add support for near-interactive image processing

tools/lammps-gui/TODO.md

@@ -2,9 +2,6 @@ LAMMPS-GUI TODO list:
 
 # Short term goals
 
-- add option to image viewer to select a group and rerender, similar for the two rotate options with +/- buttons and +/- zoom buttons.
-  add checkbutton for HQ rendering (i.e. SSAO)
-  also move the image setting preferences there and remove scrollwheel zoom support.
 - use qgetenv, qputenv for portability
 - use QFile/QDir/QFileInto for portable file and directory operations.
 - write LAMMPS GUI Howto showing/explaining options -> simplify docs and readme

tools/lammps-gui/imageviewer.cpp

@@ -36,9 +36,11 @@
 #include <QWheelEvent>
 #include <QWidgetAction>
 
+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")
+    lammps(_lammps), group("all"), filename(fileName)
 {
     imageLabel->setBackgroundRole(QPalette::Base);
     imageLabel->setSizePolicy(QSizePolicy::Ignored, QSizePolicy::Ignored);
@@ -55,40 +57,56 @@ ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidge
     connect(buttonBox, &QDialogButtonBox::rejected, this, &QDialog::reject);
 
     QVBoxLayout *mainLayout = new QVBoxLayout;
+
+    auto *zoomin   = new QPushButton("Zoom In");
+    auto *zoomout  = new QPushButton("Zoom Out");
+    auto *rotleft  = new QPushButton("Rotate Left");
+    auto *rotright = new QPushButton("Rotate Right");
+    auto *rotup    = new QPushButton("Rotate Up");
+    auto *rotdown  = new QPushButton("Rotate Down");
+    auto *combo    = new QComboBox;
+    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(new QPushButton("Zoom Out"));
-    menuLayout->addWidget(new QPushButton("Zoom In"));
-    menuLayout->addWidget(new QPushButton("Rotate Left"));
-    menuLayout->addWidget(new QPushButton("Rotate Right"));
-    menuLayout->addWidget(new QPushButton("Rotate Up"));
-    menuLayout->addWidget(new QPushButton("Rotate Down"));
-    menuLayout->addWidget(new QComboBox);
+    menuLayout->addWidget(zoomin);
+    menuLayout->addWidget(zoomout);
+    menuLayout->addWidget(rotleft);
+    menuLayout->addWidget(rotright);
+    menuLayout->addWidget(rotup);
+    menuLayout->addWidget(rotdown);
+    menuLayout->addWidget(new QLabel(" Group: "));
+    menuLayout->addWidget(combo);
+
+    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(combo, SIGNAL(currentIndexChanged(int)), this, SLOT(change_group(int)));
 
     mainLayout->addLayout(menuLayout);
     mainLayout->addWidget(scrollArea);
     mainLayout->addWidget(buttonBox);
     setWindowTitle(QString("Image Viewer: ") + QFileInfo(fileName).completeBaseName());
 
-    createActions();
-
-    QImageReader reader(fileName);
-    reader.setAutoTransform(true);
-    const QImage newImage = reader.read();
-
-    if (newImage.isNull()) {
-        QMessageBox::warning(this, QGuiApplication::applicationDisplayName(),
-                             tr("Cannot load %1: %2").arg(fileName, reader.errorString()));
-        return;
-    }
     QSettings settings;
     settings.beginGroup("snapshot");
-    int xsize = settings.value("xsize", 800).toInt();
-    int 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();
     settings.endGroup();
-    // scale back to achieve antialiasing
-    image = newImage.scaled(xsize, ysize, Qt::IgnoreAspectRatio, Qt::SmoothTransformation);
-    imageLabel->setPixmap(QPixmap::fromImage(image));
+
+    createActions();
+    createImage();
+
     scaleFactor = 1.0;
     resize(image.width() + 20, image.height() + 50);
 
@@ -99,6 +117,102 @@ ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidge
     setLayout(mainLayout);
 }
 
+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_right()
+{
+    vrot -= 15;
+    if (vrot < 0) vrot += 360;
+    createImage();
+}
+
+void ImageViewer::do_rot_left()
+{
+    vrot += 15;
+    if (vrot > 360) vrot -= 360;
+    createImage();
+}
+
+void ImageViewer::do_rot_down()
+{
+    hrot -= 15;
+    if (hrot < 0) hrot += 360;
+    createImage();
+}
+
+void ImageViewer::do_rot_up()
+{
+    hrot += 15;
+    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()
+{
+    QSettings settings;
+    QString dumpcmd = QString("write_dump ") + group + " image ";
+    QDir dumpdir    = settings.value("tempdir").toString();
+    QFile dumpfile(dumpdir.absoluteFilePath(filename + ".ppm"));
+    dumpcmd += dumpfile.fileName();
+
+    settings.beginGroup("snapshot");
+    int aa    = settings.value("antialias", 0).toInt() + 1;
+    int xsize = settings.value("xsize", 800).toInt() * aa;
+    int ysize = settings.value("ysize", 600).toInt() * aa;
+
+    dumpcmd += blank + settings.value("color", "type").toString();
+    dumpcmd += blank + settings.value("diameter", "type").toString();
+    dumpcmd += QString(" size ") + QString::number(xsize) + blank + QString::number(ysize);
+    dumpcmd += QString(" zoom ") + QString::number(zoom);
+    lammps->command(dumpcmd.toLocal8Bit());
+    if (lammps->extract_setting("dimension") == 3) {
+        dumpcmd += QString(" view ") + QString::number(hrot) + blank + QString::number(vrot);
+    }
+    if (settings.value("ssao", false).toBool()) dumpcmd += QString(" ssao yes 453983 0.6");
+    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(),
+            tr("Cannot load %1: %2").arg(dumpfile.fileName(), reader.errorString()));
+        return;
+    }
+    dumpfile.remove();
+
+    settings.beginGroup("snapshot");
+    xsize = settings.value("xsize", 800).toInt();
+    ysize = settings.value("ysize", 600).toInt();
+    settings.endGroup();
+    // scale back to achieve antialiasing
+    image = newImage.scaled(xsize, ysize, Qt::IgnoreAspectRatio, Qt::SmoothTransformation);
+    imageLabel->setPixmap(QPixmap::fromImage(image));
+}
+
 void ImageViewer::saveAs()
 {
     QString fileName = QFileDialog::getSaveFileName(this, "Save Image File As", QString(),

tools/lammps-gui/imageviewer.h

@@ -45,8 +45,17 @@ private slots:
     void normalSize();
     void fitToWindow();
 
+    void do_zoom_in();
+    void do_zoom_out();
+    void do_rot_left();
+    void do_rot_right();
+    void do_rot_up();
+    void do_rot_down();
+    void change_group(int);
+
 private:
     void createActions();
+    void createImage();
     void updateActions();
     void saveFile(const QString &fileName);
     void scaleImage(double factor);
@@ -69,6 +78,9 @@ private:
 
     LammpsWrapper *lammps;
     QString group;
+    QString filename;
+    int hrot, vrot;
+    double zoom;
 };
 #endif
 

tools/lammps-gui/lammpsgui.cpp

@@ -230,7 +230,6 @@ LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
         // none of the plugin paths could load, remove key
         settings.remove("plugin_path");
         QMessageBox::critical(this, "Error", "Cannot open LAMMPS shared library file");
-        // QCoreApplication::quit();
         exit(1);
     }
 #endif
@@ -715,38 +714,7 @@ void LammpsGui::view_image()
                                  "Cannot create snapshot image without a system box");
             return;
         }
-
-        QSettings settings;
-        QString dumpcmd  = "write_dump all image ";
-        QString dumpfile = settings.value("tempdir").toString();
-#if defined(_WIN32)
-        dumpfile += '\\';
-#else
-        dumpfile += '/';
-#endif
-        dumpfile += current_file + ".ppm";
-        dumpcmd += dumpfile;
-
-        settings.beginGroup("snapshot");
-        int aa    = settings.value("antialias", 0).toInt() + 1;
-        int xsize = settings.value("xsize", 800).toInt() * aa;
-        int ysize = settings.value("ysize", 800).toInt() * aa;
-
-        dumpcmd += blank + settings.value("color", "type").toString();
-        dumpcmd += blank + settings.value("diameter", "type").toString();
-        dumpcmd += QString(" size ") + QString::number(xsize) + blank + QString::number(ysize);
-        dumpcmd += QString(" zoom ") + settings.value("zoom", "1.0").toString();
-        if (settings.value("ssao", false).toBool()) dumpcmd += QString(" ssao yes 453983 0.6");
-        settings.endGroup();
-
-        dirstatus->setText(" Rendering Snapshot Image... ");
-        status->repaint();
-        lammps.command(dumpcmd.toLocal8Bit());
-        dirstatus->setText(QString(" Directory: ") + current_dir);
-        status->repaint();
-
-        imagewindow = new ImageViewer(dumpfile, &lammps);
-        QFile::remove(dumpfile);
+        imagewindow = new ImageViewer(current_file, &lammps);
     } else {
         QMessageBox::warning(this, "ImageViewer Error",
                              "Cannot create snapshot image while LAMMPS is running");

tools/lammps-gui/lammpswrapper.cpp

@@ -45,6 +45,33 @@ int LammpsWrapper::extract_setting(const char *keyword)
     return val;
 }
 
+int LammpsWrapper::id_count(const char *keyword)
+{
+    int val = 0;
+    if (lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        val = ((liblammpsplugin_t *)plugin_handle)->id_count(lammps_handle, keyword);
+#else
+        val           = lammps_id_count(lammps_handle, keyword);
+#endif
+    }
+    return val;
+}
+
+int LammpsWrapper::id_name(const char *keyword, int idx, char *buf, int buflen)
+{
+    int val = 0;
+    if (lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        val =
+            ((liblammpsplugin_t *)plugin_handle)->id_name(lammps_handle, keyword, idx, buf, buflen);
+#else
+        val           = lammps_id_name(lammps_handle, keyword, idx, buf, buflen);
+#endif
+    }
+    return val;
+}
+
 double LammpsWrapper::get_thermo(const char *keyword)
 {
     double val = 0.0;

tools/lammps-gui/lammpswrapper.h

@@ -29,6 +29,9 @@ public:
     void force_timeout();
 
     int extract_setting(const char *keyword);
+    int id_count(const char *idtype);
+    int id_name(const char *idtype, int idx, char *buf, int buflen);
+
     double get_thermo(const char *keyword);
     void *last_thermo(const char *keyword, int idx);
     bool is_open() const { return lammps_handle != nullptr; }