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.
\n"
+ "The work-in-progress materials for this tutorial are available at: "
+ "github.com/lammpstutorials/lammpstutorials-article
\n"
+ "
\n"
+ "Click on the \"Next\" button to begin.
");
+ 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("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.
"
+ "
\n"
+ "Click on the \"Next\" button to select a folder.
");
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(
+ "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.
\n"
+ "If selected, an existing directory may be cleared.
\n"
+ "Also, available files of the tutorial solution may be downloaded to a "
+ "folder \"solution\", if requested.
\n"
+ "
\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("You are now ready to start tutorial 2.
\n"
+ "
\n"
+ "Click on the \"Finish\" button to "
+ "complete the setup.
");
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("t2_directory");
+ auto *dirpurge = findChild("t2_dirpurge");
+ auto *getsol = findChild("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(widget);
+ if (main) main->setup_tutorial(2, curdir, purgedir, getsolution);
+ }
+ QDialog::accept();
+}
+
// Local Variables:
// c-basic-offset: 4
// End:
diff --git a/tools/lammps-gui/lammpsgui.h b/tools/lammps-gui/lammpsgui.h
index 255df4e150..ce89d23998 100644
--- a/tools/lammps-gui/lammpsgui.h
+++ b/tools/lammps-gui/lammpsgui.h
@@ -64,6 +64,7 @@ class LammpsGui : public QMainWindow {
friend class CodeEditor;
friend class GeneralTab;
friend class Tutorial1Wizard;
+ friend class Tutorial2Wizard;
public:
LammpsGui(QWidget *parent = nullptr, const char *filename = nullptr);
@@ -86,7 +87,9 @@ protected:
QWizardPage *tutorial1_directory();
QWizardPage *tutorial1_finish();
QWizardPage *tutorial2_intro();
+ QWizardPage *tutorial2_info();
QWizardPage *tutorial2_directory();
+ QWizardPage *tutorial2_finish();
void setup_tutorial(int tutno, const QString &dir, bool purgedir, bool getsolution);
void purge_inspect_list();
bool eventFilter(QObject *watched, QEvent *event) override;
@@ -180,6 +183,13 @@ public:
void accept() override;
};
+class Tutorial2Wizard : public QWizard {
+ Q_OBJECT
+
+public:
+ Tutorial2Wizard(QWidget *parent = nullptr);
+ void accept() override;
+};
#endif // LAMMPSGUI_H
// Local Variables:
diff --git a/tools/lammps-gui/lammpsgui.qrc b/tools/lammps-gui/lammpsgui.qrc
index c6be49a40b..5de1a5efba 100644
--- a/tools/lammps-gui/lammpsgui.qrc
+++ b/tools/lammps-gui/lammpsgui.qrc
@@ -3,6 +3,7 @@
icons/lammps-icon-128x128.png
icons/tutorial1-logo.png
+ icons/tutorial2-logo.png
help_index.table
lammps_internal_commands.txt