Differential D16146 Diff 43434 src/tools/moleculeview.cpp

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src/tools/moleculeview.cpp

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24#include <QFileInfo> 24​#include <QFileInfo>
25#include <QGLFormat> 25​#include <QGLFormat>
26#include <QDebug> 26​#include <QDebug>
27#include <KFileDialog> 27​#include <KFileDialog>
28#include <KJob> 28​#include <KJob>
29#include <KMessageBox> 29​#include <KMessageBox>
30#include <KLocalizedString> 30​#include <KLocalizedString>
31#include <QUrl> 31​#include <QUrl>
32#include <knewstuff3/downloaddialog.h> ​
33#include <kio/job.h> 32​#include <kio/job.h>
34 33​
35#include "iowrapper.h" 34​#include "iowrapper.h"
36 35​
37#include <openbabel/mol.h> 36​#include <openbabel/mol.h>
38#include <openbabel/obiter.h> 37​#include <openbabel/obiter.h>
39// This is needed to ensure that the forcefields are set up right with GCC vis 38​// This is needed to ensure that the forcefields are set up right with GCC vis
40#ifdef __KDE_HAVE_GCC_VISIBILITY 39​#ifdef __KDE_HAVE_GCC_VISIBILITY
Show All 11 Lines48MoleculeDialog::MoleculeDialog(QWidget * parent)
52 , m_periodicTable(nullptr) 51​ , m_periodicTable(nullptr)
53{ 52​{
54 // use multi-sample (anti-aliased) OpenGL if available 53​ // use multi-sample (anti-aliased) OpenGL if available
55 QGLFormat defFormat = QGLFormat::defaultFormat(); 54​ QGLFormat defFormat = QGLFormat::defaultFormat();
56 defFormat.setSampleBuffers(true); 55​ defFormat.setSampleBuffers(true);
57 QGLFormat::setDefaultFormat(defFormat); 56​ QGLFormat::setDefaultFormat(defFormat);
58 57​
59 setCaption(i18n("Molecular Editor")); 58​ setCaption(i18n("Molecular Editor"));
60 setButtons(User3 | User2 | User1 | Close); 59​ setButtons(User3 | /*User2 | */User1 | Close);
61 60​
62 setDefaultButton(User1); 61​ setDefaultButton(User1);
63 62​
64 setButtonGuiItem(User1, KGuiItem(i18n("Load Molecule"), "document-open", i18n("Loading a molecule"))); 63​ setButtonGuiItem(User1, KGuiItem(i18n("Load Molecule"), "document-open", i18n("Loading a molecule")));
65 64​
66 setButtonGuiItem(User2, KGuiItem(i18n("Download New Molecules"), "get-hot-new-stuff", i18n("Download new molecule files"))); 65​// setButtonGuiItem(User2, KGuiItem(i18n("Download New Molecules"), "get-hot-new-stuff", i18n("Download new molecule files")));
67 66​
68 setButtonGuiItem(User3, KGuiItem(i18n("Save Molecule"), "document-save", i18n("Saving a molecule"))); 67​ setButtonGuiItem(User3, KGuiItem(i18n("Save Molecule"), "document-save", i18n("Saving a molecule")));
69 68​
70 ui.setupUi(mainWidget()); 69​ ui.setupUi(mainWidget());
71 70​
72 // Attempt to set up the UFF forcefield 71​ // Attempt to set up the UFF forcefield
73// m_forceField = OBForceField::FindForceField("UFF"); 72​// m_forceField = OBForceField::FindForceField("UFF");
74// if (!m_forceField) { 73​// if (!m_forceField) {
Show All 15 Lines88// this, &MoleculeDialog::slotGeometryOptimize);
90 connect(ui.clearDrawingButton, &QPushButton::clicked, 89​ connect(ui.clearDrawingButton, &QPushButton::clicked,
91 this, &MoleculeDialog::clearAllElementsInEditor); 90​ this, &MoleculeDialog::clearAllElementsInEditor);
92 91​
93 connect(ui.glWidget->molecule(), &Avogadro::QtGui::Molecule::changed, 92​ connect(ui.glWidget->molecule(), &Avogadro::QtGui::Molecule::changed,
94 this, &MoleculeDialog::slotUpdateStatistics); 93​ this, &MoleculeDialog::slotUpdateStatistics);
95 94​
96 connect(this, &KDialog::user1Clicked, 95​ connect(this, &KDialog::user1Clicked,
97 this, &MoleculeDialog::slotLoadMolecule); 96​ this, &MoleculeDialog::slotLoadMolecule);
98 connect(this, &KDialog::user2Clicked, 97​// connect(this, &KDialog::user2Clicked,
99 this, &MoleculeDialog::slotDownloadNewStuff); 98​// this, &MoleculeDialog::slotDownloadNewStuff);
100 connect(this, &KDialog::user3Clicked, 99​ connect(this, &KDialog::user3Clicked,
101 this, &MoleculeDialog::slotSaveMolecule); 100​ this, &MoleculeDialog::slotSaveMolecule);
102 101​
103 // Check that we have managed to load up some tools and engines 102​ // Check that we have managed to load up some tools and engines
104 int nTools = ui.glWidget->tools().size(); 103​ int nTools = ui.glWidget->tools().size();
105 if (!nTools) { 104​ if (!nTools) {
106 QString error = i18n("No tools loaded - it is likely that the Avogadro plugins could not be located."); 105​ QString error = i18n("No tools loaded - it is likely that the Avogadro plugins could not be located.");
107 KMessageBox::error(this, error, i18n("Kalzium")); 106​ KMessageBox::error(this, error, i18n("Kalzium"));
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