Check to make sure current calculation index is valid

Signed-off-by: Geoff Hutchison <[email protected]>
ghutchis · Dec 26, 2024 · 1a1cdfa · 1a1cdfa · github-actions · Dec 26, 2024
1 parent d74091b
commit 1a1cdfa
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Showing 2 changed files with 18 additions and 2 deletions.
diff --git a/avogadro/qtplugins/surfaces/orbitals.cpp b/avogadro/qtplugins/surfaces/orbitals.cpp
@@ -291,6 +291,9 @@ void Orbitals::startCalculation(unsigned int queueIndex)
 
 void Orbitals::calculateCube()
 {
+  if (m_currentRunningCalculation == -1)
+    return;
+
   calcInfo* info = &m_queue[m_currentRunningCalculation];
 
   info->state = Running;
@@ -341,8 +344,6 @@ void Orbitals::calculateCube()
 
 void Orbitals::calculateCubeDone()
 {
-  calcInfo* info = &m_queue[m_currentRunningCalculation];
-
   auto* watcher = &m_gaussianConcurrent->watcher();
   watcher->disconnect(this);
 
@@ -354,6 +355,9 @@ void Orbitals::calculateCubeDone()
 
 void Orbitals::calculatePosMesh()
 {
+  if (m_currentRunningCalculation == -1)
+    return;
+
   calcInfo* info = &m_queue[m_currentRunningCalculation];
 
   info->state = Running;
@@ -377,6 +381,9 @@ void Orbitals::calculatePosMeshDone()
 
 void Orbitals::calculateNegMesh()
 {
+  if (m_currentRunningCalculation == -1)
+    return;
+
   calcInfo* info = &m_queue[m_currentRunningCalculation];
 
   info->state = Running;
@@ -407,6 +414,9 @@ void Orbitals::calculateNegMeshDone()
 
 void Orbitals::calculationComplete()
 {
+  if (m_currentRunningCalculation == -1)
+    return;
+
   calcInfo* info = &m_queue[m_currentRunningCalculation];
 
   m_dialog->calculationComplete(info->orbital);
@@ -465,6 +475,9 @@ void Orbitals::renderOrbital(unsigned int row)
 
 void Orbitals::updateProgress(int current)
 {
+  if (m_currentRunningCalculation == -1)
+    return;
+
   calcInfo* info = &m_queue[m_currentRunningCalculation];
   int orbital = info->orbital;
   m_dialog->updateProgress(orbital, current);

diff --git a/avogadro/qtplugins/surfaces/orbitaltablemodel.cpp b/avogadro/qtplugins/surfaces/orbitaltablemodel.cpp
@@ -63,6 +63,9 @@ QVariant OrbitalTableModel::data(const QModelIndex& index, int role) const
       int stages = (orb->totalStages == 0) ? 1 : orb->totalStages;
       percent /= float(stages);
       percent += (orb->stage - 1) * (100.0 / float(stages));
+      // clamp to 100%
+      if (percent > 100)
+        percent = 100;
       return QString("%L1 %").arg(percent);
     }
     case C_Symmetry: