source: src/UIElements/Views/Qt4/QtHomologyList.cpp@ 8819d2

Candidate_v1.6.1 ChemicalSpaceEvaluator Gui_displays_atomic_force_velocity PythonUI_with_named_parameters TremoloParser_IncreasedPrecision
Last change on this file since 8819d2 was 3c9ac3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Qt..Lists now take note of subjectKilled propery.

  • Property mode set to 100644
File size: 11.5 KB
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1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2013 Frederik Heber. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * QtHomologyList.cpp
25 *
26 * Created on: Jun 24, 2013
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "Views/Qt4/QtHomologyList.hpp"
36#include "Views/Qt4/QtNumericalItem.hpp"
37
38#include <QAbstractItemView>
39#include <QtGui/QTreeWidget>
40#include <QtGui/QTabWidget>
41#include <Qt/qsettings.h>
42#include <Qt/qsplitter.h>
43#include <Qt/qboxlayout.h>
44
45//#include "CodePatterns/MemDebug.hpp"
46
47#include <iterator>
48#include <iostream>
49
50#include <boost/assign.hpp>
51
52#include "CodePatterns/Log.hpp"
53
54#include "Fragmentation/Homology/HomologyContainer.hpp"
55#include "FunctionApproximation/FunctionModel.hpp"
56#include "FunctionApproximation/TrainingData.hpp"
57#include "Potentials/CompoundPotential.hpp"
58#include "Potentials/EmpiricalPotential.hpp"
59#include "Potentials/InternalCoordinates/Coordinator.hpp"
60#include "Potentials/PotentialRegistry.hpp"
61#ifdef HAVE_QWT
62#include "UIElements/Views/Qt4/Plotting/QSeisData.hpp"
63#include "UIElements/Views/Qt4/Plotting/QSeisPageRegistry.hpp"
64#include "UIElements/Views/Qt4/Plotting/QSeisPlotCurve.hpp"
65#include "UIElements/Views/Qt4/Plotting/QSeisPlotPage.hpp"
66#include "UIElements/Views/Qt4/Plotting/QSeisCurveRegistry.hpp"
67#endif
68#include "World.hpp"
69
70using namespace std;
71
72using namespace boost::assign;
73
74const int QtHomologyList::COLUMNCOUNT = COLUMNTYPES_MAX;
75const char *QtHomologyList::COLUMNNAMES[QtHomologyList::COLUMNCOUNT]={"Number","Nodes","Edges","Occurrence"};
76
77QtHomologyList::QtHomologyList(QWidget * _parent) :
78 QWidget(_parent),
79 Observer("QtHomologyList"),
80 homologycontainer_enabled(false),
81 potentialregistry_enabled(false)
82{
83 QHBoxLayout* layout = new QHBoxLayout(this);
84 QSplitter *splitter = new QSplitter (Qt::Horizontal, this );
85 layout->addWidget(splitter);
86
87 // tree widget
88 treewidget = new QTreeWidget (splitter);
89 treewidget->setSelectionMode( QTreeWidget::SingleSelection );
90 treewidget->setColumnCount(COLUMNCOUNT);
91 treewidget->setSortingEnabled(true);
92 //treewidget->setSizePolicy( QSizePolicy::Minimum, sizePolicy().verticalPolicy() );
93 QStringList header;
94 for(int i=0; i<COLUMNCOUNT;++i)
95 header << COLUMNNAMES[i];
96 treewidget->setHeaderLabels(header);
97 treewidget->sortByColumn(0);
98 splitter->addWidget(treewidget);
99
100 // plot widget
101#ifdef HAVE_QWT
102 widget = new QSeisPlotPage ("energy", splitter);
103 //widget->setSizePolicy( QSizePolicy::MinimumExpanding, sizePolicy().verticalPolicy() );
104 QSeisPageRegistry::getInstance().registerInstance(widget);
105#else
106 widget = new QWidget(splitter);
107#endif
108 splitter->addWidget(widget);
109
110 dirty = true;
111
112 QSettings settings;
113 settings.beginGroup("QtHomologyList");
114 treewidget->resize(settings.value("treewidget_size", QSize(width()/2, 20)).toSize());
115 widget->resize(settings.value("plotwidget_size", QSize(width()/2, 20)).toSize());
116 settings.endGroup();
117
118
119 HomologyContainer &homologies = World::getInstance().getHomologies();
120 homologies.signOn(this);
121 homologycontainer_enabled = true;
122 PotentialRegistry::getInstance().signOn(this);
123 potentialregistry_enabled = true;
124
125#ifdef HAVE_QWT
126 //connect the PlotCurveRegistry directly to the PlotPage registry
127 connect(QSeisCurveRegistry::getPointer(), SIGNAL(curveAdded(std::string, QString)), QSeisPageRegistry::getPointer(), SLOT(addCurve(std::string, QString)));
128 connect(QSeisCurveRegistry::getPointer(), SIGNAL(curveRemoved(std::string, QString)), QSeisPageRegistry::getPointer(), SLOT(removeCurve(std::string, QString)));
129 connect(QSeisCurveRegistry::getPointer(), SIGNAL(curveChanged(std::string, QString)), QSeisPageRegistry::getPointer(), SLOT(updateCurve(std::string, QString)));
130#endif
131
132 connect(treewidget,SIGNAL(itemSelectionChanged()),this,SLOT(rowSelected()));
133 connect(this,SIGNAL(changed()),this,SLOT(update()));
134 connect(this,SIGNAL(needsRefill()),this,SLOT(refill()), Qt::QueuedConnection);
135
136 emit needsRefill();
137}
138
139QtHomologyList::~QtHomologyList()
140{
141 QSettings settings;
142 settings.beginGroup("QtHomologyList");
143 settings.setValue("treewidget_size", treewidget->size());
144 settings.setValue("plotwidget_size", widget->size());
145 settings.endGroup();
146
147
148 if (homologycontainer_enabled) {
149 HomologyContainer &homologies = World::getInstance().getHomologies();
150 homologies.signOff(this);
151 }
152 if (potentialregistry_enabled)
153 PotentialRegistry::getInstance().signOff(this);
154}
155
156void QtHomologyList::update(Observable *publisher)
157{
158 dirty = true;
159
160 // force an update from Qt...
161// treewidget->clear();
162 emit changed(); //doesn't work!?!
163}
164
165void QtHomologyList::refill()
166{
167 boost::recursive_mutex::scoped_lock lock(refill_mutex);
168
169 const HomologyContainer &homologies = World::getInstance().getHomologies();
170
171 // clear everything
172 HomologySelection.clear();
173 treewidget->clear();
174#ifdef HAVE_QWT
175 QSeisCurveRegistry::getInstance().resetRegistry();
176#endif
177
178 size_t count = 0;
179 for (HomologyContainer::const_key_iterator homologyiter = homologies.key_begin();
180 homologyiter != homologies.key_end();
181 homologyiter = homologies.getNextKey(homologyiter), ++count) {
182 HomologyContainer::range_t occurences = homologies.getHomologousGraphs(*homologyiter);
183 const HomologyGraph &graph = occurences.first->first;
184 const size_t times = std::distance(occurences.first, occurences.second);
185
186 // create item
187 std::vector<int> numerical_columns;
188 numerical_columns += OCCURRENCE;
189 QTreeWidgetItem *treeItem = new QtNumericalItem(NUMBER, numerical_columns, treewidget);
190 treeItem->setText(NUMBER, QString::number(count));
191 {
192 std::stringstream output;
193 graph.printNodes(output);
194 treeItem->setText(NODES, QString(output.str().c_str()));
195 }
196 {
197 std::stringstream output;
198 graph.printEdges(output);
199 treeItem->setText(EDGES, QString(output.str().c_str()));
200 }
201 if (times > 0) {
202 treeItem->setText(OCCURRENCE, QString::number(times));
203 } else {
204 treeItem->setText(OCCURRENCE, "none");
205 treeItem->setDisabled(true);
206 }
207 HomologySelection.push_back(treeItem->isSelected());
208
209#ifdef HAVE_QWT
210 // create associated curve in plot
211 CompoundPotential *compound = new CompoundPotential(graph);
212 ASSERT( compound != NULL,
213 "QtHomologyList::refill() - compound is NULL.");
214 TrainingData data(compound->getSpecificFilter());
215 data(homologies.getHomologousGraphs(graph));
216 if (!data.getTrainingInputs().empty()) {
217 // generate QSeisData
218 const TrainingData::InputVector_t &inputs = data.getAllArguments();
219 const TrainingData::OutputVector_t &outputs = data.getTrainingOutputs();
220 std::vector<double> xvalues;
221 std::vector<double> yvalues;
222 for (TrainingData::OutputVector_t::const_iterator outputiter = outputs.begin();
223 outputiter != outputs.end(); ++outputiter)
224 yvalues.push_back((*outputiter)[0]);
225
226 // go through each potential
227 for (CompoundPotential::models_t::const_iterator potiter = compound->begin();
228 potiter != compound->end();
229 ++potiter) {
230 const EmpiricalPotential &potential = dynamic_cast<const EmpiricalPotential &>(**potiter);
231 const std::string potentialname = potential.getName();
232 const FunctionModel::filter_t filter = potential.getSpecificFilter();
233 Coordinator::ptr coordinator = potential.getCoordinator();
234 // then we need to sample the potential
235 HomologyGraph dummy;
236 xvalues.clear();
237 for (TrainingData::InputVector_t::const_iterator inputiter = inputs.begin();
238 inputiter != inputs.end(); ++inputiter) {
239 const FunctionModel::list_of_arguments_t specificargs = filter(dummy, *inputiter);
240 double average = 0.;
241 for (FunctionModel::list_of_arguments_t::const_iterator argiter = specificargs.begin();
242 argiter != specificargs.end(); ++argiter) {
243 const FunctionModel::arguments_t args = *argiter;
244 average += (*coordinator)(args);
245 }
246 if (specificargs.size() > 1) {
247 const size_t index = xvalues.size();
248 xvalues.push_back(average/(double)specificargs.size());
249 yvalues[index] *= 1./(double)specificargs.size();
250 }
251 }
252
253 // We need to sort the xvalues (and associated yvalues also)
254 std::vector<double>::const_iterator xiter = xvalues.begin();
255 std::vector<double>::const_iterator yiter = yvalues.begin();
256 std::map<double, std::set<double> > sorted_xy;
257 for (;xiter != xvalues.end(); ++xiter, ++yiter) {
258 std::set<double> yset;
259 yset.insert(*yiter);
260 std::pair<std::map<double, std::set<double> >::iterator, bool> inserter =
261 sorted_xy.insert(std::make_pair(*xiter, yset));
262 if (!inserter.second)
263 inserter.first->second.insert(*yiter);
264 }
265 xvalues.clear();
266 yvalues.clear();
267 for (std::map<double, std::set<double> >::const_iterator iter = sorted_xy.begin();
268 iter != sorted_xy.end(); ++iter) {
269 for (std::set<double>::const_iterator valueiter = iter->second.begin();
270 valueiter != iter->second.end();
271 ++valueiter) {
272 xvalues.push_back(iter->first);
273 yvalues.push_back(*valueiter);
274 }
275 }
276
277 if ((!xvalues.empty()) && (!yvalues.empty())) {
278 QSeisData data(xvalues, yvalues, QString(potentialname.c_str()));
279 // couple to QSeisPlotCurve and register the curve
280 QSeisPlotCurve *curve = new QSeisPlotCurve(QString(potentialname.c_str()), "energy");
281 curve->updateCurve(&data);
282 if (!QSeisCurveRegistry::getInstance().isPresentByName(curve->getName()))
283 QSeisCurveRegistry::getInstance().registerInstance(curve);
284 else
285 delete curve;
286 // couple to QSeisPlotPage
287 widget->addCurve(potentialname);
288 }
289 }
290 }
291#endif
292 }
293 dirty = false;
294}
295
296void QtHomologyList::paintEvent(QPaintEvent * event)
297{
298 boost::recursive_mutex::scoped_lock lock(refill_mutex);
299
300 if (dirty)
301 refill();
302// treewidget->paintEvent(event);
303}
304
305void QtHomologyList::subjectKilled(Observable *publisher)
306{
307 // as a new instance should always already be present ... just sign on
308 if (static_cast<PotentialRegistry *>(publisher) == PotentialRegistry::getPointer()) {
309 potentialregistry_enabled = false;
310 } else if (static_cast<HomologyContainer *>(publisher) == &World::getInstance().getHomologies()) {
311 homologycontainer_enabled = false;
312 }
313}
314
315
316void QtHomologyList::rowSelected()
317{
318 boost::recursive_mutex::scoped_lock lock(refill_mutex);
319
320 //std::cout << "rowSelected\n";
321 for (int i=0;i<treewidget->topLevelItemCount();i++){
322 QTreeWidgetItem *item = treewidget->topLevelItem(i);
323 bool newSelection = item->isSelected();
324 if (newSelection != HomologySelection[i]){
325 // TODO: Add selected curve to QTabWidget
326 }
327 }
328}
329
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