Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Make sure to automatically load the "Meshes" display type #1508

Merged
merged 3 commits into from
Dec 6, 2023
Merged

Make sure to automatically load the "Meshes" display type #1508

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
548ac3c
Make sure to automatically load the "Meshes" display type
ghutchis Dec 6, 2023
fab7265
Only compute one mesh for VdW, etc. and enable mesh at the end
ghutchis Dec 6, 2023
0bdf8c4
Turn down the default smoothing level for speed
ghutchis Dec 6, 2023
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
7 changes: 2 additions & 5 deletions avogadro/qtplugins/surfaces/surfacedialog.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -120,10 +120,6 @@ void SurfaceDialog::smoothingComboChanged(int n)
m_ui->smoothingPassesSpinBox->setValue(0);
m_ui->smoothingPassesSpinBox->setEnabled(false);
break;
case 1: // Light smoothing
m_ui->smoothingPassesSpinBox->setValue(1);
m_ui->smoothingPassesSpinBox->setEnabled(false);
break;
case 2: // Medium smoothing
m_ui->smoothingPassesSpinBox->setValue(5);
m_ui->smoothingPassesSpinBox->setEnabled(false);
Expand All @@ -136,8 +132,9 @@ void SurfaceDialog::smoothingComboChanged(int n)
m_ui->smoothingPassesSpinBox->setValue(5);
m_ui->smoothingPassesSpinBox->setEnabled(true);
break;
case 1: // Light smoothing
default:
m_ui->smoothingPassesSpinBox->setValue(5);
m_ui->smoothingPassesSpinBox->setValue(1);
m_ui->smoothingPassesSpinBox->setEnabled(false);
break;
}
Expand Down
6 changes: 3 additions & 3 deletions avogadro/qtplugins/surfaces/surfacedialog.ui
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -360,10 +360,10 @@
<bool>true</bool>
</property>
<property name="currentText">
<string>Medium</string>
<string>Light</string>
</property>
<property name="currentIndex">
<number>2</number>
<number>1</number>
</property>
<item>
<property name="text">
Expand Down Expand Up @@ -407,7 +407,7 @@
<number>1</number>
</property>
<property name="value">
<number>5</number>
<number>1</number>
</property>
</widget>
</item>
Expand Down
45 changes: 28 additions & 17 deletions avogadro/qtplugins/surfaces/surfaces.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -65,6 +65,7 @@ using namespace tinycolormap;
namespace Avogadro::QtPlugins {

using Core::Array;
using Core::Cube;
using Core::GaussianSet;
using Core::NeighborPerceiver;
using QtGui::Molecule;
Expand Down Expand Up @@ -707,29 +708,36 @@ void Surfaces::displayMesh()
}
m_meshGenerator1->initialize(m_cube, m_mesh1, -m_isoValue, m_smoothingPasses);

// TODO - only do this if we're generating an orbital
// and we need two meshes
// How do we know? - likely ask the cube if it's an MO?
qDebug() << "Cube " << m_cube->name().c_str() << " type "
<< m_cube->cubeType();
bool isMO = false;
// if it's from a file we should "play it safe"
if (m_cube->cubeType() == Cube::Type::MO ||
m_cube->cubeType() == Cube::Type::FromFile) {
isMO = true;
}

if (!m_mesh2)
m_mesh2 = m_molecule->addMesh();
if (!m_meshGenerator2) {
m_meshGenerator2 = new QtGui::MeshGenerator;
connect(m_meshGenerator2, SIGNAL(finished()), SLOT(meshFinished()));
if (isMO) {
if (!m_mesh2)
m_mesh2 = m_molecule->addMesh();
if (!m_meshGenerator2) {
m_meshGenerator2 = new QtGui::MeshGenerator;
connect(m_meshGenerator2, SIGNAL(finished()), SLOT(meshFinished()));
}
m_meshGenerator2->initialize(m_cube, m_mesh2, m_isoValue, m_smoothingPasses,
true);
}
m_meshGenerator2->initialize(m_cube, m_mesh2, m_isoValue, m_smoothingPasses,
true);

// Start the mesh generation - this needs an improved mutex with a read lock
// to function as expected. Write locks are exclusive, read locks can have
// many read locks but no write lock.
m_meshGenerator1->start();
m_meshGenerator2->start();
if (isMO)
m_meshGenerator2->start();

// Track how many meshes are left to show.
m_meshesLeft = 2;
if (isMO)
m_meshesLeft = 2;
else
m_meshesLeft = 1;
}

Core::Color3f Surfaces::chargeGradient(double value, double clamp,
Expand Down Expand Up @@ -825,6 +833,12 @@ void Surfaces::meshFinished()
--m_meshesLeft;
if (m_meshesLeft == 0) {
colorMesh();

// finished, so request to enable the mesh display type
QStringList displayTypes;
displayTypes << tr("Meshes");
requestActiveDisplayTypes(displayTypes);

if (m_recordingMovie) {
// Move to the next frame.
qDebug() << "Let's get to the next frame…";
Expand All @@ -834,12 +848,9 @@ void Surfaces::meshFinished()
if (m_dialog != nullptr)
m_dialog->reenableCalculateButton();

qDebug() << " mesh finished";

m_molecule->emitChanged(QtGui::Molecule::Added);
}
}
// TODO: enable the mesh display type
}

void Surfaces::recordMovie()
Expand Down
Loading