add test

src/aiidalab_qe/app/configuration/__init__.py

@@ -148,10 +148,9 @@ def confirm(self, _=None):
         self.state = self.State.SUCCESS
         self.is_confirmed = True
 
-    def has_unsaved_changes(self):
-        """Check if the current configuration is unsaved."""
+    def has_unconfirmed_changes(self):
+        """Check if the current step has unconfirmed changes"""
         new_parameters = self.get_configuration_parameters()
-        print(new_parameters)
         return new_parameters != self.configuration_parameters
 
     @tl.default("state")

src/aiidalab_qe/app/main.py

@@ -5,6 +5,7 @@
 """
 
 import ipywidgets as ipw
+import traitlets as tl
 from aiida.orm import load_node
 from aiidalab_widgets_base import WizardAppWidget, WizardAppWidgetStep
 
@@ -18,13 +19,15 @@
 class App(ipw.VBox):
     """The main widget that combines all the application steps together."""
 
+    _submission_blockers = tl.List(tl.Unicode())
+
     def __init__(self, qe_auto_setup=True):
         # Create the application steps
         self.structure_step = StructureSelectionStep(auto_advance=True)
         self.structure_step.observe(self._observe_structure_selection, "structure")
         self.configure_step = ConfigureQeAppWorkChainStep(auto_advance=True)
         self.submit_step = SubmitQeAppWorkChainStep(
-            auto_advance=True, qe_auto_setup=qe_auto_setup
+            auto_advance=True, qe_auto_setup=qe_auto_setup, parent=self
         )
         self.results_step = ViewQeAppWorkChainStatusAndResultsStep()
 
@@ -66,6 +69,7 @@ def __init__(self, qe_auto_setup=True):
             ]
         )
         self._wizard_app_widget.observe(self._observe_selected_index, "selected_index")
+        self.observe(self._observe_submission_blockers, "_submission_blockers")
 
         # Add process selection header
         self.work_chain_selector = QeAppWorkChainSelector(
@@ -90,26 +94,32 @@ def __init__(self, qe_auto_setup=True):
     def steps(self):
         return self._wizard_app_widget.steps
 
-    # Check unsaved change in the step when leaving the step.
+    # Check unconfirmed change in the step when leaving the step.
     def _observe_selected_index(self, change):
         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 unsaved changes
+            # if not, we don't need to check the unconfirmed changes
             previous_step = self.steps[change["old"]][1]
             if getattr(previous_step, "is_confirmed", False) is False:
                 return
             # check if the step is changed
-            if previous_step.has_unsaved_changes():
-                # update the blocker message of the submit step
-                blockers = [
-                    f"Unsaved changes in the step: {self.steps[change['old']][0]}"
-                ]
+            if previous_step.has_unconfirmed_changes():
                 # reset the state of the step
                 previous_step.state = WizardAppWidgetStep.State.CONFIGURED
-                # udpate the blocker message of the submit step
-                self.steps[2][1]._submission_blockers = blockers
+                # update the blocker message, this will trigger the observer
+                # to update the blocker message of the submit step
+                self._submission_blockers = [
+                    f"There are unconfirmed changes in the Step {change['old']+1}: {self.steps[change['old']][0]}"
+                ]
+
+    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()
+            )
 
     # Reset all subsequent steps in case that a new structure is selected
     def _observe_structure_selection(self, change):

src/aiidalab_qe/app/structure/__init__.py

@@ -164,8 +164,8 @@ def confirm(self, _=None):
         self.message_area.value = ""
         self.is_confirmed = True
 
-    def has_unsaved_changes(self):
-        """Check if the current structure is unsaved."""
+    def has_unconfirmed_changes(self):
+        """Check if the current structure is unconfirmed."""
         return self.confirmed_structure != self.structure
 
     def can_reset(self):

src/aiidalab_qe/app/submission/__init__.py

@@ -62,7 +62,8 @@ class SubmitQeAppWorkChainStep(ipw.VBox, WizardAppWidgetStep):
     input_parameters = tl.Dict()
     _submission_blockers = tl.List(tl.Unicode())
 
-    def __init__(self, qe_auto_setup=True, **kwargs):
+    def __init__(self, qe_auto_setup=True, parent=None, **kwargs):
+        self.parent = parent
         self.message_area = ipw.Output()
         self._submission_blocker_messages = ipw.HTML()
 
@@ -150,6 +151,9 @@ def _observe_submission_blockers(self, change):
             self._submission_blocker_messages.value = ""
 
     def _identify_submission_blockers(self):
+        # blocker messages from the app
+        for msg in self.parent._submission_blockers:
+            yield msg
         # Do not submit while any of the background setup processes are running.
         if self.qe_setup_status.busy or self.sssp_installation_status.busy:
             yield "Background setup processes must finish."

tests/test_app.py

@@ -33,3 +33,21 @@ def test_reload_and_reset(submit_app_generator, generate_qeapp_workchain):
         == 0
     )
     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"""
+    from aiidalab_widgets_base import WizardAppWidgetStep
+
+    app = app_to_submit
+    # the number of blocker
+    n = len(app.submit_step._submission_blockers)
+    # go to the configue step, and make some changes
+    app._wizard_app_widget.selected_index = 1
+    app.configure_step.workchain_settings.relax_type.value = "positions"
+    # go to the submit step
+    app._wizard_app_widget.selected_index = 2
+    # the state of the configue step should be updated.
+    assert app.configure_step.state == WizardAppWidgetStep.State.CONFIGURED
+    # check if a new blocker is added
+    assert len(app.submit_step._submission_blockers) == n + 1