source: src/UIElements/Qt4/QtMainWindow.cpp@ 7fc447

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 7fc447 was d20ded, checked in by Frederik Heber <heber@…>, 11 years ago

FragmentResultContainer is Observable and displayed by QtFragmentList.

  • FIX: loop never entered in QtFragmentList::rowSelected().
  • Property mode set to 100644
File size: 5.8 KB
RevLine 
[bcf653]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[5aaa43]5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
[94d5ac6]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/>.
[bcf653]22 */
23
[3027f8]24/*
[4cf323d]25 * QtMainWindow.cpp
[3027f8]26 *
27 * Created on: Jan 14, 2010
28 * Author: crueger
29 */
30
[bf3817]31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
[bbbad5]35
[4cf323d]36#include "QtMainWindow.hpp"
[3027f8]37
[8f67e2]38#include<Qt/qapplication.h>
[fa27ed]39#include<Qt/qlabel.h>
40#include<Qt/qstring.h>
41#include<Qt/qmenubar.h>
[cef1d7]42#include<Qt/qsplitter.h>
[7641d4]43#include<Qt/qtoolbar.h>
[b82101]44#include<Qt/qsettings.h>
[22d01e]45#include<Qt/qmessagebox.h>
[76e224]46#include<Qt/qboxlayout.h>
[22d01e]47#include<Qt/qevent.h>
[8f67e2]48
[3027f8]49#include<iostream>
[b2531f]50#include<map>
51
[fa27ed]52#include<boost/bind.hpp>
53
[a08d3c0]54#include "Menu/Qt4/QtMenu.hpp"
[0eb7bf3]55#include "Views/Qt4/QtMoleculeList.hpp"
[0e6156]56#include "Views/Qt4/QtElementList.hpp"
[d20ded]57#include "Views/Qt4/QtFragmentList.hpp"
[1e1098]58#include "Views/Qt4/QtHomologyList.hpp"
[301bc2]59#include "Views/Qt4/QtShapeController.hpp"
[3c53fa]60#include "Views/Qt4/QtInfoBox.hpp"
[a08d3c0]61#include "Views/Qt4/QtStatusBar.hpp"
[d7e931]62#include "Views/Qt4/QtTimeLine.hpp"
[7641d4]63#include "Views/Qt4/QtToolBar.hpp"
[04f017]64#include "Views/Qt4/Qt3D/GLWorldView.hpp"
[a08d3c0]65
[ad011c]66#include "CodePatterns/MemDebug.hpp"
[bbbad5]67
[6f0841]68#include "Atom/atom.hpp"
[fa27ed]69#include "molecule.hpp"
[ad011c]70#include "CodePatterns/Verbose.hpp"
[b2531f]71#include "Actions/Action.hpp"
[628577]72#include "Actions/ActionQueue.hpp"
[22d01e]73#include "Parser/ChangeTracker.hpp"
74#include "Parser/FormatParserStorage.hpp"
75#include "Actions/WorldAction/OutputAction.hpp"
76#include "Actions/WorldAction/OutputAsAction.hpp"
77
[5b991a]78
[22d01e]79using namespace MoleCuilder;
[3027f8]80
[4cf323d]81QtMainWindow::QtMainWindow(QApplication *_theApp) :
[8f67e2]82 theApp(_theApp)
[fa27ed]83{
[d5307b]84 Q_INIT_RESOURCE(icons);
[c792e0]85 theApp->setWindowIcon(QIcon(QPixmap(":/molecuildergui_logo.png")));
[b82101]86 QCoreApplication::setOrganizationName("ins");
87 QCoreApplication::setOrganizationDomain("ins.uni-bonn.de");
88 QCoreApplication::setApplicationName("MoleCuilder");
[cef1d7]89 QSplitter *splitter1 = new QSplitter (Qt::Horizontal, this );
90 QSplitter *splitter2 = new QSplitter (Qt::Vertical, splitter1 );
[4458b0]91 QSplitter *splitter3 = new QSplitter (Qt::Vertical, splitter1 );
[244f81]92 QTabWidget *worldTab = new QTabWidget(splitter2);
[76e224]93 QWidget *layoutwidget = new QWidget(splitter2);
94 QVBoxLayout *layout = new QVBoxLayout(layoutwidget);
[cef1d7]95
[0eb7bf3]96 moleculeList = new QtMoleculeList(worldTab);
[0e6156]97 elementList = new QtElementList(worldTab);
[1e1098]98 homologyList = new QtHomologyList(worldTab);
[d20ded]99 fragmentList = new QtFragmentList(worldTab);
[301bc2]100 shapeController = new QtShapeController(worldTab);
[cef1d7]101
[d7e931]102 timeline = new QtTimeLine(this);
103
[3c53fa]104 infoBox = new QtInfoBox();
[0eb7bf3]105 glWorldView = new GLWorldView(this);
[76e224]106 glWorldView->setSizePolicy( QSizePolicy::Expanding,QSizePolicy::Expanding);
[0eb7bf3]107 glWorldView->setMinimumSize( QSize(640,480) );
108// glWorldView->setFocus();
109 glWorldView->camera()->setEye( QVector3D(0,3,10));
[cef1d7]110
[b59da6]111 MainMenu = new QtMenu<QMenuBar>(menuBar(), "");
112 MainMenu->init();
[b80021]113
[7641d4]114 toolbar = new QtToolBar(this);
[0eb7bf3]115 glWorldView->addToolBarActions(toolbar);
[7641d4]116 addToolBar(toolbar);
117
[cef1d7]118 setCentralWidget(splitter1);
119 splitter1->addWidget(splitter2);
[4458b0]120 splitter1->addWidget(splitter3);
121 splitter1->setStretchFactor(0, 10);
122 splitter3->addWidget(infoBox);
[301bc2]123 splitter3->addWidget(shapeController);
[0eb7bf3]124 splitter2->addWidget(glWorldView);
[76e224]125 layout->addWidget(timeline);
126 layout->addWidget(worldTab);
127 splitter2->addWidget(layoutwidget);
[0eb7bf3]128 worldTab->addTab(moleculeList, "Molecules");
[0e6156]129 worldTab->addTab(elementList, "All Elements");
[d20ded]130 worldTab->addTab(fragmentList, "All Fragments");
[1e1098]131 worldTab->addTab(homologyList, "All Homologies");
[cef1d7]132
[4cf323d]133 statusBar = new QtStatusBar(this);
[326a43b]134 setStatusBar(statusBar);
[fa27ed]135
[b82101]136 QSettings settings;
137 settings.beginGroup("MainWindow");
138 resize(settings.value("size", QSize(400, 400)).toSize());
139 move(settings.value("position", QPoint(200, 200)).toPoint());
140 if (settings.value("maximized", false).toBool())
141 showMaximized();
142 settings.endGroup();
143
[3c53fa]144 connect(glWorldView,SIGNAL(hoverChanged(const atom*)), infoBox,SLOT(atomHover(const atom*)));
[fa27ed]145}
[3027f8]146
[4cf323d]147QtMainWindow::~QtMainWindow()
[992fd7]148{
[b82101]149 QSettings settings;
150 settings.beginGroup("MainWindow");
151 settings.setValue("size", size());
152 settings.setValue("position", pos());
153 settings.setValue("maximized", isMaximized());
154 settings.endGroup();
155
[992fd7]156 menuBar()->clear();
[da8f97]157 delete MainMenu;
[992fd7]158}
[3027f8]159
[4cf323d]160void QtMainWindow::display() {
[8f67e2]161 this->show();
[c8bbf2]162 this->update();
[8f67e2]163 theApp->exec();
[3027f8]164}
[b2531f]165
[5125f6]166void QtMainWindow::closeEvent(QCloseEvent *event)
167{
[22d01e]168 if (ChangeTracker::getInstance().hasChanged()){
169 int ret = QMessageBox::question(this, tr("MoleCuilder"),
170 tr("The world has been modified.\n"
171 "Do you want to save your changes?"),
172 QMessageBox::Save | QMessageBox::Discard | QMessageBox::Cancel,
173 QMessageBox::Save);
174 switch(ret){
175 case QMessageBox::Cancel:
176 event->ignore();
177 return;
178 case QMessageBox::Save:
179 if (FormatParserStorage::getInstance().isAbleToSave())
180 MoleCuilder::WorldOutput();
181 else{
182 try{
[05c989]183 ActionQueue::getInstance().queueAction("output-as");
[22d01e]184 }catch(...){
185 ELOG(1, "Action failed or cancelled");
186 }
187 }
188 break;
189 }
190 }
[5125f6]191 QMainWindow::closeEvent(event);
192}
193
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