Merge pull request #1508 from ghutchis/auto-load-mesh-for-surfaces

Make sure to automatically load the "Meshes" display type
OpenChemistry · Dec 6, 2023 · d1f1560 · d1f1560
2 parents 3931456 + 0bdf8c4
commit d1f1560
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Showing 3 changed files with 33 additions and 25 deletions.
diff --git a/avogadro/qtplugins/surfaces/surfacedialog.cpp b/avogadro/qtplugins/surfaces/surfacedialog.cpp
@@ -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);
@@ -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;
   }

diff --git a/avogadro/qtplugins/surfaces/surfacedialog.ui b/avogadro/qtplugins/surfaces/surfacedialog.ui
@@ -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">
@@ -407,7 +407,7 @@
           <number>1</number>
          </property>
          <property name="value">
-          <number>5</number>
+          <number>1</number>
          </property>
         </widget>
        </item>

diff --git a/avogadro/qtplugins/surfaces/surfaces.cpp b/avogadro/qtplugins/surfaces/surfaces.cpp
@@ -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;
@@ -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,
@@ -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…";
@@ -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()