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d414dd52d55da15ae36d4144879327ab60927f33
lammps/tools/lammps-gui/preferences.cpp
Axel Kohlmeyer d414dd52d5 subclass QPlainTextEdit for logwindows, so we can store its size on close 
also some more settings tweaks (e.g. do not store window size when maximized)
and add setting to replace log windows instead or creating new ones.
2023-08-09 00:32:22 -04:00

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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
LAMMPS development team: developers@lammps.org
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "preferences.h"
#include "lammpswrapper.h"
#include <QCheckBox>
#include <QCoreApplication>
#include <QDialogButtonBox>
#include <QDir>
#include <QDoubleValidator>
#include <QFileDialog>
#include <QGroupBox>
#include <QHBoxLayout>
#include <QIntValidator>
#include <QLabel>
#include <QLineEdit>
#include <QMessageBox>
#include <QPushButton>
#include <QRadioButton>
#include <QSettings>
#include <QSpacerItem>
#include <QTabWidget>
#include <QVBoxLayout>
#if defined(_OPENMP)
#include <omp.h>
#endif
Preferences::Preferences(LammpsWrapper *_lammps, QWidget *parent) :
QDialog(parent), tabWidget(new QTabWidget),
buttonBox(new QDialogButtonBox(QDialogButtonBox::Ok | QDialogButtonBox::Cancel)),
settings(new QSettings), lammps(_lammps)
{
tabWidget->addTab(new GeneralTab(settings, lammps), "&General Settings");
tabWidget->addTab(new AcceleratorTab(settings, lammps), "&Accelerators");
tabWidget->addTab(new SnapshotTab(settings), "&Snapshot Image");
connect(buttonBox, &QDialogButtonBox::accepted, this, &Preferences::accept);
connect(buttonBox, &QDialogButtonBox::rejected, this, &QDialog::reject);
auto *layout = new QVBoxLayout;
layout->addWidget(tabWidget);
layout->addWidget(buttonBox);
setLayout(layout);
setWindowTitle("LAMMPS-GUI - Preferences");
resize(500, 400);
}
Preferences::~Preferences()
{
delete buttonBox;
delete tabWidget;
delete settings;
}
void Preferences::accept()
{
// store all data in settings class
// and then confirm accepting
// store selected accelerator
QList<QRadioButton *> allButtons = tabWidget->findChildren<QRadioButton *>();
for (int i = 0; i < allButtons.size(); ++i) {
if (allButtons[i]->isChecked()) {
if (allButtons[i]->objectName() == "none")
settings->setValue("accelerator", QString::number(AcceleratorTab::None));
if (allButtons[i]->objectName() == "opt")
settings->setValue("accelerator", QString::number(AcceleratorTab::Opt));
if (allButtons[i]->objectName() == "openmp")
settings->setValue("accelerator", QString::number(AcceleratorTab::OpenMP));
if (allButtons[i]->objectName() == "intel")
settings->setValue("accelerator", QString::number(AcceleratorTab::Intel));
if (allButtons[i]->objectName() == "kokkos")
settings->setValue("accelerator", QString::number(AcceleratorTab::Kokkos));
if (allButtons[i]->objectName() == "gpu")
settings->setValue("accelerator", QString::number(AcceleratorTab::Gpu));
}
}
// store number of threads
QLineEdit *field = tabWidget->findChild<QLineEdit *>("nthreads");
if (field)
if (field->hasAcceptableInput()) settings->setValue("nthreads", field->text());
// store image width, height, and zoom
settings->beginGroup("snapshot");
field = tabWidget->findChild<QLineEdit *>("xsize");
if (field)
if (field->hasAcceptableInput()) settings->setValue("xsize", field->text());
field = tabWidget->findChild<QLineEdit *>("ysize");
if (field)
if (field->hasAcceptableInput()) settings->setValue("ysize", field->text());
field = tabWidget->findChild<QLineEdit *>("zoom");
if (field)
if (field->hasAcceptableInput()) settings->setValue("zoom", field->text());
settings->endGroup();
// general settings
QCheckBox *box = tabWidget->findChild<QCheckBox *>("echo");
if (box) settings->setValue("echo", box->isChecked());
box = tabWidget->findChild<QCheckBox *>("cite");
if (box) settings->setValue("cite", box->isChecked());
box = tabWidget->findChild<QCheckBox *>("logreplace");
if (box) settings->setValue("logreplace", box->isChecked());
QDialog::accept();
}
GeneralTab::GeneralTab(QSettings *_settings, LammpsWrapper *_lammps, QWidget *parent) :
QWidget(parent), settings(_settings), lammps(_lammps)
{
auto *layout = new QVBoxLayout;
auto *echo = new QCheckBox("Echo input to log");
echo->setObjectName("echo");
echo->setCheckState(settings->value("echo", false).toBool() ? Qt::Checked : Qt::Unchecked);
auto *cite = new QCheckBox("Include citation details");
cite->setObjectName("cite");
cite->setCheckState(settings->value("cite", false).toBool() ? Qt::Checked : Qt::Unchecked);
auto *logr = new QCheckBox("Replace log window on new run");
logr->setObjectName("logreplace");
logr->setCheckState(settings->value("logreplace", false).toBool() ? Qt::Checked
: Qt::Unchecked);
#if !defined(__APPLE__)
auto *tmplabel = new QLabel("Scratch Folder:");
auto *tmpedit = new QLineEdit(settings->value("tempdir", ".").toString());
auto *tmpbrowse = new QPushButton("Browse...");
auto *tmplayout = new QHBoxLayout;
tmpedit->setObjectName("tmpedit");
tmplayout->addWidget(tmplabel);
tmplayout->addWidget(tmpedit);
tmplayout->addWidget(tmpbrowse);
#endif
#if defined(LAMMPS_GUI_USE_PLUGIN)
auto *pluginlabel = new QLabel("Path to LAMMPS Shared Library File:");
auto *pluginedit =
new QLineEdit(settings->value("plugin_path", "liblammpsplugin.so").toString());
auto *pluginbrowse = new QPushButton("Browse...");
auto *pluginlayout = new QHBoxLayout;
pluginedit->setObjectName("pluginedit");
pluginlayout->addWidget(pluginedit);
pluginlayout->addWidget(pluginbrowse);
connect(pluginbrowse, &QPushButton::released, this, &GeneralTab::pluginpath);
#endif
layout->addWidget(echo);
layout->addWidget(cite);
layout->addWidget(logr);
#if !defined(__APPLE__)
layout->addLayout(tmplayout);
#endif
#if defined(LAMMPS_GUI_USE_PLUGIN)
layout->addWidget(pluginlabel);
layout->addLayout(pluginlayout);
#endif
layout->addStretch(1);
setLayout(layout);
}
void GeneralTab::newtmpfolder()
{
QLineEdit *field = findChild<QLineEdit *>("tmpedit");
QString tmpdir =
QFileDialog::getExistingDirectory(this, "Find Folder for Temporary Files", field->text());
if (!tmpdir.isEmpty()) field->setText(tmpdir);
}
void GeneralTab::pluginpath()
{
QLineEdit *field = findChild<QLineEdit *>("pluginedit");
QString pluginfile =
QFileDialog::getOpenFileName(this, "Select Shared LAMMPS Library to Load", field->text(),
"Shared Objects (*.so *.dll *.dylib)");
if (!pluginfile.isEmpty() && pluginfile.contains("liblammps", Qt::CaseSensitive)) {
if (lammps->load_lib(pluginfile.toStdString().c_str())) {
auto canonical = QFileInfo(pluginfile).canonicalFilePath();
field->setText(pluginfile);
settings->setValue("plugin_path", canonical);
} else {
// plugin did not load cannot continue
settings->remove("plugin_path");
QMessageBox::critical(this, "Error", "Cannot open LAMMPS shared library file");
QCoreApplication::quit();
}
}
}
AcceleratorTab::AcceleratorTab(QSettings *_settings, LammpsWrapper *_lammps, QWidget *parent) :
QWidget(parent), settings(_settings), lammps(_lammps)
{
auto *mainLayout = new QHBoxLayout;
auto *accelerator = new QGroupBox("Choose Accelerator:");
auto *none = new QRadioButton("&None");
auto *opt = new QRadioButton("O&pt");
auto *openmp = new QRadioButton("&OpenMP");
auto *intel = new QRadioButton("&Intel");
auto *kokkos = new QRadioButton("&Kokkos");
auto *gpu = new QRadioButton("&GPU");
auto *buttonLayout = new QVBoxLayout;
buttonLayout->addWidget(none);
buttonLayout->addWidget(opt);
buttonLayout->addWidget(openmp);
buttonLayout->addWidget(intel);
buttonLayout->addWidget(kokkos);
buttonLayout->addWidget(gpu);
buttonLayout->addStretch(1);
accelerator->setLayout(buttonLayout);
mainLayout->addWidget(accelerator);
none->setEnabled(true);
none->setObjectName("none");
opt->setEnabled(lammps->config_has_package("OPT"));
opt->setObjectName("opt");
openmp->setEnabled(lammps->config_has_package("OPENMP"));
openmp->setObjectName("openmp");
intel->setEnabled(lammps->config_has_package("INTEL"));
intel->setObjectName("intel");
// Kokkos support only works with OpenMP for now.
kokkos->setEnabled(false);
if (lammps->config_has_package("KOKKOS")) {
if (lammps->config_accelerator("KOKKOS", "api", "openmp") &&
!(lammps->config_accelerator("KOKKOS", "api", "cuda") ||
lammps->config_accelerator("KOKKOS", "api", "hip") ||
lammps->config_accelerator("KOKKOS", "api", "sycl")))
kokkos->setEnabled(true);
}
kokkos->setObjectName("kokkos");
gpu->setEnabled(lammps->config_has_package("GPU") && lammps->has_gpu_device());
gpu->setObjectName("gpu");
int choice = settings->value("accelerator", AcceleratorTab::None).toInt();
switch (choice) {
case AcceleratorTab::Opt:
if (opt->isEnabled()) opt->setChecked(true);
break;
case AcceleratorTab::OpenMP:
if (openmp->isEnabled()) openmp->setChecked(true);
break;
case AcceleratorTab::Intel:
if (intel->isEnabled()) intel->setChecked(true);
break;
case AcceleratorTab::Kokkos:
if (kokkos->isEnabled()) kokkos->setChecked(true);
break;
case AcceleratorTab::Gpu:
if (gpu->isEnabled()) gpu->setChecked(true);
break;
case AcceleratorTab::None: // fallthrough
default:
none->setChecked(true);
break;
}
int maxthreads = 1;
#if defined(_OPENMP)
maxthreads = omp_get_max_threads();
#endif
auto *choices = new QFrame;
auto *choiceLayout = new QVBoxLayout;
auto *ntlabel = new QLabel("Number of threads:");
auto *ntchoice = new QLineEdit(settings->value("nthreads", maxthreads).toString());
auto *intval = new QIntValidator(1, maxthreads, this);
ntchoice->setValidator(intval);
ntchoice->setObjectName("nthreads");
choiceLayout->addWidget(ntlabel);
choiceLayout->addWidget(ntchoice);
choices->setLayout(choiceLayout);
choiceLayout->addStretch(1);
mainLayout->addWidget(choices);
setLayout(mainLayout);
}
SnapshotTab::SnapshotTab(QSettings *_settings, QWidget *parent) :
QWidget(parent), settings(_settings)
{
auto *grid = new QGridLayout;
auto *xsize = new QLabel("Image width:");
auto *ysize = new QLabel("Image height:");
auto *zoom = new QLabel("Zoom factor:");
settings->beginGroup("snapshot");
auto *xval = new QLineEdit(settings->value("xsize", "800").toString());
auto *yval = new QLineEdit(settings->value("ysize", "600").toString());
auto *zval = new QLineEdit(settings->value("zoom", "1.0").toString());
settings->endGroup();
auto *intval = new QIntValidator(100, 100000, this);
xval->setValidator(intval);
xval->setObjectName("xsize");
yval->setValidator(intval);
yval->setObjectName("ysize");
zval->setValidator(new QDoubleValidator(0.01, 100.0, 100, this));
zval->setObjectName("zoom");
grid->addWidget(xsize, 0, 0, Qt::AlignTop);
grid->addWidget(ysize, 1, 0, Qt::AlignTop);
grid->addWidget(zoom, 2, 0, Qt::AlignTop);
grid->addWidget(xval, 0, 1, Qt::AlignTop);
grid->addWidget(yval, 1, 1, Qt::AlignTop);
grid->addWidget(zval, 2, 1, Qt::AlignTop);
grid->addItem(new QSpacerItem(100, 100, QSizePolicy::Minimum, QSizePolicy::Expanding), 3, 0);
grid->addItem(new QSpacerItem(100, 100, QSizePolicy::Minimum, QSizePolicy::Expanding), 3, 1);
grid->addItem(new QSpacerItem(100, 100, QSizePolicy::Expanding, QSizePolicy::Expanding), 3, 2);
setLayout(grid);
}
// Local Variables:
// c-basic-offset: 4
// End:
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