libpappsomspp
Library for mass spectrometry
pappso::QCPSpectrum Class Reference

#include <qcpspectrum.h>

Inheritance diagram for pappso::QCPSpectrum:

Protected Member Functions

 QCPSpectrum (MassSpectrumWidget *parent, bool visible)
 
 ~QCPSpectrum ()
 
void clearData ()
 
void rescale ()
 
void setSpectrumP (const MassSpectrum *spectrum)
 
void addMassDelta (const PeakIonIsotopeMatch &peak_ion_match)
 
void addMs1IsotopePattern (const std::vector< pappso::PeptideNaturalIsotopeAverageSp > &isotope_mass_list, pappso_double intensity)
 
void addPeakIonIsotopeMatch (const PeakIonIsotopeMatch &peak_ion_match)
 
void highlightPrecursorPeaks (double precursor_mz, int charge, PrecisionPtr ms2_precision)
 
virtual void mouseMoveEvent (QMouseEvent *event) override
 
virtual void mousePressEvent (QMouseEvent *event) override
 
virtual void mouseReleaseEvent (QMouseEvent *event) override
 
virtual void keyPressEvent (QKeyEvent *event) override
 
virtual void keyReleaseEvent (QKeyEvent *event) override
 

Private Member Functions

void getNearestPeakBetween (pappso_double mz, pappso_double mouse_mz_range) const
 
void getMostIntensePeakBetween (pappso_double mz, pappso_double mouse_mz_range) const
 
Q_SLOT void setMzRangeChanged (QCPRange range)
 

Private Attributes

MassSpectrumWidget_parent
 
const MassSpectrum_p_spectrum = nullptr
 
QCPRange _mz_range
 
QCPRange _intensity_range
 
QCPRange _mass_delta_range
 
QCPBars * _p_peak_bars
 
QCPBars * _p_peak_bars_isotope
 
QCPBars * mp_peak_bars_precursor
 
std::map< PeptideIon, QCPBars * > _map_ion_type_bars
 
QCPAxisRect * _p_delta_axis_rect
 
QCPGraph * _p_delta_graph
 
double _bar_width = 0.5
 
bool _click = false
 
bool _control_key = false
 
pappso::pappso_double _old_x
 
pappso::pappso_double _old_y
 

Friends

class MassSpectrumWidget
 

Detailed Description

Definition at line 45 of file qcpspectrum.h.

Constructor & Destructor Documentation

◆ QCPSpectrum()

QCPSpectrum::QCPSpectrum ( MassSpectrumWidget parent,
bool  visible 
)
protected

< Cter amino ions

< Cter amino ions + NH3 loss

< Cter amino ions + H2O loss

< Cter carbocations

Definition at line 37 of file qcpspectrum.cpp.

38  : QCustomPlot(parent)
39 {
40  qDebug() << "QCPSpectrum::QCPSpectrum begin";
41 
42  setFocusPolicy(Qt::ClickFocus);
43  _parent = parent;
44  _mz_range.lower = 0;
45  _mz_range.upper = 0;
46  _intensity_range.lower = 0;
47  _intensity_range.upper = 0;
48  _mass_delta_range.upper = -100;
49  _mass_delta_range.lower = 100;
50 
51 
52  // make axis rects' left side line up:
53  QCPMarginGroup *group = new QCPMarginGroup(this);
54  this->axisRect()->setMarginGroup(QCP::msLeft | QCP::msRight, group);
55 
56 
57  _p_peak_bars = new QCPBars(xAxis, yAxis);
58  _p_peak_bars->setWidthType(QCPBars::WidthType::wtAbsolute);
59  _p_peak_bars->setWidth(_bar_width);
60  _p_peak_bars->setPen(QPen(Qt::black, 1));
61  _p_peak_bars->setVisible(true);
62 
63  _p_peak_bars_isotope = new QCPBars(xAxis, yAxis);
64  _p_peak_bars_isotope->setWidthType(QCPBars::WidthType::wtAbsolute);
65  _p_peak_bars_isotope->setWidth(_bar_width * 10);
66  QColor red(Qt::red);
67  red.setAlpha(100);
68  _p_peak_bars_isotope->setPen(QPen(red, 1));
69  _p_peak_bars_isotope->setBrush(QBrush(red));
70 
71  mp_peak_bars_precursor = new QCPBars(xAxis, yAxis);
72  mp_peak_bars_precursor->setWidthType(QCPBars::WidthType::wtAbsolute);
73  mp_peak_bars_precursor->setWidth(_bar_width * 1.5);
74  mp_peak_bars_precursor->setPen(QPen(Qt::cyan, 1));
75  mp_peak_bars_precursor->setVisible(true);
76 
77  connect(this->xAxis,
78  SIGNAL(rangeChanged(QCPRange)),
79  this,
80  SLOT(setMzRangeChanged(QCPRange)));
81 
82 
83  std::vector<PeptideIon> all_ion_list = {
92  PeptideIon::y, ///< Cter amino ions
93  PeptideIon::ystar, ///< Cter amino ions + NH3 loss
94  PeptideIon::yo, ///< Cter amino ions + H2O loss
95  PeptideIon::z, ///< Cter carbocations
98  qDebug() << "SpectrumWidget::setVisibleMassDelta 5";
99 
100  for(PeptideIon ion_type : all_ion_list)
101  {
102  QCPBars *p_peak_bars = new QCPBars(xAxis, yAxis);
103  p_peak_bars->setWidthType(QCPBars::WidthType::wtAbsolute);
104  p_peak_bars->setWidth(_bar_width);
105  p_peak_bars->setPen(
106  QPen(PeptideFragmentIon::getPeptideIonColor(ion_type), 1));
107 
108  p_peak_bars->setVisible(true);
109  _map_ion_type_bars.insert(
110  std::pair<PeptideIon, QCPBars *>(ion_type, p_peak_bars));
111  }
112  qDebug() << "SpectrumWidget::setVisibleMassDelta visible ?";
113  setInteractions(QCP::iRangeDrag | QCP::iRangeZoom);
114  if(visible)
115  {
116 
117  _p_delta_axis_rect = new QCPAxisRect(this);
118  this->plotLayout()->addElement(1, 0, _p_delta_axis_rect);
119  _p_delta_axis_rect->axis(QCPAxis::atBottom)->setLayer("axes");
120  _p_delta_axis_rect->axis(QCPAxis::atBottom)->grid()->setLayer("grid");
121  _p_delta_axis_rect->axis(QCPAxis::atLeft)->setLabel("mass delta");
122  // bring bottom and main axis rect closer together:
123  this->plotLayout()->setRowSpacing(0);
124  _p_delta_axis_rect->setAutoMargins(QCP::msLeft | QCP::msRight |
125  QCP::msBottom);
126  _p_delta_axis_rect->setMargins(QMargins(0, 0, 0, 0));
127  this->setAutoAddPlottableToLegend(false);
128  _p_delta_graph = new QCPGraph(_p_delta_axis_rect->axis(QCPAxis::atBottom),
129  _p_delta_axis_rect->axis(QCPAxis::atLeft));
130  _p_delta_graph->setLineStyle(QCPGraph::LineStyle::lsNone);
131  _p_delta_graph->setScatterStyle(
132  QCPScatterStyle(QCPScatterStyle::ssDisc, 4.0));
133 
134  _p_delta_axis_rect->setMarginGroup(QCP::msLeft | QCP::msRight, group);
135  _p_delta_axis_rect->setMaximumSize(QSize(QWIDGETSIZE_MAX, 100));
136 
137 
138  //_p_delta_axis_rect->setInteractions(QCP::iRangeDrag | QCP::iRangeZoom );
139  _p_delta_axis_rect->setRangeDrag(Qt::Horizontal | Qt::Vertical);
140  _p_delta_axis_rect->setRangeZoom(Qt::Vertical);
141 
142 
143  connect(_p_delta_axis_rect->axis(QCPAxis::atBottom),
144  SIGNAL(rangeChanged(QCPRange)),
145  this,
146  SLOT(setMzRangeChanged(QCPRange)));
147  }
148  else
149  {
150  _p_delta_axis_rect = nullptr;
151  }
152  qDebug() << "QCPSpectrum::QCPSpectrum end";
153 }
static const QColor getPeptideIonColor(PeptideIon ion_type)
QCPGraph * _p_delta_graph
Definition: qcpspectrum.h:92
QCPAxisRect * _p_delta_axis_rect
Definition: qcpspectrum.h:91
QCPBars * _p_peak_bars
Definition: qcpspectrum.h:87
MassSpectrumWidget * _parent
Definition: qcpspectrum.h:82
QCPRange _mass_delta_range
Definition: qcpspectrum.h:86
QCPRange _intensity_range
Definition: qcpspectrum.h:85
QCPBars * mp_peak_bars_precursor
Definition: qcpspectrum.h:89
std::map< PeptideIon, QCPBars * > _map_ion_type_bars
Definition: qcpspectrum.h:90
QCPBars * _p_peak_bars_isotope
Definition: qcpspectrum.h:88
Q_SLOT void setMzRangeChanged(QCPRange range)
PeptideIon
PeptideIon enum defines all types of ions (Nter or Cter)
Definition: types.h:386
@ a
Nter aldimine ions.
@ y
Cter amino ions.
@ c
Nter amino ions.
@ astar
Nter aldimine ions + NH3 loss.
@ ystar
Cter amino ions + NH3 loss.
@ yo
Cter amino ions + H2O loss.
@ bstar
Nter acylium ions + NH3 loss.
@ b
Nter acylium ions.
@ x
Cter acylium ions.
@ bo
Nter acylium ions + H2O loss.
@ ao
Nter aldimine ions + H2O loss.
@ z
Cter carbocations.

References _bar_width, _intensity_range, _map_ion_type_bars, _mass_delta_range, _mz_range, _p_delta_axis_rect, _p_delta_graph, _p_peak_bars, _p_peak_bars_isotope, _parent, pappso::a, pappso::ao, pappso::astar, pappso::b, pappso::bo, pappso::bp, pappso::bstar, pappso::c, pappso::PeptideFragmentIon::getPeptideIonColor(), mp_peak_bars_precursor, setMzRangeChanged(), pappso::x, pappso::y, pappso::yo, pappso::yp, pappso::ystar, and pappso::z.

◆ ~QCPSpectrum()

QCPSpectrum::~QCPSpectrum ( )
protected

Definition at line 154 of file qcpspectrum.cpp.

155 {
156 }

Member Function Documentation

◆ addMassDelta()

void QCPSpectrum::addMassDelta ( const PeakIonIsotopeMatch peak_ion_match)
protected

Definition at line 454 of file qcpspectrum.cpp.

455 {
456  if(_p_delta_axis_rect != nullptr)
457  {
458  // observed - theoretical
459  double diff =
460  peak_ion_match.getPeak().x -
461  peak_ion_match.getPeptideNaturalIsotopeAverageSp().get()->getMz();
462  _p_delta_graph->addData(peak_ion_match.getPeak().x, diff);
463 
464  if(diff > _mass_delta_range.upper)
465  _mass_delta_range.upper = diff;
466  if(diff < _mass_delta_range.lower)
467  _mass_delta_range.lower = diff;
468 
469  _p_delta_axis_rect->axis(QCPAxis::AxisType::atLeft)
470  ->setRange(_mass_delta_range);
471  }
472 }
virtual const PeptideNaturalIsotopeAverageSp & getPeptideNaturalIsotopeAverageSp() const
const DataPoint & getPeak() const
pappso_double x
Definition: datapoint.h:23

References _mass_delta_range, _p_delta_axis_rect, _p_delta_graph, pappso::PeakIonMatch::getPeak(), pappso::PeakIonIsotopeMatch::getPeptideNaturalIsotopeAverageSp(), and pappso::DataPoint::x.

Referenced by pappso::MassSpectrumWidget::plot().

◆ addMs1IsotopePattern()

void QCPSpectrum::addMs1IsotopePattern ( const std::vector< pappso::PeptideNaturalIsotopeAverageSp > &  isotope_mass_list,
pappso_double  intensity 
)
protected

Definition at line 482 of file qcpspectrum.cpp.

485 {
486  pappso_double total_intensity =
487  ((pappso_double)1.0 / isotope_mass_list.at(0).get()->getIntensityRatio()) *
488  intensity;
489  for(PeptideNaturalIsotopeAverageSp peptide : isotope_mass_list)
490  {
491  _p_peak_bars_isotope->addData(peptide.get()->getMz(),
492  peptide.get()->getIntensityRatio() *
493  total_intensity);
494  }
495 }
double pappso_double
A type definition for doubles.
Definition: types.h:49
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp

References _p_peak_bars_isotope.

Referenced by pappso::MassSpectrumWidget::plot().

◆ addPeakIonIsotopeMatch()

void QCPSpectrum::addPeakIonIsotopeMatch ( const PeakIonIsotopeMatch peak_ion_match)
protected

Definition at line 475 of file qcpspectrum.cpp.

476 {
477  _map_ion_type_bars[peak_ion_match.getPeptideIonType()]->addData(
478  peak_ion_match.getPeak().x, peak_ion_match.getPeak().y);
479 }
PeptideIon getPeptideIonType() const
pappso_double y
Definition: datapoint.h:24

References _map_ion_type_bars, pappso::PeakIonMatch::getPeak(), pappso::PeakIonMatch::getPeptideIonType(), pappso::DataPoint::x, and pappso::DataPoint::y.

Referenced by pappso::MassSpectrumWidget::plot().

◆ clearData()

void QCPSpectrum::clearData ( )
protected

Definition at line 244 of file qcpspectrum.cpp.

245 {
246  qDebug();
247  _p_peak_bars->setData(QVector<double>(), QVector<double>());
248  _p_peak_bars->data().clear();
249  qDebug();
250  _p_peak_bars_isotope->setData(QVector<double>(), QVector<double>());
251  _p_peak_bars_isotope->data().clear();
252  qDebug();
253  mp_peak_bars_precursor->setData(QVector<double>(), QVector<double>());
254  mp_peak_bars_precursor->data().clear();
255  for(std::pair<PeptideIon, QCPBars *> pair_ion_bar : _map_ion_type_bars)
256  {
257  pair_ion_bar.second->setData(QVector<double>(), QVector<double>());
258  pair_ion_bar.second->data().clear();
259  }
260  // this->clearPlottables();
261  // this->clearItems();
262  if(_p_delta_axis_rect != nullptr)
263  {
264  _p_delta_graph->setData(QVector<double>(), QVector<double>());
265  _p_delta_graph->data().clear();
266  }
267 
268  _mz_range.lower = 0;
269  _mz_range.upper = 0;
270 
271  _mass_delta_range.upper = -100;
272  _mass_delta_range.lower = 100;
273  qDebug();
274 }

References _map_ion_type_bars, _mass_delta_range, _mz_range, _p_delta_axis_rect, _p_delta_graph, _p_peak_bars, _p_peak_bars_isotope, and mp_peak_bars_precursor.

Referenced by pappso::MassSpectrumWidget::clearData().

◆ getMostIntensePeakBetween()

void QCPSpectrum::getMostIntensePeakBetween ( pappso_double  mz,
pappso_double  mouse_mz_range 
) const
private

Definition at line 422 of file qcpspectrum.cpp.

424 {
425  /*qDebug() << "QCPSpectrum::getNearestPeakBetween begin " << mz << " "
426  << mouse_mz_range;*/
427  const DataPoint *p_peak_match;
428  p_peak_match = nullptr;
429  pappso_double min = mz - mouse_mz_range;
430  pappso_double max = mz + mouse_mz_range;
431 
432  for(const DataPoint &peak : *_p_spectrum)
433  {
434  if((peak.x > min) && (peak.x < max))
435  {
436  if(p_peak_match == nullptr)
437  {
438  p_peak_match = &peak;
439  }
440  else
441  {
442  if(p_peak_match->y < peak.y)
443  {
444  p_peak_match = &peak;
445  }
446  }
447  }
448  }
449  _parent->peakChangeEvent(p_peak_match);
450  // qDebug() << "QCPSpectrum::getNearestPeakBetween end";
451 }
void peakChangeEvent(const DataPoint *p_peak_match)
const MassSpectrum * _p_spectrum
Definition: qcpspectrum.h:83
@ max
maximum of intensities

References _p_spectrum, _parent, pappso::max, pappso::mz, pappso::MassSpectrumWidget::peakChangeEvent(), and pappso::DataPoint::y.

Referenced by mouseMoveEvent().

◆ getNearestPeakBetween()

void QCPSpectrum::getNearestPeakBetween ( pappso_double  mz,
pappso_double  mouse_mz_range 
) const
private

Definition at line 389 of file qcpspectrum.cpp.

391 {
392  /*qDebug() << "QCPSpectrum::getNearestPeakBetween begin " << mz << " "
393  << mouse_mz_range;*/
394  const DataPoint *p_peak_match;
395  p_peak_match = nullptr;
396  pappso_double min = mz - mouse_mz_range;
397  pappso_double max = mz + mouse_mz_range;
398 
399  for(const DataPoint &peak : *_p_spectrum)
400  {
401  if((peak.x > min) && (peak.x < max))
402  {
403  if(p_peak_match == nullptr)
404  {
405  p_peak_match = &peak;
406  }
407  else
408  {
409  if(fabs(mz - peak.x) < fabs(mz - p_peak_match->x))
410  {
411  p_peak_match = &peak;
412  }
413  }
414  }
415  }
416  _parent->peakChangeEvent(p_peak_match);
417  // qDebug() << "QCPSpectrum::getNearestPeakBetween end";
418 }

References _p_spectrum, _parent, pappso::max, pappso::mz, pappso::MassSpectrumWidget::peakChangeEvent(), and pappso::DataPoint::x.

◆ highlightPrecursorPeaks()

void pappso::QCPSpectrum::highlightPrecursorPeaks ( double  precursor_mz,
int  charge,
PrecisionPtr  ms2_precision 
)
protected

Definition at line 498 of file qcpspectrum.cpp.

501 {
502  MzRange range(precursor_mz, ms2_precision);
503  double precursor_mz_c13 = precursor_mz + (DIFFC12C13 / charge);
504  MzRange range_c13(precursor_mz_c13, ms2_precision);
505 
506  for(const DataPoint &peak : *_p_spectrum)
507  {
508  if(((peak.x > range.lower()) && (peak.x < range.upper())) ||
509  ((peak.x > range_c13.lower()) && (peak.x < range_c13.upper())))
510  {
511  mp_peak_bars_precursor->addData(peak.x, peak.y);
512  QCPItemText *text_label = new QCPItemText(this);
513  text_label->setVisible(true);
514  text_label->setPositionAlignment(Qt::AlignBottom | Qt::AlignHCenter);
515  text_label->position->setType(QCPItemPosition::ptPlotCoords);
516  text_label->position->setCoords(peak.x, peak.y);
517  // place position at center/top of axis rect
518  text_label->setFont(QFont(font().family(), 8));
519  text_label->setText("precursor");
520  text_label->setColor(Qt::cyan);
521  }
522  }
523 }
const pappso_double DIFFC12C13(1.0033548378)

References pappso::DIFFC12C13(), pappso::MzRange::lower(), and pappso::MzRange::upper().

◆ keyPressEvent()

void QCPSpectrum::keyPressEvent ( QKeyEvent *  event)
overrideprotectedvirtual

Definition at line 277 of file qcpspectrum.cpp.

278 {
279  if(event->key() == Qt::Key_Control)
280  {
281  _control_key = true;
282  }
283  qDebug() << "QCPSpectrum::keyPressEvent end";
284 }

References _control_key.

◆ keyReleaseEvent()

void QCPSpectrum::keyReleaseEvent ( QKeyEvent *  event)
overrideprotectedvirtual

Definition at line 287 of file qcpspectrum.cpp.

288 {
289  if(event->key() == Qt::Key_Control)
290  {
291  _control_key = false;
292  }
293  qDebug() << "QCPSpectrum::keyReleaseEvent end";
294 }

References _control_key.

◆ mouseMoveEvent()

void QCPSpectrum::mouseMoveEvent ( QMouseEvent *  event)
overrideprotectedvirtual

Definition at line 325 of file qcpspectrum.cpp.

326 {
327 
328 #if QT_VERSION < 0x060000
329  pappso::pappso_double x = xAxis->pixelToCoord(event->x());
330 #else
331  pappso::pappso_double x = xAxis->pixelToCoord(event->position().x());
332 #endif
333  if(_click)
334  {
335  /* qDebug() << "QCPSpectrum::mouseMoveEvent begin "
336  << xAxis->pixelToCoord(event->x()) << " "
337  << yAxis->pixelToCoord(event->y());*/
338 
339 #if QT_VERSION < 0x060000
340  pappso::pappso_double y = yAxis->pixelToCoord(event->y());
341 #else
342  pappso::pappso_double y = yAxis->pixelToCoord(event->position().y());
343 #endif
344  if(y < 0)
345  {
346  y = 0;
347  }
348  if(_control_key)
349  {
350  if(y > 0)
351  {
352  this->yAxis->scaleRange(_old_y / y, 0);
353  }
354  }
355  else
356  {
357 
358 #if QT_VERSION < 0x060000
359  this->xAxis->moveRange(xAxis->pixelToCoord(_old_x) -
360  xAxis->pixelToCoord(event->x()));
361 #else
362  this->xAxis->moveRange(xAxis->pixelToCoord(_old_x) -
363  xAxis->pixelToCoord(event->position().x()));
364 #endif
365  }
366 
367 #if QT_VERSION < 0x060000
368  _old_x = event->x();
369 #else
370  _old_x = event->position().x();
371 #endif
372  _old_y = y;
373  replot();
374  // qDebug() << "QCPSpectrum::mouseMoveEvent end";
375  }
376  else
377  {
378  if(_p_spectrum != nullptr)
379  {
380  pappso::pappso_double mouse_mz_range =
381  xAxis->pixelToCoord(10) - xAxis->pixelToCoord(8);
382  getMostIntensePeakBetween(x, mouse_mz_range);
384  }
385  }
386 }
void mzChangeEvent(pappso_double mz) const
pappso::pappso_double _old_x
Definition: qcpspectrum.h:96
void getMostIntensePeakBetween(pappso_double mz, pappso_double mouse_mz_range) const
pappso::pappso_double _old_y
Definition: qcpspectrum.h:97

References _click, _control_key, _old_x, _old_y, _p_spectrum, _parent, getMostIntensePeakBetween(), pappso::MassSpectrumWidget::mzChangeEvent(), pappso::x, and pappso::y.

◆ mousePressEvent()

void QCPSpectrum::mousePressEvent ( QMouseEvent *  event)
overrideprotectedvirtual

Definition at line 297 of file qcpspectrum.cpp.

298 {
299  /*qDebug() << "QCPSpectrum::mousePressEvent begin "
300  << xAxis->pixelToCoord(event->x()) << " "
301  << yAxis->pixelToCoord(event->y());*/
302  _click = true;
303 
304 #if QT_VERSION < 0x060000
305  _old_x = event->x();
306  _old_y = yAxis->pixelToCoord(event->y());
307 #else
308  _old_x = event->position().x();
309  _old_y = yAxis->pixelToCoord(event->position().y());
310 #endif
311  if(_old_y < 0)
312  _old_y = 0;
313  /* qDebug() << "QCPSpectrum::mousePressEvent end";*/
314 }

References _click, _old_x, and _old_y.

◆ mouseReleaseEvent()

void QCPSpectrum::mouseReleaseEvent ( QMouseEvent *  event)
overrideprotectedvirtual

Definition at line 316 of file qcpspectrum.cpp.

317 {
318  /*qDebug() << "QCPSpectrum::mouseReleaseEvent begin "
319  << xAxis->pixelToCoord(event->x()) << " "
320  << yAxis->pixelToCoord(event->y());*/
321  _click = false;
322  // qDebug() << "QCPSpectrum::mouseReleaseEvent end";
323 }

References _click.

◆ rescale()

void QCPSpectrum::rescale ( )
protected

Definition at line 190 of file qcpspectrum.cpp.

191 {
192  _p_peak_bars->setVisible(true);
193 
194  //_p_peak_bars->rescaleAxes(false);
195  // this->rescaleAxes(false);
196 
197 
198  if(_mz_range.lower < 0)
199  {
200  _mz_range.lower = 0;
201  }
202  if(_mz_range.upper < 0)
203  {
204  _mz_range.upper = 1000;
205  }
206  else
207  {
208  xAxis->setRange(_mz_range);
209  yAxis->setRange(_intensity_range);
210  if(_p_delta_axis_rect != nullptr)
211  {
212  _p_delta_axis_rect->axis(QCPAxis::AxisType::atLeft)
213  ->setRange(_mass_delta_range);
214  }
215  }
216 }

References _intensity_range, _mass_delta_range, _mz_range, _p_delta_axis_rect, and _p_peak_bars.

Referenced by pappso::MassSpectrumWidget::rescale().

◆ setMzRangeChanged()

void QCPSpectrum::setMzRangeChanged ( QCPRange  range)
private

Definition at line 219 of file qcpspectrum.cpp.

220 {
221  qDebug() << "QCPSpectrum::setMzRangeChanged _mz_range.lower"
222  << _mz_range.lower;
223  if(_mz_range.lower > 0)
224  {
225  if(range.lower < _mz_range.lower)
226  {
227  range.lower = _mz_range.lower;
228  }
229  if(range.upper > _mz_range.upper)
230  {
231  range.upper = _mz_range.upper;
232  }
233  }
234 
235  xAxis->setRange(range);
236 
237  if(_p_delta_axis_rect != nullptr)
238  {
239  _p_delta_axis_rect->axis(QCPAxis::atBottom)->setRange(range);
240  }
241 }

References _mz_range, and _p_delta_axis_rect.

Referenced by QCPSpectrum().

◆ setSpectrumP()

void QCPSpectrum::setSpectrumP ( const MassSpectrum spectrum)
protected

Definition at line 159 of file qcpspectrum.cpp.

160 {
161  _mass_delta_range.upper = -100;
162  _mass_delta_range.lower = 100;
163  // generate basic peaks:
164  _p_spectrum = spectrum;
165  if((spectrum != nullptr) && (spectrum->size() != 0))
166  {
167  // throw PappsoException(QObject::tr("Error in
168  // SpectrumWidget::setSpectrumSp :\n_spectrum_sp.get() == nullptr"));
169  //}
170  _p_peak_bars->setVisible(true);
171  for(const DataPoint &peak : *spectrum)
172  {
173  _p_peak_bars->addData(peak.x, peak.y);
174  }
175  _mz_range.lower = spectrum->front().x - 1;
176  _mz_range.upper = spectrum->back().x + 1;
177  _intensity_range.lower = 0;
178  _intensity_range.upper = spectrum->maxY();
179  }
180  else
181  {
182  _mz_range.lower = 0;
183  _mz_range.upper = 0;
184  _intensity_range.lower = 0;
185  _intensity_range.upper = 0;
186  }
187 }

References _intensity_range, _mass_delta_range, _mz_range, _p_peak_bars, and _p_spectrum.

Referenced by pappso::MassSpectrumWidget::clearData().

Friends And Related Function Documentation

◆ MassSpectrumWidget

friend class MassSpectrumWidget
friend

Definition at line 49 of file qcpspectrum.h.

Member Data Documentation

◆ _bar_width

double pappso::QCPSpectrum::_bar_width = 0.5
private

Definition at line 93 of file qcpspectrum.h.

Referenced by QCPSpectrum().

◆ _click

bool pappso::QCPSpectrum::_click = false
private

Definition at line 94 of file qcpspectrum.h.

Referenced by mouseMoveEvent(), mousePressEvent(), and mouseReleaseEvent().

◆ _control_key

bool pappso::QCPSpectrum::_control_key = false
private

Definition at line 95 of file qcpspectrum.h.

Referenced by keyPressEvent(), keyReleaseEvent(), and mouseMoveEvent().

◆ _intensity_range

QCPRange pappso::QCPSpectrum::_intensity_range
private

Definition at line 85 of file qcpspectrum.h.

Referenced by QCPSpectrum(), rescale(), and setSpectrumP().

◆ _map_ion_type_bars

std::map<PeptideIon, QCPBars *> pappso::QCPSpectrum::_map_ion_type_bars
private

Definition at line 90 of file qcpspectrum.h.

Referenced by QCPSpectrum(), addPeakIonIsotopeMatch(), and clearData().

◆ _mass_delta_range

QCPRange pappso::QCPSpectrum::_mass_delta_range
private

Definition at line 86 of file qcpspectrum.h.

Referenced by QCPSpectrum(), addMassDelta(), clearData(), rescale(), and setSpectrumP().

◆ _mz_range

QCPRange pappso::QCPSpectrum::_mz_range
private

Definition at line 84 of file qcpspectrum.h.

Referenced by QCPSpectrum(), clearData(), rescale(), setMzRangeChanged(), and setSpectrumP().

◆ _old_x

pappso::pappso_double pappso::QCPSpectrum::_old_x
private

Definition at line 96 of file qcpspectrum.h.

Referenced by mouseMoveEvent(), and mousePressEvent().

◆ _old_y

pappso::pappso_double pappso::QCPSpectrum::_old_y
private

Definition at line 97 of file qcpspectrum.h.

Referenced by mouseMoveEvent(), and mousePressEvent().

◆ _p_delta_axis_rect

QCPAxisRect* pappso::QCPSpectrum::_p_delta_axis_rect
private

Definition at line 91 of file qcpspectrum.h.

Referenced by QCPSpectrum(), addMassDelta(), clearData(), rescale(), and setMzRangeChanged().

◆ _p_delta_graph

QCPGraph* pappso::QCPSpectrum::_p_delta_graph
private

Definition at line 92 of file qcpspectrum.h.

Referenced by QCPSpectrum(), addMassDelta(), and clearData().

◆ _p_peak_bars

QCPBars* pappso::QCPSpectrum::_p_peak_bars
private

Definition at line 87 of file qcpspectrum.h.

Referenced by QCPSpectrum(), clearData(), rescale(), and setSpectrumP().

◆ _p_peak_bars_isotope

QCPBars* pappso::QCPSpectrum::_p_peak_bars_isotope
private

Definition at line 88 of file qcpspectrum.h.

Referenced by QCPSpectrum(), addMs1IsotopePattern(), and clearData().

◆ _p_spectrum

const MassSpectrum* pappso::QCPSpectrum::_p_spectrum = nullptr
private

◆ _parent

MassSpectrumWidget* pappso::QCPSpectrum::_parent
private

◆ mp_peak_bars_precursor

QCPBars* pappso::QCPSpectrum::mp_peak_bars_precursor
private

Definition at line 89 of file qcpspectrum.h.

Referenced by QCPSpectrum(), and clearData().


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