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add wizard for tutorial 2

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This commit is contained in:
Axel Kohlmeyer
2024-08-11 22:55:27 -04:00
parent 23139db860
commit 9080d6bfed
4 changed files with 163 additions and 8 deletions
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160
tools/lammps-gui/lammpsgui.cpp
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@ -1668,19 +1668,56 @@ QWizardPage *LammpsGui::tutorial1_finish()
void LammpsGui::start_tutorial2()
{
if (wizard) delete wizard;
wizard = new QWizard;
wizard = new Tutorial2Wizard;
wizard->addPage(tutorial2_intro());
wizard->addPage(tutorial2_info());
wizard->addPage(tutorial2_directory());
wizard->addPage(tutorial2_finish());
wizard->setWindowTitle("Tutorial 2 Setup Wizard");
wizard->setWizardStyle(QWizard::ModernStyle);
wizard->show();
}
QWizardPage *LammpsGui::tutorial2_intro()
{
auto *page = new QWizardPage;
page->setTitle("Starting Tutorial 2");
auto *label = new QLabel("This wizard will guide you to get set up for working "
"through the Tutorial 2 from lammpstutorials.github.io.");
page->setTitle("Getting Started With Tutorial 2");
page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial2-logo.png"));
// XXX TODO: update URL to published tutorial DOI
auto *label =
new QLabel("<p>This wizard will help you to select and populate a folder with "
"materials required to work through tutorial 2 from a fourthcoming "
"LAMMPS tutorial using LAMMPS-GUI by Simon Gravelle, Jake Gissinger, "
"and Axel Kohlmeyer.</p>\n"
"The work-in-progress materials for this tutorial are available at: <a"
"<b><a href=\"https://github.com/lammpstutorials/lammpstutorials-article\">"
"github.com/lammpstutorials/lammpstutorials-article</a></b></p><br>\n"
"<hr width=\"33%\"\\>\n"
"<p align=\"center\">Click on the \"Next\" button to begin.</p>");
label->setWordWrap(true);
auto *layout = new QVBoxLayout;
layout->addWidget(label);
page->setLayout(layout);
return page;
}
QWizardPage *LammpsGui::tutorial2_info()
{
auto *page = new QWizardPage;
page->setTitle("Contents of Tutorial 2");
page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial2-logo.png"));
auto *label =
new QLabel("<p>In tutorial 2 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>");
label->setWordWrap(true);
auto *layout = new QVBoxLayout;
@ -1693,11 +1730,79 @@ QWizardPage *LammpsGui::tutorial2_directory()
{
auto *page = new QWizardPage;
page->setTitle("Select Directory for Tutorial 2");
auto *label = new QLabel("Please select a directory to store the files 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;
}
QWizardPage *LammpsGui::tutorial2_finish()
{
auto *page = new QWizardPage;
page->setTitle("Start Tutorial 2");
page->setPixmap(QWizard::WatermarkPixmap, QPixmap(":/icons/tutorial2-logo.png"));
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);
auto *layout = new QVBoxLayout;
layout->addWidget(label);
layout->setStretch(0, 100);
page->setLayout(layout);
return page;
}
@ -1881,7 +1986,7 @@ void LammpsGui::setup_tutorial(int tutno, const QString &dir, bool purgedir, boo
lammps.command(QString("shell cd " + dir).toLocal8Bit());
// read and process manifest
lammps.command(geturl.arg(1).arg(".manifest").toLocal8Bit());
lammps.command(geturl.arg(tutno).arg(".manifest").toLocal8Bit());
QFile manifest(".manifest");
QString line, first;
if (manifest.open(QIODevice::ReadOnly)) {
@ -1895,12 +2000,12 @@ void LammpsGui::setup_tutorial(int tutno, const QString &dir, bool purgedir, boo
// file in subfolder
if (line.contains('/')) {
if (getsolution && line.startsWith("solution")) {
lammps.command(geturl.arg(1).arg(line).toLocal8Bit());
lammps.command(geturl.arg(tutno).arg(line).toLocal8Bit());
}
} else {
// first file is the initial template
if (first.isEmpty()) first = line;
lammps.command(geturl.arg(1).arg(line).toLocal8Bit());
lammps.command(geturl.arg(tutno).arg(line).toLocal8Bit());
}
}
manifest.close();
@ -1948,6 +2053,45 @@ void Tutorial1Wizard::accept()
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);
}
QDialog::accept();
}
// Local Variables:
// c-basic-offset: 4
// End: