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lammps/tools/lammps-gui/imageviewer.cpp
Axel Kohlmeyer 46f28e1fb8 workaround for imageviewer GUI glitch on macOS
2023-08-20 19:11:11 -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 "imageviewer.h"
#include "lammpswrapper.h"
#include <QAction>
#include <QDialogButtonBox>
#include <QDir>
#include <QFileDialog>
#include <QGuiApplication>
#include <QImage>
#include <QImageReader>
#include <QLabel>
#include <QLineEdit>
#include <QMenuBar>
#include <QMessageBox>
#include <QPalette>
#include <QPoint>
#include <QPushButton>
#include <QScreen>
#include <QScrollArea>
#include <QScrollBar>
#include <QSettings>
#include <QSpinBox>
#include <QStatusBar>
#include <QVBoxLayout>
#include <QWheelEvent>
#include <QWidgetAction>
#include <cmath>
extern "C" {
#include "periodic_table.h"
static int get_pte_from_mass(double mass)
{
int idx = 0;
for (int i = 0; i < nr_pte_entries; ++i)
if (fabs(mass - pte_mass[i]) < 0.65) idx = i;
if ((mass > 0.0) && (mass < 2.2)) idx = 1;
// discriminate between Cobalt and Nickel. The loop will detect Nickel
if ((mass < 61.24) && (mass > 58.8133)) idx = 27;
return idx;
}
}
static const QString blank(" ");
ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidget *parent) :
QDialog(parent), imageLabel(new QLabel), scrollArea(new QScrollArea), menuBar(new QMenuBar),
lammps(_lammps), group("all"), filename(fileName)
{
imageLabel->setBackgroundRole(QPalette::Base);
imageLabel->setSizePolicy(QSizePolicy::Ignored, QSizePolicy::Ignored);
imageLabel->setScaledContents(true);
imageLabel->minimumSizeHint();
scrollArea->setBackgroundRole(QPalette::Dark);
scrollArea->setWidget(imageLabel);
scrollArea->setVisible(false);
buttonBox = new QDialogButtonBox(QDialogButtonBox::Close);
connect(buttonBox, &QDialogButtonBox::accepted, this, &QDialog::accept);
connect(buttonBox, &QDialogButtonBox::rejected, this, &QDialog::reject);
QVBoxLayout *mainLayout = new QVBoxLayout;
QSettings settings;
vdwfactor = 0.5;
auto pix = QPixmap(":/emblem-photos.png");
auto *renderstatus = new QLabel(QString());
renderstatus->setPixmap(pix.scaled(22, 22, Qt::KeepAspectRatio));
renderstatus->setEnabled(false);
renderstatus->setToolTip("Render status");
renderstatus->setObjectName("renderstatus");
settings.beginGroup("snapshot");
auto *xval = new QSpinBox;
xval->setRange(100, 10000);
xval->setStepType(QAbstractSpinBox::AdaptiveDecimalStepType);
xval->setValue(settings.value("xsize", "800").toInt());
xval->setObjectName("xsize");
xval->setToolTip("Set rendered image width");
auto *yval = new QSpinBox;
yval->setRange(100, 10000);
yval->setStepType(QAbstractSpinBox::AdaptiveDecimalStepType);
yval->setValue(settings.value("ysize", "600").toInt());
yval->setObjectName("ysize");
yval->setToolTip("Set rendered image height");
settings.endGroup();
connect(xval, &QAbstractSpinBox::editingFinished, this, &ImageViewer::edit_size);
connect(yval, &QAbstractSpinBox::editingFinished, this, &ImageViewer::edit_size);
auto *dummy = new QPushButton(QIcon(),"");
dummy->hide();
auto *dossao = new QPushButton(QIcon(":/hd-img.png"), "");
dossao->setCheckable(true);
dossao->setToolTip("Toggle SSAO rendering");
dossao->setObjectName("ssao");
auto *doanti = new QPushButton(QIcon(":/antialias.png"), "");
doanti->setCheckable(true);
doanti->setToolTip("Toggle anti-aliasing");
doanti->setObjectName("antialias");
auto *dovdw = new QPushButton(QIcon(":/vdw-style.png"), "");
dovdw->setCheckable(true);
dovdw->setToolTip("Toggle VDW style representation");
dovdw->setObjectName("vdw");
auto *dobox = new QPushButton(QIcon(":/system-box.png"), "");
dobox->setCheckable(true);
dobox->setToolTip("Toggle displaying box");
dobox->setObjectName("box");
auto *doaxes = new QPushButton(QIcon(":/axes-img.png"), "");
doaxes->setCheckable(true);
doaxes->setToolTip("Toggle displaying axes");
doaxes->setObjectName("axes");
auto *zoomin = new QPushButton(QIcon(":/gtk-zoom-in.png"), "");
zoomin->setToolTip("Zoom in by 10 percent");
auto *zoomout = new QPushButton(QIcon(":/gtk-zoom-out.png"), "");
zoomout->setToolTip("Zoom out by 10 percent");
auto *rotleft = new QPushButton(QIcon(":/object-rotate-left.png"), "");
rotleft->setToolTip("Rotate left by 15 degrees");
auto *rotright = new QPushButton(QIcon(":/object-rotate-right.png"), "");
rotright->setToolTip("Rotate right by 15 degrees");
auto *rotup = new QPushButton(QIcon(":/gtk-go-up.png"), "");
rotup->setToolTip("Rotate up by 15 degrees");
auto *rotdown = new QPushButton(QIcon(":/gtk-go-down.png"), "");
rotdown->setToolTip("Rotate down by 15 degrees");
auto *reset = new QPushButton(QIcon(":/gtk-zoom-fit.png"), "");
reset->setToolTip("Reset view to defaults");
auto *combo = new QComboBox;
combo->setObjectName("group");
combo->setToolTip("Select group to display");
combo->setObjectName("group");
int ngroup = lammps->id_count("group");
char gname[64];
for (int i = 0; i < ngroup; ++i) {
lammps->id_name("group", i, gname, 64);
combo->addItem(gname);
}
QHBoxLayout *menuLayout = new QHBoxLayout;
menuLayout->addWidget(menuBar);
menuLayout->addWidget(renderstatus);
menuLayout->addWidget(new QLabel(" Width: "));
menuLayout->addWidget(xval);
menuLayout->addWidget(new QLabel(" Height: "));
menuLayout->addWidget(yval);
menuLayout->addWidget(dummy);
menuLayout->addWidget(dossao);
menuLayout->addWidget(doanti);
menuLayout->addWidget(dovdw);
menuLayout->addWidget(dobox);
menuLayout->addWidget(doaxes);
menuLayout->addWidget(zoomin);
menuLayout->addWidget(zoomout);
menuLayout->addWidget(rotleft);
menuLayout->addWidget(rotright);
menuLayout->addWidget(rotup);
menuLayout->addWidget(rotdown);
menuLayout->addWidget(reset);
menuLayout->addWidget(new QLabel(" Group: "));
menuLayout->addWidget(combo);
connect(dossao, &QPushButton::released, this, &ImageViewer::toggle_ssao);
connect(doanti, &QPushButton::released, this, &ImageViewer::toggle_anti);
connect(dovdw, &QPushButton::released, this, &ImageViewer::toggle_vdw);
connect(dobox, &QPushButton::released, this, &ImageViewer::toggle_box);
connect(doaxes, &QPushButton::released, this, &ImageViewer::toggle_axes);
connect(zoomin, &QPushButton::released, this, &ImageViewer::do_zoom_in);
connect(zoomout, &QPushButton::released, this, &ImageViewer::do_zoom_out);
connect(rotleft, &QPushButton::released, this, &ImageViewer::do_rot_left);
connect(rotright, &QPushButton::released, this, &ImageViewer::do_rot_right);
connect(rotup, &QPushButton::released, this, &ImageViewer::do_rot_up);
connect(rotdown, &QPushButton::released, this, &ImageViewer::do_rot_down);
connect(reset, &QPushButton::released, this, &ImageViewer::reset_view);
connect(combo, SIGNAL(currentIndexChanged(int)), this, SLOT(change_group(int)));
mainLayout->addLayout(menuLayout);
mainLayout->addWidget(scrollArea);
mainLayout->addWidget(buttonBox);
setWindowTitle(QString("Image Viewer: ") + QFileInfo(fileName).fileName());
createActions();
reset_view();
dobox->setChecked(showbox);
dovdw->setChecked(vdwfactor > 1.0);
doaxes->setChecked(showaxes);
dossao->setChecked(usessao);
doanti->setChecked(antialias);
scaleFactor = 1.0;
resize(image.width() + 20, image.height() + 50);
scrollArea->setVisible(true);
fitToWindowAct->setEnabled(true);
updateActions();
if (!fitToWindowAct->isChecked()) imageLabel->adjustSize();
setLayout(mainLayout);
}
void ImageViewer::reset_view()
{
QSettings settings;
settings.beginGroup("snapshot");
xsize = settings.value("xsize", "800").toInt();
ysize = settings.value("ysize", "600").toInt();
zoom = settings.value("zoom", 1.0).toDouble();
hrot = settings.value("hrot", 60).toInt();
vrot = settings.value("vrot", 30).toInt();
vdwfactor = settings.value("vdwstyle", false).toBool() ? 1.6 : 0.5;
showbox = settings.value("box", true).toBool();
showaxes = settings.value("axes", false).toBool();
usessao = settings.value("ssao", false).toBool();
antialias = settings.value("antialias", false).toBool();
settings.endGroup();
// reset state of checkable push buttons and combo box (if accessible)
auto *field = findChild<QSpinBox *>("xsize");
if (field) field->setValue(xsize);
field = findChild<QSpinBox *>("ysize");
if (field) field->setValue(ysize);
auto *button = findChild<QPushButton *>("ssao");
if (button) button->setChecked(usessao);
button = findChild<QPushButton *>("antialias");
if (button) button->setChecked(antialias);
button = findChild<QPushButton *>("vdw");
if (button) button->setChecked(vdwfactor > 1.0);
button = findChild<QPushButton *>("box");
if (button) button->setChecked(showbox);
button = findChild<QPushButton *>("axes");
if (button) button->setChecked(showaxes);
auto *cb = findChild<QComboBox *>("combo");
if (cb) cb->setCurrentText("all");
createImage();
}
void ImageViewer::edit_size()
{
QSpinBox *field = qobject_cast<QSpinBox *>(sender());
if (field->objectName() == "xsize") {
xsize = field->value();
} else if (field->objectName() == "ysize") {
ysize = field->value();
}
createImage();
}
void ImageViewer::toggle_ssao()
{
QPushButton *button = qobject_cast<QPushButton *>(sender());
usessao = !usessao;
button->setChecked(usessao);
createImage();
}
void ImageViewer::toggle_anti()
{
QPushButton *button = qobject_cast<QPushButton *>(sender());
antialias = !antialias;
button->setChecked(antialias);
createImage();
}
void ImageViewer::toggle_vdw()
{
QPushButton *button = qobject_cast<QPushButton *>(sender());
if (vdwfactor > 1.0)
vdwfactor = 0.5;
else
vdwfactor = 1.6;
button->setChecked(vdwfactor > 1.0);
createImage();
}
void ImageViewer::toggle_box()
{
QPushButton *button = qobject_cast<QPushButton *>(sender());
showbox = !showbox;
button->setChecked(showbox);
createImage();
}
void ImageViewer::toggle_axes()
{
QPushButton *button = qobject_cast<QPushButton *>(sender());
showaxes = !showaxes;
button->setChecked(showaxes);
createImage();
}
void ImageViewer::do_zoom_in()
{
zoom = zoom * 1.1;
if (zoom > 5.0) zoom = 5.0;
createImage();
}
void ImageViewer::do_zoom_out()
{
zoom = zoom / 1.1;
if (zoom < 0.5) zoom = 0.5;
createImage();
}
void ImageViewer::do_rot_left()
{
vrot -= 10;
if (vrot < -180) vrot += 360;
createImage();
}
void ImageViewer::do_rot_right()
{
vrot += 10;
if (vrot > 180) vrot -= 360;
createImage();
}
void ImageViewer::do_rot_down()
{
hrot -= 10;
if (hrot < 0) hrot += 360;
createImage();
}
void ImageViewer::do_rot_up()
{
hrot += 10;
if (hrot > 360) hrot -= 360;
createImage();
}
void ImageViewer::change_group(int idx)
{
QComboBox *box = findChild<QComboBox *>("group");
if (box) group = box->currentText();
createImage();
}
void ImageViewer::createImage()
{
QLabel *renderstatus = findChild<QLabel *>("renderstatus");
if (renderstatus) renderstatus->setEnabled(true);
repaint();
QSettings settings;
QString dumpcmd = QString("write_dump ") + group + " image ";
QDir dumpdir(QDir::tempPath());
QFile dumpfile(dumpdir.absoluteFilePath(filename + ".ppm"));
dumpcmd += dumpfile.fileName();
settings.beginGroup("snapshot");
int aa = antialias ? 2 : 1;
int tmpxsize = xsize * aa;
int tmpysize = ysize * aa;
int hhrot = (hrot > 180) ? 360 - hrot : hrot;
// determine elements from masses and set their covalent radii
int ntypes = lammps->extract_setting("ntypes");
int nbondtypes = lammps->extract_setting("nbondtypes");
double *masses = (double *)lammps->extract_atom("mass");
QString units = (const char *)lammps->extract_global("units");
QString elements = "element ";
QString adiams;
if ((units == "real") || (units == "metal")) {
for (int i = 1; i <= ntypes; ++i) {
int idx = get_pte_from_mass(masses[i]);
elements += QString(pte_label[idx]) + blank;
adiams += QString("adiam %1 %2 ").arg(i).arg(vdwfactor * pte_vdw_radius[idx]);
}
}
if (!adiams.isEmpty())
dumpcmd += blank + "element";
else
dumpcmd += blank + settings.value("color", "type").toString();
dumpcmd += blank + settings.value("diameter", "type").toString();
dumpcmd += QString(" size ") + QString::number(tmpxsize) + blank + QString::number(tmpysize);
dumpcmd += QString(" zoom ") + QString::number(zoom);
dumpcmd += " shiny 0.5 ";
if (nbondtypes > 0) {
if (vdwfactor > 1.0)
dumpcmd += " bond none none ";
else
dumpcmd += " bond atom 0.5 ";
}
if (lammps->extract_setting("dimension") == 3) {
dumpcmd += QString(" view ") + QString::number(hhrot) + blank + QString::number(vrot);
}
if (usessao) dumpcmd += QString(" ssao yes 453983 0.75");
if (showbox)
dumpcmd += QString(" box yes 0.025");
else
dumpcmd += QString(" box no 0.0");
if (showaxes)
dumpcmd += QString(" axes yes 0.5 0.025");
else
dumpcmd += QString(" axes no 0.0 0.0");
dumpcmd += " modify boxcolor " + settings.value("boxcolor", "yellow").toString();
dumpcmd += " backcolor " + settings.value("background", "black").toString();
if (!adiams.isEmpty()) dumpcmd += blank + elements + blank + adiams + blank;
settings.endGroup();
lammps->command(dumpcmd.toLocal8Bit());
QImageReader reader(dumpfile.fileName());
reader.setAutoTransform(true);
const QImage newImage = reader.read();
if (newImage.isNull()) {
QMessageBox::warning(
this, QGuiApplication::applicationDisplayName(),
QString("Cannot load %1: %2").arg(dumpfile.fileName(), reader.errorString()));
return;
}
dumpfile.remove();
// scale back to achieve antialiasing
image = newImage.scaled(xsize, ysize, Qt::IgnoreAspectRatio, Qt::SmoothTransformation);
imageLabel->setPixmap(QPixmap::fromImage(image));
imageLabel->adjustSize();
if (renderstatus) renderstatus->setEnabled(false);
repaint();
}
void ImageViewer::saveAs()
{
QString fileName = QFileDialog::getSaveFileName(this, "Save Image File As", QString(),
"Image Files (*.jpg *.png *.bmp *.ppm)");
saveFile(fileName);
}
void ImageViewer::copy() {}
void ImageViewer::zoomIn()
{
scaleImage(1.25);
}
void ImageViewer::zoomOut()
{
scaleImage(0.8);
}
void ImageViewer::normalSize()
{
imageLabel->adjustSize();
scaleFactor = 1.0;
}
void ImageViewer::fitToWindow()
{
bool fitToWindow = fitToWindowAct->isChecked();
scrollArea->setWidgetResizable(fitToWindow);
if (!fitToWindow) normalSize();
updateActions();
}
void ImageViewer::saveFile(const QString &fileName)
{
if (!fileName.isEmpty()) image.save(fileName);
}
void ImageViewer::createActions()
{
QMenu *fileMenu = menuBar->addMenu("&File");
saveAsAct = fileMenu->addAction("&Save As...", this, &ImageViewer::saveAs);
saveAsAct->setIcon(QIcon(":/document-save-as.png"));
saveAsAct->setEnabled(false);
fileMenu->addSeparator();
copyAct = fileMenu->addAction("&Copy", this, &ImageViewer::copy);
copyAct->setIcon(QIcon(":/edit-copy.png"));
copyAct->setShortcut(QKeySequence::Copy);
copyAct->setEnabled(false);
fileMenu->addSeparator();
QAction *exitAct = fileMenu->addAction("&Close", this, &QWidget::close);
exitAct->setIcon(QIcon(":/window-close.png"));
exitAct->setShortcut(QKeySequence::fromString("Ctrl+W"));
QMenu *viewMenu = menuBar->addMenu("&View");
zoomInAct = viewMenu->addAction("Image Zoom &In (25%)", this, &ImageViewer::zoomIn);
zoomInAct->setShortcut(QKeySequence::ZoomIn);
zoomInAct->setIcon(QIcon(":/gtk-zoom-in.png"));
zoomInAct->setEnabled(false);
zoomOutAct = viewMenu->addAction("Image Zoom &Out (25%)", this, &ImageViewer::zoomOut);
zoomOutAct->setShortcut(QKeySequence::ZoomOut);
zoomOutAct->setIcon(QIcon(":/gtk-zoom-out.png"));
zoomOutAct->setEnabled(false);
normalSizeAct = viewMenu->addAction("&Reset Image Size", this, &ImageViewer::normalSize);
normalSizeAct->setShortcut(QKeySequence::fromString("Ctrl+0"));
normalSizeAct->setIcon(QIcon(":/gtk-zoom-fit.png"));
normalSizeAct->setEnabled(false);
viewMenu->addSeparator();
fitToWindowAct = viewMenu->addAction("&Fit to Window", this, &ImageViewer::fitToWindow);
fitToWindowAct->setEnabled(false);
fitToWindowAct->setCheckable(true);
fitToWindowAct->setShortcut(QKeySequence::fromString("Ctrl+="));
}
void ImageViewer::updateActions()
{
saveAsAct->setEnabled(!image.isNull());
copyAct->setEnabled(!image.isNull());
zoomInAct->setEnabled(!fitToWindowAct->isChecked());
zoomOutAct->setEnabled(!fitToWindowAct->isChecked());
normalSizeAct->setEnabled(!fitToWindowAct->isChecked());
}
void ImageViewer::scaleImage(double factor)
{
scaleFactor *= factor;
#if QT_VERSION < QT_VERSION_CHECK(5, 15, 0)
imageLabel->resize(scaleFactor * imageLabel->pixmap()->size());
#else
imageLabel->resize(scaleFactor * imageLabel->pixmap(Qt::ReturnByValue).size());
#endif
adjustScrollBar(scrollArea->horizontalScrollBar(), factor);
adjustScrollBar(scrollArea->verticalScrollBar(), factor);
zoomInAct->setEnabled(scaleFactor < 3.0);
zoomOutAct->setEnabled(scaleFactor > 0.333);
}
void ImageViewer::adjustScrollBar(QScrollBar *scrollBar, double factor)
{
scrollBar->setValue(
int(factor * scrollBar->value() + ((factor - 1) * scrollBar->pageStep() / 2)));
}
// Local Variables:
// c-basic-offset: 4
// End:
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