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
 
virtual void toQPaintDevice (QPaintDevice *device, const QSize &size)=0
 

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);
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 418 of file massspectrumwidget.cpp.

419{
420 qDebug() << "_p_ms1_precision->toString()=" << _p_ms1_precision->toString();
421 _isotope_mass_list.resize(0);
422 // compute isotope masses :
423 if(_peptide_sp != nullptr)
424 {
426 std::map<unsigned int, pappso::pappso_double> map_isotope_number =
427 isotope_list.getIntensityRatioPerIsotopeNumber();
428
429 for(unsigned int i = 0; i < map_isotope_number.size(); i++)
430 {
431
432 unsigned int asked_rank = 0;
433 unsigned int given_rank = 0;
434 bool more_rank = true;
435 while(more_rank)
436 {
437 asked_rank++;
438 pappso::PeptideNaturalIsotopeAverage isotopeAverageMono(
439 isotope_list, asked_rank, i, _peptide_charge, _p_ms1_precision);
440 given_rank = isotopeAverageMono.getIsotopeRank();
441 if(given_rank < asked_rank)
442 {
443 more_rank = false;
444 }
445 else if(isotopeAverageMono.getIntensityRatio() == 0)
446 {
447 more_rank = false;
448 }
449 else
450 {
451 // isotopeAverageMono.makePeptideNaturalIsotopeAverageSp();
452 _isotope_mass_list.push_back(
453 isotopeAverageMono.makePeptideNaturalIsotopeAverageSp());
454 }
455 }
456 }
457 }
458 qDebug() << "_isotope_mass_list.size()=" << _isotope_mass_list.size();
459}
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 462 of file massspectrumwidget.cpp.

463{
464
465 if(_ms_level > 1)
466 {
467 pappso_double precursor_mz_1 = _peptide_sp->getMz(1);
469 precursor_mz_1, 1, _p_ms2_precision);
470 pappso_double precursor_mz_charge = _peptide_sp->getMz(_peptide_charge);
472 precursor_mz_charge, _peptide_charge, _p_ms2_precision);
473 }
474}
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 372 of file massspectrumwidget.cpp.

373{
374 emit mzChanged(mz);
375}
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 378 of file massspectrumwidget.cpp.

379{
380 qDebug() << "p_peak_match=" << p_peak_match;
381 if(_p_mouse_peak != p_peak_match)
382 {
383 _p_mouse_peak = p_peak_match;
384 DataPointCstSPtr peak_shp;
385 // emit peakChanged(peak_shp);
386 if(_p_mouse_peak != nullptr)
387 {
388 qDebug() << "_p_mouse_peak->x=" << _p_mouse_peak->x;
390 emit peakChanged(peak_shp);
391 // try to find matched ion (if it exists)
392 bool found = false;
393 for(const PeakIonIsotopeMatch &peak_ion_match :
395 {
396 if(peak_ion_match.getPeak().x == _p_mouse_peak->x)
397 {
398 // found
399 emit ionChanged(std::make_shared<const PeakIonIsotopeMatch>(
400 PeakIonIsotopeMatch(peak_ion_match)));
401 found = true;
402 }
403 }
404 if(!found)
405 {
406 emit ionChanged(std::shared_ptr<const PeakIonIsotopeMatch>());
407 }
408 }
409 else
410 {
411 qDebug() << "no peak";
412 emit peakChanged(peak_shp);
413 }
414 }
415}
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:18
pappso_double x
Definition: datapoint.h:23
DataPointCstSPtr makeDataPointCstSPtr() const
Definition: datapoint.cpp:73

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 qDebug();
198 PeptideIsotopeSpectrumMatch psm_match(*(_spectrum_sp.get()),
202 _ion_list,
205
206 _peak_ion_isotope_match_list = psm_match.getPeakIonIsotopeMatchList();
207 qDebug() << "_peak_ion_isotope_match_list.size()="
209 }
210 else
211 {
212 }
214 }
215 qDebug();
216}

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 267 of file massspectrumwidget.cpp.

268{
269
270 qDebug() << "_ms_level=" << _ms_level;
272 if(_ms_level == 1)
273 {
274 qDebug();
275 if(_spectrum_sp != nullptr)
276 {
277 qDebug();
278 if(_isotope_mass_list.size() > 0)
279 {
280
281 qDebug() << "_isotope_mass_list.size()="
282 << _isotope_mass_list.size();
283 std::sort(_isotope_mass_list.begin(),
284 _isotope_mass_list.end(),
287 return a.get()->getMz() < b.get()->getMz();
288 });
289
290 if(_isotope_mass_list.size() > 0)
291 {
292 PeptideNaturalIsotopeAverageSp precursor_peptide =
293 _isotope_mass_list.at(0);
294 qDebug() << "precursor_peptide.get()->getMz()="
295 << precursor_peptide.get()->getMz();
296 MzRange precursor_mass(precursor_peptide.get()->getMz(),
298 DataPoint monoisotope_peak;
299 monoisotope_peak.y = 0;
300
301 for(const DataPoint &peak : *(_spectrum_sp.get()))
302 {
303 if(precursor_mass.contains(peak.x))
304 {
305 if(peak.y > monoisotope_peak.y)
306 {
307 qDebug() << "SpectrumWidget::plot "
308 "(peak.intensity > "
309 "monoisotope_peak.intensity) ";
310 monoisotope_peak = peak;
311 }
312 }
313 }
314 if(monoisotope_peak.y > 0)
315 {
316 qDebug() << "addMs1IsotopePattern";
318 monoisotope_peak.y);
319 }
320 }
321 }
322 }
323 }
324 else
325 {
326 qDebug() << "_peak_ion_isotope_match_list.size()="
329 [](const PeakIonIsotopeMatch &a, const PeakIonIsotopeMatch &b) {
330 return a.getPeak().y > b.getPeak().y;
331 });
332 unsigned int i = 0;
333 for(const PeakIonIsotopeMatch &peak_ion_match :
335 {
336 _custom_plot->addPeakIonIsotopeMatch(peak_ion_match);
337
338 _custom_plot->addMassDelta(peak_ion_match);
339 //_p_delta_graph->addData(peak_ion_match.getPeak().x,
340 // peak_ion_match.getPeak().y);
341 if(i < _tag_nmost_intense)
342 {
343 QCPItemText *text_label = new QCPItemText(_custom_plot);
344 text_label->setVisible(true);
345 //_custom_plot->addItem(text_label);
346 text_label->setPositionAlignment(Qt::AlignBottom |
347 Qt::AlignHCenter);
348 text_label->position->setType(QCPItemPosition::ptPlotCoords);
349 text_label->position->setCoords(
350 peak_ion_match.getPeak().x,
351 peak_ion_match.getPeak()
352 .y); // place position at center/top of axis rect
353 text_label->setFont(QFont(font().family(), 8));
354 text_label->setText(
355 peak_ion_match.getPeptideFragmentIonSp()
356 .get()
357 ->getCompletePeptideIonName(peak_ion_match.getCharge()));
358 // text_label->setPen(QPen(PeptideFragmentIon::getPeptideIonColor(peak_ion_match.getPeptideIonType()),
359 // 1)); // show black border around text
360 text_label->setColor(
362 peak_ion_match.getPeptideIonType())));
363 }
364 i++;
365 }
366 }
367
368 _custom_plot->replot();
369 qDebug();
370}
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 239 of file massspectrumwidget.cpp.

240{
241 qDebug();
242
244
245 /*
246 if (_p_delta_axis_rect != nullptr) {
247 _p_delta_axis_rect->axis(QCPAxis::AxisType::atLeft)->rescale();
248 }
249 */
250 _custom_plot->replot();
251 qDebug();
252}

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 229 of file massspectrumwidget.cpp.

230{
231 qDebug();
232 _spectrum_sp = spectrum;
233
234 clearData();
235 qDebug();
236}

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 {
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 219 of file massspectrumwidget.cpp.

220{
221 qDebug();
222 _peptide_sp = peptide_sp;
223
224 // clearData();
225 qDebug();
226}

References _peptide_sp.

◆ setQualifiedMassSpectrum()

void MassSpectrumWidget::setQualifiedMassSpectrum ( const QualifiedMassSpectrum spectrum)

Definition at line 255 of file massspectrumwidget.cpp.

257{
258 qDebug() << "spectrum.getPrecursorCharge()=" << spectrum.getPrecursorCharge();
259
260 setMsLevel(spectrum.getMsLevel());
262
263 qDebug();
264}
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: