update the blocker message when entering submit step

src/aiidalab_qe/app/configuration/__init__.py

@@ -148,10 +148,12 @@ def confirm(self, _=None):
         self.state = self.State.SUCCESS
         self.is_confirmed = True
 
-    def has_unconfirmed_changes(self):
-        """Check if the current step has unconfirmed changes"""
+    def is_saved(self):
+        """Check if the current step is saved.
+        That all changes are confirmed.
+        """
         new_parameters = self.get_configuration_parameters()
-        return new_parameters != self.configuration_parameters
+        return new_parameters == self.configuration_parameters
 
     @tl.default("state")
     def _default_state(self):

src/aiidalab_qe/app/main.py

@@ -55,7 +55,7 @@ def __init__(self, qe_auto_setup=True):
         )
         ipw.dlink(
             (self, "_submission_blockers"),
-            (self.submit_step, "_app_submission_blockers"),
+            (self.submit_step, "_outside_submission_blockers"),
         )
 
         ipw.dlink(
@@ -73,6 +73,10 @@ def __init__(self, qe_auto_setup=True):
                 ("Status & Results", self.results_step),
             ]
         )
+        # init the blocker messages
+        self._submission_blockers = {
+            i: [] for i in range(len(self._wizard_app_widget.steps))
+        }
         self._wizard_app_widget.observe(self._observe_selected_index, "selected_index")
 
         # Add process selection header
@@ -99,38 +103,28 @@ def steps(self):
         return self._wizard_app_widget.steps
 
     def _observe_selected_index(self, change):
-        """Check unconfirmed change in the step when leaving the step."""
+        """Check unsaved change in the step when leaving the step."""
         with self.submit_step.hold_sync():
-            if change["old"] is None:
-                return
-            # check if the step is confirmed before
-            # if not, we don't need to check the unconfirmed changes
-            old_idx_step = self.steps[change["old"]][1]
-            if not getattr(old_idx_step, "is_confirmed", False):
+            if change["new"] is None:
                 return
+            new_idx = change["new"]
+            # if entering the submit step, udpate the blocker messages
             blockers = self._submission_blockers.copy()
-            # check if the step is changed
-            if old_idx_step.has_unconfirmed_changes():
-                # reset the state of the step
-                old_idx_step.state = WizardAppWidgetStep.State.CONFIGURED
-                # update the blocker message, this will trigger the observer
-                # to update the blocker message of the submit step
-                blockers[change["old"]] = [
-                    f"There are unconfirmed changes in the Step {change['old']+1}: {self.steps[change['old']][0]}"
-                ]
+            if new_idx == 2:
+                # check the structure step is saved
+                for i in range(2):
+                    # check if the step is saved
+                    if not self.steps[i][1].is_saved():
+                        self.steps[i][1].state = WizardAppWidgetStep.State.CONFIGURED
+                        blockers[i] = [
+                            f"There are unsaved changes in the Step {i+1}: {self.steps[i][0]}"
+                        ]
+                        # update the blocker message, this will trigger the observer
+                        # to update the blocker message of the submit step
+                    else:
+                        # remove the blocker message if the step has all changes confirmed
+                        blockers[i] = []
                 self._submission_blockers = blockers
-            else:
-                # remove the blocker message if the step has all changes confirmed
-                if blockers[change["old"]] != []:
-                    blockers[change["old"]] = []
-                    self._submission_blockers = blockers
-
-    def _observe_submission_blockers(self, change):
-        if change["new"]:
-            # udpate the blocker message of the submit step
-            self.submit_step._submission_blockers = list(
-                self.submit_step._identify_submission_blockers()
-            )
 
     def _observe_process_selection(self, change):
         from aiida.orm.utils.serialize import deserialize_unsafe

src/aiidalab_qe/app/structure/__init__.py

@@ -164,9 +164,10 @@ def confirm(self, _=None):
         self.message_area.value = ""
         self.is_confirmed = True
 
-    def has_unconfirmed_changes(self):
-        """Check if the current structure is unconfirmed."""
-        return self.confirmed_structure != self.structure
+    def is_saved(self):
+        """Check if the current structure is saved.
+        That all changes are confirmed."""
+        return self.confirmed_structure == self.structure
 
     def can_reset(self):
         return self.confirmed_structure is not None

src/aiidalab_qe/app/submission/__init__.py

@@ -61,7 +61,7 @@ class SubmitQeAppWorkChainStep(ipw.VBox, WizardAppWidgetStep):
     previous_step_state = tl.UseEnum(WizardAppWidgetStep.State)
     input_parameters = tl.Dict()
     _submission_blockers = tl.List(tl.Unicode())
-    _app_submission_blockers = tl.Dict()
+    _outside_submission_blockers = tl.Dict()
 
     def __init__(self, qe_auto_setup=True, **kwargs):
         self.message_area = ipw.Output()
@@ -139,13 +139,15 @@ def __init__(self, qe_auto_setup=True, **kwargs):
             ]
         )
 
-    @tl.observe("_app_submission_blockers")
-    def _observe_app_submission_blockers(self, change):
-        """Observe the submission blockers from the app."""
+    @tl.observe("_outside_submission_blockers")
+    def _observe_outside_submission_blockers(self, _=None):
+        """Observe the submission blockers from the app, and update the
+        submission blockers of the submit step."""
         self._submission_blockers = list(self._identify_submission_blockers())
 
     @tl.observe("_submission_blockers")
     def _observe_submission_blockers(self, change):
+        """Observe the submission blockers and update the message area."""
         if change["new"]:
             fmt_list = "\n".join((f"<li>{item}</li>" for item in sorted(change["new"])))
             self._submission_blocker_messages.value = f"""
@@ -156,8 +158,11 @@ def _observe_submission_blockers(self, change):
             self._submission_blocker_messages.value = ""
 
     def _identify_submission_blockers(self):
+        """Identify the blockers for the submission.
+        Include the blockers from the app and the blockers from the submit step itself.
+        """
         # blocker messages from the app
-        for msgs in self._app_submission_blockers.values():
+        for msgs in self._outside_submission_blockers.values():
             for msg in msgs:
                 yield msg
         # Do not submit while any of the background setup processes are running.

tests/test_app.py

@@ -35,8 +35,8 @@ def test_reload_and_reset(submit_app_generator, generate_qeapp_workchain):
     assert app.submit_step.resources_config.num_cpus.value == 1
 
 
-def test_unconfirmed_changes(app_to_submit):
-    """Test if the unconfirmed changes are handled correctly"""
+def test_unsaved_changes(app_to_submit):
+    """Test if the unsaved changes are handled correctly"""
     from aiidalab_widgets_base import WizardAppWidgetStep
 
     app = app_to_submit