App crashes when clicking "Optimize Geometry" without any atom (#1661)

* Add a check to prevent a crash when no atoms are found Signed-off-by: Perminder Singh <[email protected]> --------- Signed-off-by: Perminder <[email protected]> Signed-off-by: Perminder Singh <[email protected]>
OpenChemistry · Jun 26, 2024 · e3be193 · e3be193
1 parent 8055bbb
commit e3be193
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/avogadro/qtplugins/forcefield/forcefield.cpp b/avogadro/qtplugins/forcefield/forcefield.cpp
@@ -241,6 +241,12 @@ void Forcefield::optimize()
   if (m_molecule == nullptr || m_method == nullptr)
     return;
 
+  if (!m_molecule->atomCount()) {
+    QMessageBox::information(nullptr, tr("Avogadro"),
+                             tr("No atoms provided for optimization"));
+    return;
+  }
+
   // merge all coordinate updates into one step for undo
   bool isInteractive = m_molecule->undoMolecule()->isInteractive();
   m_molecule->undoMolecule()->setInteractive(true);