add code paths for all 8 tutorial wizards. only descriptive text is missing.
This commit is contained in:
Axel Kohlmeyer
@ -217,6 +217,12 @@ LammpsGui::LammpsGui(QWidget *parent, const QString &filename) :
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connect(ui->actionLAMMPS_Tutorial, &QAction::triggered, this, &LammpsGui::tutorial_web);
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connect(ui->actionTutorial1, &QAction::triggered, this, &LammpsGui::start_tutorial1);
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connect(ui->actionTutorial2, &QAction::triggered, this, &LammpsGui::start_tutorial2);
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connect(ui->actionTutorial3, &QAction::triggered, this, &LammpsGui::start_tutorial3);
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connect(ui->actionTutorial4, &QAction::triggered, this, &LammpsGui::start_tutorial4);
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connect(ui->actionTutorial5, &QAction::triggered, this, &LammpsGui::start_tutorial5);
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connect(ui->actionTutorial6, &QAction::triggered, this, &LammpsGui::start_tutorial6);
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connect(ui->actionTutorial7, &QAction::triggered, this, &LammpsGui::start_tutorial7);
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connect(ui->actionTutorial8, &QAction::triggered, this, &LammpsGui::start_tutorial8);
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connect(ui->actionAbout_LAMMPS_GUI, &QAction::triggered, this, &LammpsGui::about);
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connect(ui->action_Help, &QAction::triggered, this, &LammpsGui::help);
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connect(ui->actionLAMMPS_GUI_Howto, &QAction::triggered, this, &LammpsGui::howto);
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@ -438,9 +444,7 @@ void LammpsGui::open_recent()
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void LammpsGui::get_directory()
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{
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if (wizard) {
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// figure out which wizard we are following
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auto *line = wizard->findChild<QLineEdit *>("t1_directory");
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if (!line) line = wizard->findChild<QLineEdit *>("t2_directory");
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auto *line = wizard->findChild<QLineEdit *>("t_directory");
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if (line) {
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auto curdir = line->text();
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QFileDialog dialog(this, "Choose Directory for Tutorial Files", curdir);
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@ -1560,287 +1564,313 @@ void LammpsGui::tutorial_web()
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QDesktopServices::openUrl(QUrl("https://lammpstutorials.github.io/"));
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}
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QWizardPage *LammpsGui::tutorial_intro(const int ntutorial)
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{
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auto *page = new QWizardPage;
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page->setTitle(QString("Getting Started With Tutorial %1").arg(ntutorial));
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page->setPixmap(QWizard::WatermarkPixmap,
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QPixmap(QString(":/icons/tutorial%1-logo.png").arg(ntutorial)));
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// XXX TODO: update URL to published tutorial DOI
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auto *label = new QLabel(
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QString("<p>This wizard will help you to select and populate a folder with materials "
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"required to work through tutorial %1 from the LAMMPS tutorials article by "
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"Simon Gravelle, Jake Gissinger, and Axel Kohlmeyer.</p>\nThe materials for this "
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"tutorial are downloaded from:<br><b><a "
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"href=\"https://github.com/lammpstutorials/lammpstutorials-article\">github.com/"
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"lammpstutorials/lammpstutorials-article</a></b></p><br>\n<hr width=\"33%\"\\>\n<p "
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"align=\"center\">Click on the \"Next\" button to begin.</p>")
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.arg(ntutorial));
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label->setWordWrap(true);
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auto *layout = new QVBoxLayout;
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layout->addWidget(label);
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page->setLayout(layout);
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return page;
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}
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QWizardPage *LammpsGui::tutorial_info(const int ntutorial, const QString &infotext)
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{
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auto *page = new QWizardPage;
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page->setTitle(QString("Contents of Tutorial %1").arg(ntutorial));
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page->setPixmap(QWizard::WatermarkPixmap,
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QPixmap(QString(":/icons/tutorial%1-logo.png").arg(ntutorial)));
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auto *label = new QLabel(infotext);
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label->setWordWrap(true);
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auto *layout = new QVBoxLayout;
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layout->addWidget(label);
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page->setLayout(layout);
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return page;
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}
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QWizardPage *LammpsGui::tutorial_directory(const int ntutorial)
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{
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auto *page = new QWizardPage;
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page->setTitle(QString("Select Directory for Tutorial %1").arg(ntutorial));
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page->setPixmap(QWizard::WatermarkPixmap,
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QPixmap(QString(":/icons/tutorial%1-logo.png").arg(ntutorial)));
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auto *frame = new QFrame;
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auto *label = new QLabel(
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QString("<p>Select a directory to store the files for tutorial %1. The directory will be "
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"created if necessary and LAMMPS-GUI will download the files required for the "
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"tutorial.</p>\n<p>If selected, an existing directory may be "
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"cleared.</p>\n<p>Also, available files of the tutorial solution may be downloaded "
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"to a folder \"solution\", if requested.</p>\n<hr width=\"33%\">\n")
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.arg(ntutorial));
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label->setWordWrap(true);
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auto *dirlayout = new QHBoxLayout;
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auto *directory = new QLineEdit;
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// if we are already in a tutorial folder, stay there or pick folder in same parent dir
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bool haveDir = false;
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for (int i = 1; i < 99; ++i) {
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if (current_dir.endsWith(QString("tutorial%1").arg(i))) {
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if (i > 9) { // We assume there are no more than 99 tutorials
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current_dir.chop(2);
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} else {
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current_dir.chop(1);
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}
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current_dir.append(QString::number(ntutorial));
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haveDir = true;
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}
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}
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// if current dir is home, or application folder, switch to desktop path
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if ((current_dir == QDir::homePath()) || current_dir.contains("AppData") ||
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current_dir.contains("Program Files")) {
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current_dir = QStandardPaths::writableLocation(QStandardPaths::DesktopLocation);
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}
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if (!haveDir) current_dir.append(QString("/tutorial%1").arg(ntutorial));
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directory->setText(current_dir);
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auto *dirbutton = new QPushButton("&Choose");
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dirlayout->addWidget(directory);
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dirlayout->addWidget(dirbutton);
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directory->setObjectName("t_directory");
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connect(dirbutton, &QPushButton::released, this, &LammpsGui::get_directory);
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auto *grid = new QGridLayout;
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auto *purgeval = new QCheckBox;
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auto *solval = new QCheckBox;
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auto *purgelabel = new QLabel("Remove existing files from directory");
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auto *sollabel = new QLabel("Download solutions");
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purgeval->setCheckState(Qt::Unchecked);
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purgeval->setObjectName("t_dirpurge");
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solval->setCheckState(Qt::Unchecked);
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solval->setObjectName("t_getsolution");
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grid->addWidget(purgeval, 0, 0, Qt::AlignVCenter);
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grid->addWidget(purgelabel, 0, 1, Qt::AlignVCenter);
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grid->addWidget(solval, 1, 0, Qt::AlignVCenter);
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grid->addWidget(sollabel, 1, 1, Qt::AlignVCenter);
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grid->setColumnStretch(0, 0);
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grid->setColumnStretch(1, 100);
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auto *layout = new QVBoxLayout(frame);
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layout->addWidget(label);
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layout->addLayout(dirlayout);
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layout->addLayout(grid);
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page->setLayout(layout);
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return page;
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}
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QWizardPage *LammpsGui::tutorial_finish(const int ntutorial)
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{
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auto *page = new QWizardPage;
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page->setTitle(QString("Start Tutorial %1").arg(ntutorial));
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page->setPixmap(QWizard::WatermarkPixmap,
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QPixmap(QString(":/icons/tutorial%1-logo.png").arg(ntutorial)));
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auto *label = new QLabel(QString("<p align=\"center\">You are now ready to start tutorial "
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"%1.</p>\n<hr width=\"33%\"\\>\n<p align=\"center\">Click on "
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"the \"Finish\" button to complete the setup.</p>")
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.arg(ntutorial));
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label->setWordWrap(true);
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auto *layout = new QVBoxLayout;
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layout->addWidget(label);
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layout->setStretch(0, 100);
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page->setLayout(layout);
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return page;
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}
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void LammpsGui::start_tutorial1()
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{
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if (wizard) delete wizard;
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wizard = new Tutorial1Wizard;
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wizard = new TutorialWizard(1);
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const auto infotext =
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QString("<p>In tutorial 1 you will learn about LAMMPS input files, their syntax and "
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"structure, how to create and set up models and their interactions, how to run a "
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"minimization and a molecular dynamics trajectory, how to plot thermodynamic data "
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"and how to create visualizations of your system</p><hr width=\"33%\"\\>\n<p "
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"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
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wizard->setFont(font());
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wizard->addPage(tutorial1_intro());
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wizard->addPage(tutorial1_info());
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wizard->addPage(tutorial1_directory());
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wizard->addPage(tutorial1_finish());
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wizard->addPage(tutorial_intro(1));
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wizard->addPage(tutorial_info(1, infotext));
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wizard->addPage(tutorial_directory(1));
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wizard->addPage(tutorial_finish(1));
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wizard->setWindowTitle("Tutorial 1 Setup Wizard");
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wizard->setWizardStyle(QWizard::ModernStyle);
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wizard->show();
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}
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QWizardPage *LammpsGui::tutorial1_intro()
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{
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auto *page = new QWizardPage;
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page->setTitle("Getting Started With Tutorial 1");
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page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial1-logo.png"));
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// XXX TODO: update URL to published tutorial DOI
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auto *label =
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new QLabel("<p>This wizard will help you to select and populate a folder with "
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"materials required to work through tutorial 1 from a fourthcoming "
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"LAMMPS tutorial using LAMMPS-GUI by Simon Gravelle, Jake Gissinger, "
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"and Axel Kohlmeyer.</p>\n"
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"The work-in-progress materials for this tutorial are available at: <a"
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"<b><a href=\"https://github.com/lammpstutorials/lammpstutorials-article\">"
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"github.com/lammpstutorials/lammpstutorials-article</a></b></p><br>\n"
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"<hr width=\"33%\"\\>\n"
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"<p align=\"center\">Click on the \"Next\" button to begin.</p>");
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label->setWordWrap(true);
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auto *layout = new QVBoxLayout;
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layout->addWidget(label);
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page->setLayout(layout);
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return page;
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}
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QWizardPage *LammpsGui::tutorial1_info()
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{
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auto *page = new QWizardPage;
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page->setTitle("Contents of Tutorial 1");
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page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial1-logo.png"));
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auto *label =
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new QLabel("<p>In tutorial 1 you will learn about LAMMPS input files, their syntax and "
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" structure, how to create and set up models and their interactions, how to "
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"run a minimization and a molecular dynamics trajectory, how to plot "
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"thermodynamic data and how to create visualizations of your system</p>"
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"<hr width=\"33%\"\\>\n"
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"<p align=\"center\">Click on the \"Next\" button to select a folder.</p>");
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label->setWordWrap(true);
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auto *layout = new QVBoxLayout;
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layout->addWidget(label);
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page->setLayout(layout);
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return page;
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}
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QWizardPage *LammpsGui::tutorial1_directory()
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{
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auto *page = new QWizardPage;
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page->setTitle("Select Directory for Tutorial 1");
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page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial1-logo.png"));
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auto *frame = new QFrame;
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auto *label = new QLabel(
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"<p>Select a directory to store the files for tutorial 1. The directory will be "
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"created if necessary and LAMMPS-GUI will download the files required for the "
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"tutorial.</p>\n"
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"<p>If selected, an existing directory may be cleared.</p>\n"
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"<p>Also, available files of the tutorial solution may be downloaded to a "
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"folder \"solution\", if requested.</p>\n"
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"<hr width=\"33%\">\n");
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label->setWordWrap(true);
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auto *dirlayout = new QHBoxLayout;
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auto *directory = new QLineEdit;
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// if we are already in the tutorial folder, stay there
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if (!current_dir.endsWith("tutorial1")) {
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// if current dir is home, or application folder, switch to desktop path
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if ((current_dir == QDir::homePath()) || current_dir.contains("AppData") ||
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current_dir.contains("Program Files")) {
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current_dir = QStandardPaths::writableLocation(QStandardPaths::DesktopLocation);
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}
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current_dir += "/tutorial1";
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}
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directory->setText(current_dir);
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auto *dirbutton = new QPushButton("&Choose");
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dirlayout->addWidget(directory);
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dirlayout->addWidget(dirbutton);
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directory->setObjectName("t1_directory");
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connect(dirbutton, &QPushButton::released, this, &LammpsGui::get_directory);
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auto *grid = new QGridLayout;
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auto *purgeval = new QCheckBox;
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auto *solval = new QCheckBox;
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auto *purgelabel = new QLabel("Remove existing files from directory");
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auto *sollabel = new QLabel("Download solutions");
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purgeval->setCheckState(Qt::Unchecked);
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purgeval->setObjectName("t1_dirpurge");
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solval->setCheckState(Qt::Unchecked);
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solval->setObjectName("t1_getsolution");
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grid->addWidget(purgeval, 0, 0, Qt::AlignVCenter);
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grid->addWidget(purgelabel, 0, 1, Qt::AlignVCenter);
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grid->addWidget(solval, 1, 0, Qt::AlignVCenter);
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grid->addWidget(sollabel, 1, 1, Qt::AlignVCenter);
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grid->setColumnStretch(0, 0);
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grid->setColumnStretch(1, 100);
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auto *layout = new QVBoxLayout(frame);
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layout->addWidget(label);
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layout->addLayout(dirlayout);
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layout->addLayout(grid);
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page->setLayout(layout);
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return page;
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}
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QWizardPage *LammpsGui::tutorial1_finish()
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{
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auto *page = new QWizardPage;
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page->setTitle("Start Tutorial 1");
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page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial1-logo.png"));
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auto *label = new QLabel("<p align=\"center\">You are now ready to start tutorial 1.</p>\n"
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"<hr width=\"33%\"\\>\n"
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"<p align=\"center\">Click on the \"Finish\" button to "
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"complete the setup.</p>");
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label->setWordWrap(true);
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auto *layout = new QVBoxLayout;
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layout->addWidget(label);
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layout->setStretch(0, 100);
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page->setLayout(layout);
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return page;
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}
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void LammpsGui::start_tutorial2()
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{
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if (wizard) delete wizard;
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wizard = new Tutorial2Wizard;
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wizard->addPage(tutorial2_intro());
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wizard->addPage(tutorial2_info());
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wizard->addPage(tutorial2_directory());
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wizard->addPage(tutorial2_finish());
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wizard = new TutorialWizard(2);
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const auto infotext =
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QString("<p>In tutorial 2 you will learn about setting up a simulation for a molecular "
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"system with bonds. The target is to simulate a carbon nanotube with a "
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"conventional molecular force field under growing strain and observe the response "
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"to it. Since bonds are represented by a harmonic potential, they cannot break. "
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"This is then compared to simulating the same system with a reactive force field "
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"(AIREBO) where bonds may be broken and formed.</p><hr width=\"33%\"\\>\n<p "
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"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
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wizard->setFont(font());
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wizard->addPage(tutorial_intro(2));
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wizard->addPage(tutorial_info(2, infotext));
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wizard->addPage(tutorial_directory(2));
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wizard->addPage(tutorial_finish(2));
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wizard->setWindowTitle("Tutorial 2 Setup Wizard");
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wizard->setWizardStyle(QWizard::ModernStyle);
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wizard->show();
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}
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QWizardPage *LammpsGui::tutorial2_intro()
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void LammpsGui::start_tutorial3()
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{
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auto *page = new QWizardPage;
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page->setTitle("Getting Started With Tutorial 2");
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page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial2-logo.png"));
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if (wizard) delete wizard;
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wizard = new TutorialWizard(3);
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const auto infotext =
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QString("<p>In tutorial 3 you will learn about setting up a simulation for a molecular "
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"system with bonds. The target is to simulate a carbon nanotube with a "
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"conventional molecular force field under growing strain and observe the response "
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"to it. Since bonds are represented by a harmonic potential, they cannot break. "
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"This is then compared to simulating the same system with a reactive force field "
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"(AIREBO) where bonds may be broken and formed.</p><hr width=\"33%\"\\>\n<p "
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"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
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// XXX TODO: update URL to published tutorial DOI
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auto *label =
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new QLabel("<p>This wizard will help you to select and populate a folder with "
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"materials required to work through tutorial 2 from a fourthcoming "
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"LAMMPS tutorial using LAMMPS-GUI by Simon Gravelle, Jake Gissinger, "
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"and Axel Kohlmeyer.</p>\n"
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"The work-in-progress materials for this tutorial are available at: <a"
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"<b><a href=\"https://github.com/lammpstutorials/lammpstutorials-article\">"
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"github.com/lammpstutorials/lammpstutorials-article</a></b></p><br>\n"
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"<hr width=\"33%\"\\>\n"
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"<p align=\"center\">Click on the \"Next\" button to begin.</p>");
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label->setWordWrap(true);
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auto *layout = new QVBoxLayout;
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layout->addWidget(label);
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page->setLayout(layout);
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return page;
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wizard->setFont(font());
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wizard->addPage(tutorial_intro(3));
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wizard->addPage(tutorial_info(3, infotext));
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wizard->addPage(tutorial_directory(3));
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wizard->addPage(tutorial_finish(3));
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wizard->setWindowTitle("Tutorial 3 Setup Wizard");
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wizard->setWizardStyle(QWizard::ModernStyle);
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wizard->show();
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}
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QWizardPage *LammpsGui::tutorial2_info()
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void LammpsGui::start_tutorial4()
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{
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auto *page = new QWizardPage;
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page->setTitle("Contents of Tutorial 2");
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page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial2-logo.png"));
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auto *label =
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new QLabel("<p>In tutorial 2 you will learn about setting up a simulation for a molecular "
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"system with bonds. The target is to simulate a carbon nanotube with a "
|
||||
"conventional molecular force field under growing strain and observe the "
|
||||
"response to it. Since bonds are represented by a harmonic potential, they "
|
||||
"cannot break. This is then compared to simulating the same system with a "
|
||||
"reactive force field (AIREBO) where bonds may be broken and formed.</p>"
|
||||
"<hr width=\"33%\"\\>\n"
|
||||
"<p align=\"center\">Click on the \"Next\" button to select a folder.</p>");
|
||||
label->setWordWrap(true);
|
||||
|
||||
auto *layout = new QVBoxLayout;
|
||||
layout->addWidget(label);
|
||||
page->setLayout(layout);
|
||||
return page;
|
||||
if (wizard) delete wizard;
|
||||
wizard = new TutorialWizard(4);
|
||||
const auto infotext =
|
||||
QString("<p>In tutorial 4 you will learn about setting up a simulation for a molecular "
|
||||
"system with bonds. The target is to simulate a carbon nanotube with a "
|
||||
"conventional molecular force field under growing strain and observe the response "
|
||||
"to it. Since bonds are represented by a harmonic potential, they cannot break. "
|
||||
"This is then compared to simulating the same system with a reactive force field "
|
||||
"(AIREBO) where bonds may be broken and formed.</p><hr width=\"33%\"\\>\n<p "
|
||||
"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
|
||||
wizard->setFont(font());
|
||||
wizard->addPage(tutorial_intro(4));
|
||||
wizard->addPage(tutorial_info(4, infotext));
|
||||
wizard->addPage(tutorial_directory(4));
|
||||
wizard->addPage(tutorial_finish(4));
|
||||
wizard->setWindowTitle("Tutorial 4 Setup Wizard");
|
||||
wizard->setWizardStyle(QWizard::ModernStyle);
|
||||
wizard->show();
|
||||
}
|
||||
|
||||
QWizardPage *LammpsGui::tutorial2_directory()
|
||||
void LammpsGui::start_tutorial5()
|
||||
{
|
||||
auto *page = new QWizardPage;
|
||||
page->setTitle("Select Directory for Tutorial 2");
|
||||
page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial2-logo.png"));
|
||||
|
||||
auto *frame = new QFrame;
|
||||
auto *label = new QLabel(
|
||||
"<p>Select a directory to store the files for tutorial 2. The directory will be "
|
||||
"created if necessary and LAMMPS-GUI will download the files required for the "
|
||||
"tutorial.</p>\n"
|
||||
"<p>If selected, an existing directory may be cleared.</p>\n"
|
||||
"<p>Also, available files of the tutorial solution may be downloaded to a "
|
||||
"folder \"solution\", if requested.</p>\n"
|
||||
"<hr width=\"33%\">\n");
|
||||
label->setWordWrap(true);
|
||||
|
||||
auto *dirlayout = new QHBoxLayout;
|
||||
auto *directory = new QLineEdit;
|
||||
// if we are already in the tutorial folder, stay there
|
||||
if (!current_dir.endsWith("tutorial2")) {
|
||||
// if current dir is home, or application folder, switch to desktop path
|
||||
if ((current_dir == QDir::homePath()) || current_dir.contains("AppData") ||
|
||||
current_dir.contains("Program Files")) {
|
||||
current_dir = QStandardPaths::writableLocation(QStandardPaths::DesktopLocation);
|
||||
}
|
||||
current_dir += "/tutorial2";
|
||||
}
|
||||
directory->setText(current_dir);
|
||||
|
||||
auto *dirbutton = new QPushButton("&Choose");
|
||||
dirlayout->addWidget(directory);
|
||||
dirlayout->addWidget(dirbutton);
|
||||
directory->setObjectName("t2_directory");
|
||||
connect(dirbutton, &QPushButton::released, this, &LammpsGui::get_directory);
|
||||
|
||||
auto *grid = new QGridLayout;
|
||||
auto *purgeval = new QCheckBox;
|
||||
auto *solval = new QCheckBox;
|
||||
auto *purgelabel = new QLabel("Remove existing files from directory");
|
||||
auto *sollabel = new QLabel("Download solutions");
|
||||
purgeval->setCheckState(Qt::Unchecked);
|
||||
purgeval->setObjectName("t2_dirpurge");
|
||||
solval->setCheckState(Qt::Unchecked);
|
||||
solval->setObjectName("t2_getsolution");
|
||||
grid->addWidget(purgeval, 0, 0, Qt::AlignVCenter);
|
||||
grid->addWidget(purgelabel, 0, 1, Qt::AlignVCenter);
|
||||
grid->addWidget(solval, 1, 0, Qt::AlignVCenter);
|
||||
grid->addWidget(sollabel, 1, 1, Qt::AlignVCenter);
|
||||
grid->setColumnStretch(0, 0);
|
||||
grid->setColumnStretch(1, 100);
|
||||
|
||||
auto *layout = new QVBoxLayout(frame);
|
||||
layout->addWidget(label);
|
||||
layout->addLayout(dirlayout);
|
||||
layout->addLayout(grid);
|
||||
|
||||
page->setLayout(layout);
|
||||
return page;
|
||||
if (wizard) delete wizard;
|
||||
wizard = new TutorialWizard(5);
|
||||
const auto infotext =
|
||||
QString("<p>In tutorial 5 you will learn about setting up a simulation for a molecular "
|
||||
"system with bonds. The target is to simulate a carbon nanotube with a "
|
||||
"conventional molecular force field under growing strain and observe the response "
|
||||
"to it. Since bonds are represented by a harmonic potential, they cannot break. "
|
||||
"This is then compared to simulating the same system with a reactive force field "
|
||||
"(AIREBO) where bonds may be broken and formed.</p><hr width=\"33%\"\\>\n<p "
|
||||
"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
|
||||
wizard->setFont(font());
|
||||
wizard->addPage(tutorial_intro(5));
|
||||
wizard->addPage(tutorial_info(5, infotext));
|
||||
wizard->addPage(tutorial_directory(5));
|
||||
wizard->addPage(tutorial_finish(5));
|
||||
wizard->setWindowTitle("Tutorial 5 Setup Wizard");
|
||||
wizard->setWizardStyle(QWizard::ModernStyle);
|
||||
wizard->show();
|
||||
}
|
||||
|
||||
QWizardPage *LammpsGui::tutorial2_finish()
|
||||
void LammpsGui::start_tutorial6()
|
||||
{
|
||||
auto *page = new QWizardPage;
|
||||
page->setTitle("Start Tutorial 2");
|
||||
page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial2-logo.png"));
|
||||
if (wizard) delete wizard;
|
||||
wizard = new TutorialWizard(6);
|
||||
const auto infotext =
|
||||
QString("<p>In tutorial 6 you will learn about setting up a simulation for a molecular "
|
||||
"system with bonds. The target is to simulate a carbon nanotube with a "
|
||||
"conventional molecular force field under growing strain and observe the response "
|
||||
"to it. Since bonds are represented by a harmonic potential, they cannot break. "
|
||||
"This is then compared to simulating the same system with a reactive force field "
|
||||
"(AIREBO) where bonds may be broken and formed.</p><hr width=\"33%\"\\>\n<p "
|
||||
"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
|
||||
wizard->setFont(font());
|
||||
wizard->addPage(tutorial_intro(6));
|
||||
wizard->addPage(tutorial_info(6, infotext));
|
||||
wizard->addPage(tutorial_directory(6));
|
||||
wizard->addPage(tutorial_finish(6));
|
||||
wizard->setWindowTitle("Tutorial 6 Setup Wizard");
|
||||
wizard->setWizardStyle(QWizard::ModernStyle);
|
||||
wizard->show();
|
||||
}
|
||||
|
||||
auto *label = new QLabel("<p align=\"center\">You are now ready to start tutorial 2.</p>\n"
|
||||
"<hr width=\"33%\"\\>\n"
|
||||
"<p align=\"center\">Click on the \"Finish\" button to "
|
||||
"complete the setup.</p>");
|
||||
label->setWordWrap(true);
|
||||
void LammpsGui::start_tutorial7()
|
||||
{
|
||||
if (wizard) delete wizard;
|
||||
wizard = new TutorialWizard(7);
|
||||
const auto infotext =
|
||||
QString("<p>In tutorial 7 you will learn about setting up a simulation for a molecular "
|
||||
"system with bonds. The target is to simulate a carbon nanotube with a "
|
||||
"conventional molecular force field under growing strain and observe the response "
|
||||
"to it. Since bonds are represented by a harmonic potential, they cannot break. "
|
||||
"This is then compared to simulating the same system with a reactive force field "
|
||||
"(AIREBO) where bonds may be broken and formed.</p><hr width=\"33%\"\\>\n<p "
|
||||
"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
|
||||
wizard->setFont(font());
|
||||
wizard->addPage(tutorial_intro(7));
|
||||
wizard->addPage(tutorial_info(7, infotext));
|
||||
wizard->addPage(tutorial_directory(7));
|
||||
wizard->addPage(tutorial_finish(7));
|
||||
wizard->setWindowTitle("Tutorial 7 Setup Wizard");
|
||||
wizard->setWizardStyle(QWizard::ModernStyle);
|
||||
wizard->show();
|
||||
}
|
||||
|
||||
auto *layout = new QVBoxLayout;
|
||||
layout->addWidget(label);
|
||||
layout->setStretch(0, 100);
|
||||
|
||||
page->setLayout(layout);
|
||||
return page;
|
||||
void LammpsGui::start_tutorial8()
|
||||
{
|
||||
if (wizard) delete wizard;
|
||||
wizard = new TutorialWizard(8);
|
||||
const auto infotext =
|
||||
QString("<p>In tutorial 8 you will learn about setting up a simulation for a molecular "
|
||||
"system with bonds. The target is to simulate a carbon nanotube with a "
|
||||
"conventional molecular force field under growing strain and observe the response "
|
||||
"to it. Since bonds are represented by a harmonic potential, they cannot break. "
|
||||
"This is then compared to simulating the same system with a reactive force field "
|
||||
"(AIREBO) where bonds may be broken and formed.</p><hr width=\"33%\"\\>\n<p "
|
||||
"align=\"center\">Click on the \"Next\" button to select a folder.</p>");
|
||||
wizard->setFont(font());
|
||||
wizard->addPage(tutorial_intro(8));
|
||||
wizard->addPage(tutorial_info(8, infotext));
|
||||
wizard->addPage(tutorial_directory(8));
|
||||
wizard->addPage(tutorial_finish(8));
|
||||
wizard->setWindowTitle("Tutorial 8 Setup Wizard");
|
||||
wizard->setWizardStyle(QWizard::ModernStyle);
|
||||
wizard->show();
|
||||
}
|
||||
|
||||
void LammpsGui::howto()
|
||||
@ -1983,12 +2013,12 @@ void LammpsGui::start_lammps()
|
||||
lammps.open(narg, args);
|
||||
lammpsstatus->show();
|
||||
|
||||
// must have a version newer than the 2 August 2023 release of LAMMPS
|
||||
// must have a version newer than the 29 August 2024 release of LAMMPS
|
||||
// TODO: must update this check before next feature release
|
||||
if (lammps.version() <= 20230802) {
|
||||
if (lammps.version() < 20240829) {
|
||||
QMessageBox::critical(this, "Incompatible LAMMPS Version",
|
||||
"LAMMPS-GUI version " LAMMPS_GUI_VERSION " requires\n"
|
||||
"a LAMMPS version more recent than 2 August 2023");
|
||||
"a LAMMPS version of at least 29 August 2024");
|
||||
exit(1);
|
||||
}
|
||||
|
||||
@ -2017,7 +2047,8 @@ bool LammpsGui::eventFilter(QObject *watched, QEvent *event)
|
||||
}
|
||||
|
||||
// LAMMPS geturl command with current location of the input and solution files on the web
|
||||
static const QString geturl = "geturl https://raw.githubusercontent.com/lammpstutorials/"
|
||||
static const QString geturl =
|
||||
"geturl https://raw.githubusercontent.com/lammpstutorials/"
|
||||
"lammpstutorials-article/refs/heads/main/files/tutorial%1/%2 output %2 verify no";
|
||||
|
||||
void LammpsGui::setup_tutorial(int tutno, const QString &dir, bool purgedir, bool getsolution)
|
||||
@ -2071,7 +2102,8 @@ void LammpsGui::setup_tutorial(int tutno, const QString &dir, bool purgedir, boo
|
||||
if (!first.isEmpty()) open_file(first);
|
||||
}
|
||||
|
||||
Tutorial1Wizard::Tutorial1Wizard(QWidget *parent) : QWizard(parent)
|
||||
TutorialWizard::TutorialWizard(int ntutorial, QWidget *parent) :
|
||||
QWizard(parent), _ntutorial(ntutorial)
|
||||
{
|
||||
setWindowIcon(QIcon(":/icons/tutorial-logo.png"));
|
||||
}
|
||||
@ -2079,12 +2111,12 @@ Tutorial1Wizard::Tutorial1Wizard(QWidget *parent) : QWizard(parent)
|
||||
// actions to perform when the wizard for tutorial 1 is complete
|
||||
// and the user has clicked on "Finish"
|
||||
|
||||
void Tutorial1Wizard::accept()
|
||||
void TutorialWizard::accept()
|
||||
{
|
||||
// get pointers to the widgets with the information we need
|
||||
auto *dirname = findChild<QLineEdit *>("t1_directory");
|
||||
auto *dirpurge = findChild<QCheckBox *>("t1_dirpurge");
|
||||
auto *getsol = findChild<QCheckBox *>("t1_getsolution");
|
||||
auto *dirname = findChild<QLineEdit *>("t_directory");
|
||||
auto *dirpurge = findChild<QCheckBox *>("t_dirpurge");
|
||||
auto *getsol = findChild<QCheckBox *>("t_getsolution");
|
||||
|
||||
// create and populate directory.
|
||||
if (dirname) {
|
||||
@ -2092,8 +2124,8 @@ void Tutorial1Wizard::accept()
|
||||
auto curdir = dirname->text().trimmed();
|
||||
if (!directory.mkpath(curdir)) {
|
||||
QMessageBox::warning(this, "Warning",
|
||||
"Cannot create tutorial 1 working directory " + curdir +
|
||||
".\n\nGoing back to directory selection.");
|
||||
"Cannot create tutorial working directory '" + curdir +
|
||||
"'.\n\nGoing back to directory selection.");
|
||||
back();
|
||||
return;
|
||||
}
|
||||
@ -2105,46 +2137,7 @@ void Tutorial1Wizard::accept()
|
||||
LammpsGui *main = nullptr;
|
||||
for (QWidget *widget : QApplication::topLevelWidgets())
|
||||
if (widget->objectName() == "LammpsGui") main = dynamic_cast<LammpsGui *>(widget);
|
||||
if (main) main->setup_tutorial(1, curdir, purgedir, getsolution);
|
||||
}
|
||||
QDialog::accept();
|
||||
}
|
||||
|
||||
Tutorial2Wizard::Tutorial2Wizard(QWidget *parent) : QWizard(parent)
|
||||
{
|
||||
setWindowIcon(QIcon(":/icons/tutorial-logo.png"));
|
||||
}
|
||||
|
||||
// actions to perform when the wizard for tutorial 2 is complete
|
||||
// and the user has clicked on "Finish"
|
||||
|
||||
void Tutorial2Wizard::accept()
|
||||
{
|
||||
// get pointers to the widgets with the information we need
|
||||
auto *dirname = findChild<QLineEdit *>("t2_directory");
|
||||
auto *dirpurge = findChild<QCheckBox *>("t2_dirpurge");
|
||||
auto *getsol = findChild<QCheckBox *>("t2_getsolution");
|
||||
|
||||
// create and populate directory.
|
||||
if (dirname) {
|
||||
QDir directory;
|
||||
auto curdir = dirname->text().trimmed();
|
||||
if (!directory.mkpath(curdir)) {
|
||||
QMessageBox::warning(this, "Warning",
|
||||
"Cannot create tutorial 2 working directory " + curdir +
|
||||
".\n\nGoing back to directory selection.");
|
||||
back();
|
||||
return;
|
||||
}
|
||||
|
||||
bool purgedir = dirpurge && (dirpurge->checkState() == Qt::Checked);
|
||||
bool getsolution = getsol && (getsol->checkState() == Qt::Checked);
|
||||
|
||||
// get hold of LAMMPS-GUI main widget
|
||||
LammpsGui *main = nullptr;
|
||||
for (QWidget *widget : QApplication::topLevelWidgets())
|
||||
if (widget->objectName() == "LammpsGui") main = dynamic_cast<LammpsGui *>(widget);
|
||||
if (main) main->setup_tutorial(2, curdir, purgedir, getsolution);
|
||||
if (main) main->setup_tutorial(_ntutorial, curdir, purgedir, getsolution);
|
||||
}
|
||||
QDialog::accept();
|
||||
}
|
||||
|
||||
Reference in New Issue
Block a user