libpappsomspp
Library for mass spectrometry
qcpspectrum.h
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1 /**
2  * \file pappsomspp/widget/spectrumwidget/qcpspectrum.h
3  * \date 31/12/2017
4  * \author Olivier Langella
5  * \brief Custom plot derivative to plot a spectrum
6  */
7 
8 
9 /*******************************************************************************
10  * Copyright (c) 2017 Olivier Langella <Olivier.Langella@u-psud.fr>.
11  *
12  * This file is part of the PAPPSOms++ library.
13  *
14  * PAPPSOms++ is free software: you can redistribute it and/or modify
15  * it under the terms of the GNU General Public License as published by
16  * the Free Software Foundation, either version 3 of the License, or
17  * (at your option) any later version.
18  *
19  * PAPPSOms++ is distributed in the hope that it will be useful,
20  * but WITHOUT ANY WARRANTY; without even the implied warranty of
21  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
22  * GNU General Public License for more details.
23  *
24  * You should have received a copy of the GNU General Public License
25  * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
26  *
27  * Contributors:
28  * Olivier Langella <Olivier.Langella@u-psud.fr> - initial API and
29  *implementation
30  ******************************************************************************/
31 
32 
33 #pragma once
34 
35 
36 #include <qcustomplot.h>
37 #include "../../psm/peakionisotopematch.h"
38 #include "../../types.h"
39 
40 namespace pappso
41 {
42 
43 class MassSpectrumWidget;
44 
45 class QCPSpectrum : public QCustomPlot
46 {
47  Q_OBJECT
48  protected:
49  friend class MassSpectrumWidget;
50  QCPSpectrum(MassSpectrumWidget *parent, bool visible);
51  ~QCPSpectrum();
52 
53  protected:
54  void clearData();
55  void rescale();
56  void setSpectrumP(const MassSpectrum *spectrum);
57  void addMassDelta(const PeakIonIsotopeMatch &peak_ion_match);
58  void
59  addMs1IsotopePattern(const std::vector<pappso::PeptideNaturalIsotopeAverageSp>
60  &isotope_mass_list,
61  pappso_double intensity);
62  void addPeakIonIsotopeMatch(const PeakIonIsotopeMatch &peak_ion_match);
63  void highlightPrecursorPeaks(double precursor_mz,
64  int charge,
65  PrecisionPtr ms2_precision);
66  virtual void mouseMoveEvent(QMouseEvent *event) override;
67  virtual void mousePressEvent(QMouseEvent *event) override;
68  virtual void mouseReleaseEvent(QMouseEvent *event) override;
69  virtual void keyPressEvent(QKeyEvent *event) override;
70  virtual void keyReleaseEvent(QKeyEvent *event) override;
71 
72  private:
74  pappso_double mouse_mz_range) const;
76  pappso_double mouse_mz_range) const;
77 
78  private:
79  Q_SLOT void setMzRangeChanged(QCPRange range);
80 
81  private:
83  const MassSpectrum *_p_spectrum = nullptr;
84  QCPRange _mz_range;
85  QCPRange _intensity_range;
87  QCPBars *_p_peak_bars;
90  std::map<PeptideIon, QCPBars *> _map_ion_type_bars;
91  QCPAxisRect *_p_delta_axis_rect;
92  QCPGraph *_p_delta_graph;
93  double _bar_width = 0.5;
94  bool _click = false;
95  bool _control_key = false;
98 };
99 
100 
101 } // namespace pappso
Class to represent a mass spectrum.
Definition: massspectrum.h:71
QCPGraph * _p_delta_graph
Definition: qcpspectrum.h:92
void highlightPrecursorPeaks(double precursor_mz, int charge, PrecisionPtr ms2_precision)
virtual void keyPressEvent(QKeyEvent *event) override
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
void addPeakIonIsotopeMatch(const PeakIonIsotopeMatch &peak_ion_match)
QCPSpectrum(MassSpectrumWidget *parent, bool visible)
Definition: qcpspectrum.cpp:37
virtual void mouseReleaseEvent(QMouseEvent *event) override
QCPRange _intensity_range
Definition: qcpspectrum.h:85
void addMassDelta(const PeakIonIsotopeMatch &peak_ion_match)
void getNearestPeakBetween(pappso_double mz, pappso_double mouse_mz_range) const
virtual void mouseMoveEvent(QMouseEvent *event) override
pappso::pappso_double _old_x
Definition: qcpspectrum.h:96
void getMostIntensePeakBetween(pappso_double mz, pappso_double mouse_mz_range) const
QCPBars * mp_peak_bars_precursor
Definition: qcpspectrum.h:89
void setSpectrumP(const MassSpectrum *spectrum)
void addMs1IsotopePattern(const std::vector< pappso::PeptideNaturalIsotopeAverageSp > &isotope_mass_list, pappso_double intensity)
std::map< PeptideIon, QCPBars * > _map_ion_type_bars
Definition: qcpspectrum.h:90
virtual void keyReleaseEvent(QKeyEvent *event) override
QCPBars * _p_peak_bars_isotope
Definition: qcpspectrum.h:88
const MassSpectrum * _p_spectrum
Definition: qcpspectrum.h:83
virtual void mousePressEvent(QMouseEvent *event) override
Q_SLOT void setMzRangeChanged(QCPRange range)
pappso::pappso_double _old_y
Definition: qcpspectrum.h:97
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
double pappso_double
A type definition for doubles.
Definition: types.h:49