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add button to recenter the image on the currently selected group's COM

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This commit is contained in:
Axel Kohlmeyer
2024-07-29 00:06:38 -04:00
parent aa3c287999
commit 15c2c59d0c
4 changed files with 28 additions and 0 deletions
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tools/lammps-gui/icons/move-recenter.png Normal file
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25
tools/lammps-gui/imageviewer.cpp
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@ -152,6 +152,7 @@ ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidge
vdwfactor = 0.5;
auto pix = QPixmap(":/icons/emblem-photos.png");
xcenter = ycenter = zcenter = 0.5;
auto *renderstatus = new QLabel(QString());
renderstatus->setPixmap(pix.scaled(22, 22, Qt::KeepAspectRatio));
@ -211,6 +212,8 @@ ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidge
rotup->setToolTip("Rotate up by 15 degrees");
auto *rotdown = new QPushButton(QIcon(":/icons/gtk-go-down.png"), "");
rotdown->setToolTip("Rotate down by 15 degrees");
auto *recenter = new QPushButton(QIcon(":/icons/move-recenter.png"), "");
recenter->setToolTip("Recenter on group");
auto *reset = new QPushButton(QIcon(":/icons/gtk-zoom-fit.png"), "");
reset->setToolTip("Reset view to defaults");
auto *combo = new QComboBox;
@ -245,6 +248,7 @@ ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidge
menuLayout->addWidget(rotright);
menuLayout->addWidget(rotup);
menuLayout->addWidget(rotdown);
menuLayout->addWidget(recenter);
menuLayout->addWidget(reset);
menuLayout->addWidget(new QLabel(" Group: "));
menuLayout->addWidget(combo);
@ -260,6 +264,7 @@ ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidge
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(recenter, &QPushButton::released, this, &ImageViewer::do_recenter);
connect(reset, &QPushButton::released, this, &ImageViewer::reset_view);
connect(combo, SIGNAL(currentIndexChanged(int)), this, SLOT(change_group(int)));
@ -301,6 +306,7 @@ void ImageViewer::reset_view()
showaxes = settings.value("axes", false).toBool();
usessao = settings.value("ssao", false).toBool();
antialias = settings.value("antialias", false).toBool();
xcenter = ycenter = zcenter = 0.5;
settings.endGroup();
// reset state of checkable push buttons and combo box (if accessible)
@ -421,6 +427,24 @@ void ImageViewer::do_rot_up()
createImage();
}
void ImageViewer::do_recenter()
{
QString commands = QString("variable LAMMPSGUI_CX delete\n"
"variable LAMMPSGUI_CY delete\n"
"variable LAMMPSGUI_CZ delete\n"
"variable LAMMPSGUI_CX equal (xcm(%1,x)-xlo)/lx\n"
"variable LAMMPSGUI_CY equal (xcm(%1,y)-ylo)/ly\n"
"variable LAMMPSGUI_CZ equal (xcm(%1,z)-zlo)/lz\n").arg(group);
lammps->commands_string(commands.toLocal8Bit());
xcenter = lammps->extract_variable("LAMMPSGUI_CX");
ycenter = lammps->extract_variable("LAMMPSGUI_CZ");
zcenter = lammps->extract_variable("LAMMPSGUI_CZ");
lammps->commands_string("variable LAMMPSGUI_CX delete\n"
"variable LAMMPSGUI_CY delete\n"
"variable LAMMPSGUI_CZ delete\n");
createImage();
}
void ImageViewer::cmd_to_clipboard()
{
auto words = last_dump_cmd.split(" ");
@ -534,6 +558,7 @@ void ImageViewer::createImage()
else
dumpcmd += " axes no 0.0 0.0";
dumpcmd += QString(" center s %1 %2 %3").arg(xcenter).arg(ycenter).arg(zcenter);
dumpcmd += " modify boxcolor " + settings.value("boxcolor", "yellow").toString();
dumpcmd += " backcolor " + settings.value("background", "black").toString();
if (useelements) dumpcmd += blank + elements + blank + adiams + blank;

2
tools/lammps-gui/imageviewer.h
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@ -55,6 +55,7 @@ private slots:
void do_rot_right();
void do_rot_up();
void do_rot_down();
void do_recenter();
void cmd_to_clipboard();
void change_group(int);
@ -90,6 +91,7 @@ private:
int xsize, ysize;
int hrot, vrot;
double zoom, vdwfactor;
double xcenter, ycenter, zcenter;
bool showbox, showaxes, antialias, usessao, useelements, usediameter, usesigma;
};
#endif

1
tools/lammps-gui/lammpsgui.qrc
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@ -45,6 +45,7 @@
<file>icons/image-x-generic.png</file>
<file>icons/media-playback-start-2.png</file>
<file>icons/media-playlist-repeat.png</file>
<file>icons/move-recenter.png</file>
<file>icons/object-rotate-left.png</file>
<file>icons/object-rotate-right.png</file>
<file>icons/ovito.png</file>