source: src/UIElements/Qt4/QtMainWindow.cpp@ ca1535

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since ca1535 was ca1535, checked in by Frederik Heber <heber@…>, 9 years ago

All QtMoleculeItem now heed QtObservedMolecule and QtMoleculeList takes InstanceBoard.

  • Property mode set to 100644
File size: 7.0 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * QtMainWindow.cpp
26 *
27 * Created on: Jan 14, 2010
28 * Author: crueger
29 */
30
31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
35
36#include "QtMainWindow.hpp"
37
38#include<Qt/qapplication.h>
39#include<Qt/qlabel.h>
40#include<Qt/qstring.h>
41#include<Qt/qmenubar.h>
42#include<Qt/qsplitter.h>
43#include<Qt/qtoolbar.h>
44#include<Qt/qsettings.h>
45#include<Qt/qmessagebox.h>
46#include<Qt/qboxlayout.h>
47#include<Qt/qevent.h>
48
49#include<iostream>
50#include<map>
51
52#include<boost/bind.hpp>
53
54#include "Menu/Qt4/QtMenu.hpp"
55#include "Views/Qt4/MoleculeList/QtMoleculeList.hpp"
56#include "Views/Qt4/MoleculeList/QtMoleculeListView.hpp"
57#include "Views/Qt4/QtElementList.hpp"
58#include "Views/Qt4/QtFragmentList.hpp"
59#include "Views/Qt4/QtHomologyList.hpp"
60#include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
61#include "Views/Qt4/QtLogBox.hpp"
62#include "Views/Qt4/QtShapeController.hpp"
63#include "Views/Qt4/QtInfoBox.hpp"
64#include "Views/Qt4/QtSelectionChangedAgent.hpp"
65#include "Views/Qt4/QtStatusBar.hpp"
66#include "Views/Qt4/QtTimeLine.hpp"
67#include "Views/Qt4/QtToolBar.hpp"
68#include "Views/Qt4/Qt3D/GLWorldView.hpp"
69
70#include "CodePatterns/MemDebug.hpp"
71#include "CodePatterns/Verbose.hpp"
72
73#include "Atom/atom.hpp"
74#include "molecule.hpp"
75#include "Actions/Action.hpp"
76#include "Actions/ActionQueue.hpp"
77#include "Parser/ChangeTracker.hpp"
78#include "Parser/FormatParserStorage.hpp"
79#include "Actions/WorldAction/OutputAction.hpp"
80#include "Actions/WorldAction/OutputAsAction.hpp"
81
82#include "version.h"
83
84using namespace MoleCuilder;
85
86QtMainWindow::QtMainWindow(QApplication *_theApp) :
87 theApp(_theApp)
88{
89 qRegisterMetaType<atomId_t>("atomId_t");
90 qRegisterMetaType<moleculeId_t>("moleculeId_t");
91
92 Q_INIT_RESOURCE(icons);
93 setWindowTitle(MOLECUILDERVERSION);
94 theApp->setWindowIcon(QIcon(QPixmap(":/molecuildergui_logo.png")));
95 QCoreApplication::setOrganizationName("ins");
96 QCoreApplication::setOrganizationDomain("ins.uni-bonn.de");
97 QCoreApplication::setApplicationName("MoleCuilder");
98
99 InstanceBoard = new QtObservedInstanceBoard(this);
100
101 QSplitter *splitter1 = new QSplitter (Qt::Horizontal, this );
102 QSplitter *splitter2 = new QSplitter (Qt::Vertical, splitter1 );
103 QSplitter *splitter3 = new QSplitter (Qt::Vertical, splitter1 );
104 QTabWidget *worldTab = new QTabWidget(splitter2);
105 QWidget *layoutwidget = new QWidget(splitter2);
106 QVBoxLayout *layout = new QVBoxLayout(layoutwidget);
107
108 selectionagent = new QtSelectionChangedAgent(this);
109
110 QtMoleculeListView *moleculeListView = new QtMoleculeListView(worldTab);
111 moleculeList = new QtMoleculeList(InstanceBoard);
112 moleculeListView->setModel(moleculeList);
113 moleculeListView->setSelectionChangedAgent(selectionagent);
114
115 elementList = new QtElementList(worldTab);
116 homologyList = new QtHomologyList(worldTab);
117 fragmentList = new QtFragmentList(worldTab);
118 logBox = new QtLogBox(worldTab);
119 shapeController = new QtShapeController(worldTab);
120
121 timeline = new QtTimeLine(this);
122
123 infoBox = new QtInfoBox();
124 glWorldView = new GLWorldView(InstanceBoard, this);
125 glWorldView->setSizePolicy( QSizePolicy::Expanding,QSizePolicy::Expanding);
126 glWorldView->setMinimumSize( QSize(640,480) );
127// glWorldView->setFocus();
128 glWorldView->camera()->setEye( QVector3D(0,3,10));
129 glWorldView->setSelectionChangedAgent(selectionagent);
130
131 MainMenu = new QtMenu<QMenuBar>(menuBar(), "");
132 MainMenu->init();
133
134 toolbar = new QtToolBar(this);
135 glWorldView->addToolBarActions(toolbar);
136 toolbar->addFavoriteActionItems(20);
137 addToolBar(toolbar);
138
139 setCentralWidget(splitter1);
140 splitter1->addWidget(splitter2);
141 splitter1->addWidget(splitter3);
142 splitter1->setStretchFactor(0, 10);
143 splitter3->addWidget(infoBox);
144 splitter3->addWidget(shapeController);
145 splitter2->addWidget(glWorldView);
146 layout->addWidget(timeline);
147 layout->addWidget(worldTab);
148 splitter2->addWidget(layoutwidget);
149 worldTab->addTab(moleculeListView, "Molecules");
150 worldTab->addTab(elementList, "All Elements");
151 worldTab->addTab(fragmentList, "All Fragments");
152 worldTab->addTab(homologyList, "All Homologies");
153 worldTab->addTab(logBox, "Log");
154
155 statusBar = new QtStatusBar(this);
156 setStatusBar(statusBar);
157
158 QSettings settings;
159 settings.beginGroup("MainWindow");
160 resize(settings.value("size", QSize(400, 400)).toSize());
161 move(settings.value("position", QPoint(200, 200)).toPoint());
162 if (settings.value("maximized", false).toBool())
163 showMaximized();
164 settings.endGroup();
165
166 connect(glWorldView,SIGNAL(hoverChanged(const atomId_t)), infoBox,SLOT(atomHover(const atomId_t)));
167 connect(glWorldView,SIGNAL(hoverChanged(const moleculeId_t, int)), infoBox,SLOT(moleculeHover(const moleculeId_t)));
168 connect(moleculeList,SIGNAL(moleculesVisibilityChanged(const moleculeId_t,bool)), glWorldView, SIGNAL(moleculesVisibilityChanged(const moleculeId_t,bool)));
169
170 glWorldView->fitCameraToDomain();
171}
172
173QtMainWindow::~QtMainWindow()
174{
175 QSettings settings;
176 settings.beginGroup("MainWindow");
177 settings.setValue("size", size());
178 settings.setValue("position", pos());
179 settings.setValue("maximized", isMaximized());
180 settings.endGroup();
181
182 menuBar()->clear();
183 delete MainMenu;
184}
185
186void QtMainWindow::display() {
187 this->show();
188 this->update();
189 theApp->exec();
190}
191
192void QtMainWindow::closeEvent(QCloseEvent *event)
193{
194 if (ChangeTracker::getInstance().hasChanged()){
195 int ret = QMessageBox::question(this, tr("MoleCuilder"),
196 tr("The world has been modified.\n"
197 "Do you want to save your changes?"),
198 QMessageBox::Save | QMessageBox::Discard | QMessageBox::Cancel,
199 QMessageBox::Save);
200 switch(ret){
201 case QMessageBox::Cancel:
202 event->ignore();
203 return;
204 case QMessageBox::Save:
205 if (FormatParserStorage::getInstance().isAbleToSave())
206 MoleCuilder::WorldOutput();
207 else{
208 try{
209 ActionQueue::getInstance().queueAction("output-as");
210 }catch(...){
211 ELOG(1, "Action failed or cancelled");
212 }
213 }
214 break;
215 }
216 }
217 QMainWindow::closeEvent(event);
218}
219
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