidget::setVisibleMassDelta ( bool  visible)
private

Definition at line 87 of file massspectrumwidget.cpp.

88 {
89  qDebug();
90  if(_custom_plot != nullptr)
91  {
92  if(visible == _is_visible_mass_delta)
93  return;
94  delete _custom_plot;
95  }
96  _is_visible_mass_delta = visible;
97  while(auto item = this->layout()->takeAt(0))
98  {
99  delete item->widget();
100  }
101  qDebug();
102  _custom_plot = new QCPSpectrum(this, visible);
103  this->layout()->addWidget(_custom_plot);
104  qDebug();
105  _custom_plot->xAxis->setLabel("m/z");
106  _custom_plot->yAxis->setLabel("intensity");
107  qDebug();
108  _custom_plot->setInteractions(QCP::iRangeDrag | QCP::iRangeZoom);
109  _custom_plot->axisRect()->setRangeDrag(Qt::Horizontal);
110  _custom_plot->axisRect()->setRangeZoom(Qt::Horizontal);
111  qDebug();
112  // legend->setVisible(false);
113  // legend->setFont(QFont("Helvetica",9));
114  // set locale to english, so we get english decimal separator:
115  // setLocale(QLocale(QLocale::English, QLocale::UnitedKingdom));
116  qDebug();
117 }

References _custom_plot, _is_visible_mass_delta, and QCPSpectrum.

Referenced by MassSpectrumWidget(), and setMsLevel().

◆ toQPaintDevice()

void MassSpectrumWidget::toQPaintDevice ( QPaintDevice *  device,
const QSize &  size 
)
overridevirtual

Implements GraphicDeviceWidget.

Definition at line 75 of file massspectrumwidget.cpp.

76 {
77 
78  if(_custom_plot != nullptr)
79  {
80  QCPPainter painter;
81  painter.begin(device);
82  _custom_plot->toPainter(&painter, size.width(), size.height());
83  painter.end();
84  }
85 }

References _custom_plot.

Friends And Related Function Documentation

◆ QCPSpectrum

friend class QCPSpectrum
friend

Definition at line 82 of file massspectrumwidget.h.

Referenced by setVisibleMassDelta().

Member Data Documentation

◆ _custom_plot

QCPSpectrum* pappso::MassSpectrumWidget::_custom_plot = nullptr
private

◆ _ion_list

std::list<PeptideIon> pappso::MassSpectrumWidget::_ion_list
private

Definition at line 102 of file massspectrumwidget.h.

Referenced by MassSpectrumWidget(), peptideAnnotate(), and setIonList().

◆ _is_visible_mass_delta

bool pappso::MassSpectrumWidget::_is_visible_mass_delta
private

Definition at line 111 of file massspectrumwidget.h.

Referenced by setVisibleMassDelta().

◆ _isotope_mass_list

std::vector<pappso::PeptideNaturalIsotopeAverageSp> pappso::MassSpectrumWidget::_isotope_mass_list
private

list of isotope precursors

Definition at line 108 of file massspectrumwidget.h.

Referenced by computeIsotopeMassList(), and plot().

◆ _max_isotope_number

unsigned int pappso::MassSpectrumWidget::_max_isotope_number = 0
private

Definition at line 94 of file massspectrumwidget.h.

Referenced by peptideAnnotate(), and setMaximumIsotopeNumber().

◆ _max_isotope_rank

unsigned int pappso::MassSpectrumWidget::_max_isotope_rank = 1
private

Definition at line 95 of file massspectrumwidget.h.

Referenced by peptideAnnotate(), and setMaximumIsotopeRank().

◆ _ms_level

unsigned int pappso::MassSpectrumWidget::_ms_level
private

Definition at line 100 of file massspectrumwidget.h.

Referenced by MassSpectrumWidget(), peptideAnnotate(), plot(), and setMsLevel().

◆ _p_mouse_peak

const DataPoint* pappso::MassSpectrumWidget::_p_mouse_peak = nullptr
private

Definition at line 113 of file massspectrumwidget.h.

Referenced by peakChangeEvent().

◆ _p_ms1_precision

PrecisionPtr pappso::MassSpectrumWidget::_p_ms1_precision = PrecisionFactory::getDaltonInstance(0.1)
private

Definition at line 97 of file massspectrumwidget.h.

Referenced by computeIsotopeMassList(), plot(), and setMs1Precision().

◆ _p_ms2_precision

PrecisionPtr pappso::MassSpectrumWidget::_p_ms2_precision = PrecisionFactory::getDaltonInstance(0.5)
private

Definition at line 98 of file massspectrumwidget.h.

Referenced by peptideAnnotate(), and setMs2Precision().

◆ _peak_ion_isotope_match_list

std::list<PeakIonIsotopeMatch> pappso::MassSpectrumWidget::_peak_ion_isotope_match_list
private

Definition at line 104 of file massspectrumwidget.h.

Referenced by peakChangeEvent(), peptideAnnotate(), and plot().

◆ _peptide_charge

unsigned int pappso::MassSpectrumWidget::_peptide_charge = 3
private

Definition at line 99 of file massspectrumwidget.h.

Referenced by computeIsotopeMassList(), peptideAnnotate(), and setPeptideCharge().

◆ _peptide_sp

PeptideSp pappso::MassSpectrumWidget::_peptide_sp
private

Definition at line 101 of file massspectrumwidget.h.

Referenced by computeIsotopeMassList(), peptideAnnotate(), and setPeptideSp().

◆ _spectrum_sp

MassSpectrumCstSPtr pappso::MassSpectrumWidget::_spectrum_sp
private

Definition at line 96 of file massspectrumwidget.h.

Referenced by clearData(), peptideAnnotate(), plot(), and setMassSpectrumCstSPtr().

◆ _tag_nmost_intense

unsigned int pappso::MassSpectrumWidget::_tag_nmost_intense = 10
private

Definition at line 93 of file massspectrumwidget.h.

Referenced by plot().


The documentation for this class was generated from the following files: