reset structure

src/aiidalab_qe/app/configuration/__init__.py

@@ -144,6 +144,7 @@ def _default_state(self):
         return self.State.INIT
 
     def reset(self):
+        """Reset the widgets in all settings to their initial states."""
         with self.hold_trait_notifications():
             for _, settings in self.settings.items():
                 settings.reset()

src/aiidalab_qe/app/main.py

@@ -134,6 +134,7 @@ def _observe_process_selection(self, change):
         if pk is None:
             self._wizard_app_widget.reset()
             self._wizard_app_widget.selected_index = 0
+            self.structure_step.reset()
             self.configure_step.reset()
             self.submit_step.reset()
         else:

src/aiidalab_qe/app/structure/__init__.py

@@ -124,4 +124,6 @@ def can_reset(self):
         return self.confirmed_structure is not None
 
     def reset(self):  # unconfirm
+        """Reset the widget to its initial state."""
         self.confirmed_structure = None
+        self.manager.structure = None

src/aiidalab_qe/app/submission/__init__.py

@@ -483,6 +483,9 @@ def get_submission_parameters(self):
         }
 
     def reset(self):
+        """Reset the widget to its initial state."""
         with self.hold_trait_notifications():
             self.process = None
             self.input_structure = None
+            self.set_selected_codes(DEFAULT_PARAMETERS["codes"])
+            self.set_resource_defaults()