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make vdwfactor consistent and speed up rendering for VDW mode by skipping bonds

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This commit is contained in:
Axel Kohlmeyer
2023-08-20 00:09:41 -04:00
parent 770ad34267
commit b1b94980fa
2 changed files with 9 additions and 5 deletions
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2
tools/lammps-gui/CMakeLists.txt
View File

@ -1,6 +1,6 @@
cmake_minimum_required(VERSION 3.16) cmake_minimum_required(VERSION 3.16)
project(lammps-gui VERSION 1.2.3 LANGUAGES CXX) project(lammps-gui VERSION 1.2.4 LANGUAGES CXX)
set(CMAKE_AUTOUIC ON) set(CMAKE_AUTOUIC ON)
set(CMAKE_AUTOMOC ON) set(CMAKE_AUTOMOC ON)

12
tools/lammps-gui/imageviewer.cpp
View File

@ -78,7 +78,7 @@ ImageViewer::ImageViewer(const QString &fileName, LammpsWrapper *_lammps, QWidge
QSettings settings; QSettings settings;
vdwfactor = 0.4; vdwfactor = 0.5;
auto pix = QPixmap(":/emblem-photos.png"); auto pix = QPixmap(":/emblem-photos.png");
auto *renderstatus = new QLabel(QString()); auto *renderstatus = new QLabel(QString());
@ -278,7 +278,7 @@ void ImageViewer::toggle_vdw()
{ {
QPushButton *button = qobject_cast<QPushButton *>(sender()); QPushButton *button = qobject_cast<QPushButton *>(sender());
if (vdwfactor > 1.0) if (vdwfactor > 1.0)
vdwfactor = 0.4; vdwfactor = 0.5;
else else
vdwfactor = 1.6; vdwfactor = 1.6;
button->setChecked(vdwfactor > 1.0); button->setChecked(vdwfactor > 1.0);
@ -391,8 +391,12 @@ void ImageViewer::createImage()
dumpcmd += QString(" size ") + QString::number(tmpxsize) + blank + QString::number(tmpysize); dumpcmd += QString(" size ") + QString::number(tmpxsize) + blank + QString::number(tmpysize);
dumpcmd += QString(" zoom ") + QString::number(zoom); dumpcmd += QString(" zoom ") + QString::number(zoom);
dumpcmd += " shiny 0.5 "; dumpcmd += " shiny 0.5 ";
if (nbondtypes > 0) dumpcmd += " bond atom 0.4 "; if (nbondtypes > 0) {
if (vdwfactor > 1.0)
dumpcmd += " bond none none ";
else
dumpcmd += " bond atom 0.5 ";
}
if (lammps->extract_setting("dimension") == 3) { if (lammps->extract_setting("dimension") == 3) {
dumpcmd += QString(" view ") + QString::number(hhrot) + blank + QString::number(vrot); dumpcmd += QString(" view ") + QString::number(hhrot) + blank + QString::number(vrot);
} }