libpappsomspp
Library for mass spectrometry
qcpxic.cpp
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1/**
2 * \file pappsomspp/widget/xicwidget/qcpxic.cpp
3 * \date 12/1/2018
4 * \author Olivier Langella
5 * \brief custom plot XIC
6 */
7
8
9/*******************************************************************************
10 * Copyright (c) 2018 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#include "qcpxic.h"
34#include "../../processing/detection/tracepeak.h"
35
36using namespace pappso;
37
38QCPXic::QCPXic(XicWidget *parent) : QCustomPlot(parent)
39{
40 qDebug() << "QCPXic::QCPXic begin";
41 _parent = parent;
42 setFocusPolicy(Qt::ClickFocus);
43
45 {
46 xAxis->setLabel("retention time (sec)");
47 }
48 else
49 {
50 xAxis->setLabel("retention time (min)");
51 }
52
53 yAxis->setLabel("intensity");
54 setInteractions(QCP::iRangeDrag | QCP::iRangeZoom);
55 axisRect()->setRangeDrag(Qt::Horizontal);
56 axisRect()->setRangeZoom(Qt::Horizontal);
57
58 connect(this->xAxis,
59 SIGNAL(rangeChanged(QCPRange)),
60 this,
61 SLOT(setRtRangeChanged(QCPRange)));
62
63 //
64 // http://tools.medialab.sciences-po.fr/iwanthue/
65 _colours = {QColor(197, 89, 110),
66 QColor(94, 185, 86),
67 QColor(132, 95, 203),
68 QColor(176, 175, 69),
69 QColor(202, 72, 160),
70 QColor(91, 126, 59),
71 QColor(193, 126, 189),
72 QColor(81, 183, 159),
73 QColor(210, 77, 58),
74 QColor(99, 137, 203),
75 QColor(223, 147, 71),
76 QColor(156, 105, 52)};
77
78 qDebug() << "QCPXic::QCPXic end";
79}
81{
82}
83void
84QCPXic::keyPressEvent(QKeyEvent *event)
85{
86 if(event->key() == Qt::Key_Control)
87 {
88 _control_key = true;
89 }
90 qDebug() << "QCPXic::keyPressEvent end";
91}
92
93void
94QCPXic::keyReleaseEvent(QKeyEvent *event)
95{
96 if(event->key() == Qt::Key_Control)
97 {
98 _control_key = false;
99 }
100 qDebug() << "QCPXic::keyReleaseEvent end";
101}
102
103void
104QCPXic::mousePressEvent(QMouseEvent *event)
105{
106 qDebug() << " begin ";
107 _mouse_move = false;
108 _click = true;
109 _old_x = event->position().x();
110 _old_y = yAxis->pixelToCoord(event->position().y());
111 if(_old_y < 0)
112 {
113 _old_y = 0;
114 }
115 else
116 {
117 }
118 qDebug() << "QCPXic::mousePressEvent end";
119}
120void
121QCPXic::mouseReleaseEvent(QMouseEvent *event)
122{
123 qDebug() << "QCPXic::mouseReleaseEvent begin "
124 << xAxis->pixelToCoord(event->position().x()) << " "
125 << yAxis->pixelToCoord(event->position().y());
126 _click = false;
127 if(_mouse_move)
128 {
129 _mouse_move = false;
130 }
131 else
132 {
134 }
135 qDebug() << "QCPXic::mouseReleaseEvent end";
136}
137void
138QCPXic::mouseMoveEvent(QMouseEvent *event)
139{
140 _mouse_move = true;
141 pappso::pappso_double x = xAxis->pixelToCoord(event->position().x());
142 if(_click)
143 {
144 qDebug() << "QCPXic::mouseMoveEvent begin "
145 << xAxis->pixelToCoord(event->position().x()) << " "
146 << yAxis->pixelToCoord(event->position().y());
147 pappso::pappso_double y = yAxis->pixelToCoord(event->position().y());
148 if(y < 0)
149 {
150 y = 0;
151 }
152 if(_control_key)
153 {
154 if(y > 0)
155 {
156 this->yAxis->scaleRange(_old_y / y, 0);
157 }
158 }
159 else
160 {
161 this->xAxis->moveRange(xAxis->pixelToCoord(_old_x) -
162 xAxis->pixelToCoord(event->position().x()));
163 }
164 _old_x = event->position().x();
165 _old_y = y;
166 replot();
167 qDebug() << "QCPXic::mouseMoveEvent end";
168 }
169 else
170 {
171 if(_map_xic_graph.size() > 0)
172 {
173 // pappso::pappso_double mouse_mz_range = xAxis->pixelToCoord(10) -
174 // xAxis->pixelToCoord(5); getNearestPeakBetween(x, mouse_mz_range);
176 }
177 }
178}
179
180QCPGraph *
181QCPXic::addXicP(const Xic *xic_p)
182{
183
184 _graph_color = _colours[(int)(_map_xic_graph.size() % _colours.size())];
185
186 QCPGraph *graph_xic = addGraph();
187 graph_xic->setPen(QPen(_graph_color));
188 _map_xic_graph.insert(std::pair<const Xic *, QCPGraph *>(xic_p, graph_xic));
189 graph_xic->setScatterStyle(QCPScatterStyle(QCPScatterStyle::ssDisc, 2.0));
190
191 if(xic_p->size() > 0)
192 {
193 for(const DataPoint &element : *xic_p)
194 {
195 graph_xic->addData(getRetentionTimeFromSecondsToLocal(element.x),
196 element.y);
197 }
198 if(_rt_range.lower > getRetentionTimeFromSecondsToLocal(xic_p->front().x))
199 _rt_range.lower =
200 getRetentionTimeFromSecondsToLocal(xic_p->front().x) - 1;
201 if(_rt_range.upper < getRetentionTimeFromSecondsToLocal(xic_p->back().x))
202 _rt_range.upper =
203 getRetentionTimeFromSecondsToLocal(xic_p->back().x) + 1;
204 _intensity_range.lower = 0;
205 if(_intensity_range.upper < xic_p->maxYDataPoint().y)
206 _intensity_range.upper = xic_p->maxYDataPoint().y;
207 }
208
209 return graph_xic;
210}
211
212
213void
215{
216}
217
218
219void
221{
222 qDebug() << "QCPXic::setMzRangeChanged _rt_range.lower" << _rt_range.lower;
223 if(range.lower < _rt_range.lower)
224 {
225 range.lower = _rt_range.lower;
226 }
227 if(range.upper > _rt_range.upper)
228 {
229 range.upper = _rt_range.upper;
230 }
231
232 xAxis->setRange(range);
233}
234
235
236void
238{
239 _current_ms2_event = new QCPItemTracer(this);
240 // itemDemoPhaseTracer = phaseTracer; // so we can access it later in the
241 // bracketDataSlot for animation
242
243 _current_ms2_event->setGraph(_map_xic_graph.at(xic_p));
245 _current_ms2_event->setInterpolating(true);
246 _current_ms2_event->setStyle(QCPItemTracer::tsCircle);
247 _current_ms2_event->setPen(QPen(Qt::red));
248 _current_ms2_event->setBrush(Qt::red);
249 _current_ms2_event->setSize(7);
250
251 // addItem(_current_ms2_event);
252}
253
254void
255QCPXic::setName(const Xic *xic_p, const QString &name)
256{
257 _map_xic_graph.at(xic_p)->addToLegend();
258 _map_xic_graph.at(xic_p)->setName(name);
259}
260
261
262void
264{
265 legend->clearItems();
266 _map_xic_graph.clear();
267 this->clearGraphs();
268 this->clearItems();
269 this->clearPlottables();
270}
271
272
273void
275 const Xic *xic_p, const std::vector<pappso::TracePeakCstSPtr> &xic_peak_list)
276{
277 for(const pappso::TracePeakCstSPtr &peak : xic_peak_list)
278 {
279 _graph_peak_surface_list.push_back(addGraph());
280 for(auto &xic_element : *(xic_p))
281 {
282 if(peak.get()->containsRt(xic_element.x))
283 {
284 _graph_peak_surface_list.back()->addData(
286 xic_element.y);
287 }
288 }
289 // graph()->setData(rt_peak, intensity_peak);
290 _graph_peak_surface_list.back()->removeFromLegend();
291 _graph_peak_surface_list.back()->setChannelFillGraph(0);
292 _graph_peak_surface_list.back()->setLineStyle(
293 QCPGraph::LineStyle::lsLine);
294 QColor color = _colours[_graph_peak_surface_list.size() % 12];
295 color.setAlpha(0);
296 // QColor(0, 110, 110, 30)
297 _graph_peak_surface_list.back()->setPen(QPen(color));
298 color.setAlpha(40);
299 //_graph_peak_surface_list.back()->setScatterStyle(QCPScatterStyle::ssDot);
300 _graph_peak_surface_list.back()->setBrush(QBrush(color));
301 }
302}
303
306{
308 {
309 return rt;
310 }
311 else
312 {
313 return (rt / (pappso::pappso_double)60);
314 }
315}
316
319{
321 {
322 return rt;
323 }
324 else
325 {
326 return (rt * (pappso::pappso_double)60);
327 }
328}
329
330void
332 const Xic *xic_p,
333 const pappso::TracePeak *p_xic_peak)
334{
335 QCPGraph *p_graph = _map_xic_graph.at(xic_p);
336 QColor color = _colours[i % 12];
337 // color.setAlpha(95);
338
339 QCPItemTracer *p_peak_border_left = new QCPItemTracer(this);
340 // itemDemoPhaseTracer = phaseTracer; // so we can access it later in the
341 // bracketDataSlot for animation
342 QPen border_pen(color);
343 border_pen.setWidth(3);
344
345 p_peak_border_left->setGraph(p_graph);
346 p_peak_border_left->setGraphKey(
348 p_peak_border_left->setInterpolating(true);
349 p_peak_border_left->setStyle(QCPItemTracer::tsPlus);
350 p_peak_border_left->setPen(border_pen);
351 p_peak_border_left->setBrush(color);
352 p_peak_border_left->setSize(30);
353
354 _graph_peak_border_list.push_back(p_peak_border_left);
355
356 // addItem(p_peak_border_left);
357
358 QPen apex_pen(color);
359 apex_pen.setWidth(2);
360 p_peak_border_left = new QCPItemTracer(this);
361 p_peak_border_left->setGraph(_map_xic_graph.at(xic_p));
362 p_peak_border_left->setGraphKey(
364 p_peak_border_left->setInterpolating(true);
365 p_peak_border_left->setStyle(QCPItemTracer::tsPlus);
366 p_peak_border_left->setPen(apex_pen);
367 p_peak_border_left->setBrush(color);
368 p_peak_border_left->setSize(8);
369
370 _graph_peak_border_list.push_back(p_peak_border_left);
371
372 // addItem(p_peak_border_left);
373
374
375 p_peak_border_left = new QCPItemTracer(this);
376 p_peak_border_left->setGraph(_map_xic_graph.at(xic_p));
377 p_peak_border_left->setGraphKey(
379 p_peak_border_left->setInterpolating(true);
380 p_peak_border_left->setStyle(QCPItemTracer::tsPlus);
381 p_peak_border_left->setPen(border_pen);
382 p_peak_border_left->setBrush(color);
383 p_peak_border_left->setSize(30);
384
385 _graph_peak_border_list.push_back(p_peak_border_left);
386
387 // addItem(p_peak_border_left);
388
389 replot();
390}
391
392void
394{
395 for(QCPItemTracer *p_tracer : _graph_peak_border_list)
396 {
397 removeItem(p_tracer);
398 // delete p_tracer;
399 }
401 replot();
402}
bool _click
Definition: qcpxic.h:80
virtual void keyPressEvent(QKeyEvent *event) override
Definition: qcpxic.cpp:84
bool _mouse_move
Definition: qcpxic.h:81
void addMsMsEvent(const Xic *xic_p, pappso::pappso_double rt)
Definition: qcpxic.cpp:237
void clearXicPeakBorders()
Definition: qcpxic.cpp:393
std::vector< QColor > _colours
Definition: qcpxic.h:88
void clear()
Definition: qcpxic.cpp:263
std::vector< QCPItemTracer * > _graph_peak_border_list
Definition: qcpxic.h:90
bool _control_key
Definition: qcpxic.h:82
pappso::pappso_double _old_y
Definition: qcpxic.h:84
QCPRange _rt_range
Definition: qcpxic.h:78
pappso::pappso_double xAxisToSeconds(pappso::pappso_double rt) const
Definition: qcpxic.cpp:318
void setName(const Xic *xic_p, const QString &name)
Definition: qcpxic.cpp:255
QCPRange _intensity_range
Definition: qcpxic.h:79
pappso::pappso_double _old_x
Definition: qcpxic.h:83
std::vector< QCPGraph * > _graph_peak_surface_list
Definition: qcpxic.h:89
std::map< const Xic *, QCPGraph * > _map_xic_graph
Definition: qcpxic.h:86
Q_SLOT void setRtRangeChanged(QCPRange range)
Definition: qcpxic.cpp:220
pappso::pappso_double getRetentionTimeFromSecondsToLocal(pappso::pappso_double rt) const
Definition: qcpxic.cpp:305
virtual void mousePressEvent(QMouseEvent *event) override
Definition: qcpxic.cpp:104
void drawXicPeakBorders(unsigned int i, const Xic *xic_p, const pappso::TracePeak *p_xic_peak)
Definition: qcpxic.cpp:331
QCPItemTracer * _current_ms2_event
Definition: qcpxic.h:85
virtual void mouseMoveEvent(QMouseEvent *event) override
Definition: qcpxic.cpp:138
virtual void keyReleaseEvent(QKeyEvent *event) override
Definition: qcpxic.cpp:94
void addXicPeakList(const Xic *xic_p, const std::vector< pappso::TracePeakCstSPtr > &xic_peak_list)
Definition: qcpxic.cpp:274
void rescale()
Definition: qcpxic.cpp:214
QColor _graph_color
Definition: qcpxic.h:87
virtual void mouseReleaseEvent(QMouseEvent *event) override
Definition: qcpxic.cpp:121
XicWidget * _parent
Definition: qcpxic.h:77
QCPGraph * addXicP(const Xic *xic_p)
Definition: qcpxic.cpp:181
DataPoint & getLeftBoundary()
Definition: tracepeak.cpp:93
DataPoint & getMaxXicElement()
Definition: tracepeak.cpp:83
DataPoint & getRightBoundary()
Definition: tracepeak.cpp:104
void rtChangeEvent(pappso::pappso_double rt) const
Definition: xicwidget.cpp:165
void xicClickEvent(pappso::pappso_double rt, pappso::pappso_double intensity) const
Definition: xicwidget.cpp:243
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
@ rt
Retention time.
std::shared_ptr< const TracePeak > TracePeakCstSPtr
Definition: tracepeak.h:35
custom plot XIC
pappso_double x
Definition: datapoint.h:23