Replace DependentStep mixin with proper QeWizardStep MVC classes (#…

…1032)

This PR resolves issues with #1004 (incorrect handling of step-to-step switching/rendering) by treating the app steps more uniformly. It also introduces a simple locking mechanism on submission that disconnects all observations of step confirmation, thus rendering the app in a "locked" state by permanently disabling confirm/submit buttons.

src/aiidalab_qe/app/configuration/__init__.py

@@ -11,12 +11,11 @@
 from aiidalab_qe.app.parameters import DEFAULT_PARAMETERS
 from aiidalab_qe.app.utils import get_entry_items
 from aiidalab_qe.common.infobox import InAppGuide
-from aiidalab_qe.common.mixins import DependentStep
 from aiidalab_qe.common.panel import (
     ConfigurationSettingsModel,
     ConfigurationSettingsPanel,
 )
-from aiidalab_widgets_base import WizardAppWidgetStep
+from aiidalab_qe.common.widgets import QeDependentWizardStep
 
 from .advanced import (
     AdvancedConfigurationSettingsModel,
@@ -28,24 +27,11 @@
 DEFAULT: dict = DEFAULT_PARAMETERS  # type: ignore
 
 
-class ConfigureQeAppWorkChainStep(
-    ipw.VBox,
-    WizardAppWidgetStep,
-    DependentStep,
-):
+class ConfigureQeAppWorkChainStep(QeDependentWizardStep[ConfigurationStepModel]):
     missing_information_warning = "Missing input structure. Please set it first."
 
-    previous_step_state = tl.UseEnum(WizardAppWidgetStep.State)
-
     def __init__(self, model: ConfigurationStepModel, **kwargs):
-        from aiidalab_qe.common.widgets import LoadingWidget
-
-        super().__init__(
-            children=[LoadingWidget("Loading workflow configuration step")],
-            **kwargs,
-        )
-
-        self._model = model
+        super().__init__(model=model, **kwargs)
         self._model.observe(
             self._on_confirmation_change,
             "confirmed",
@@ -55,21 +41,6 @@ def __init__(self, model: ConfigurationStepModel, **kwargs):
             "input_structure",
         )
 
-        self.rendered = False
-
-        self.structure_set_message = ipw.HTML()
-        ipw.dlink(
-            (self._model, "input_structure"),
-            (self.structure_set_message, "value"),
-            lambda structure: ""
-            if structure
-            else """
-                <div class="alert alert-danger">
-                    <b>Please set the input structure first.</b>
-                </div>
-            """,
-        )
-
         workchain_model = BasicConfigurationSettingsModel()
         self.workchain_settings = BasicConfigurationSettingsPanel(model=workchain_model)
         self._model.add_model("workchain", workchain_model)
@@ -89,10 +60,7 @@ def __init__(self, model: ConfigurationStepModel, **kwargs):
 
         self._fetch_plugin_calculation_settings()
 
-    def render(self):
-        if self.rendered:
-            return
-
+    def _render(self):
         # RelaxType: degrees of freedom in geometry optimization
         self.relax_type_help = ipw.HTML()
         ipw.dlink(
@@ -156,7 +124,6 @@ def render(self):
 
         self.children = [
             InAppGuide(identifier="configuration-step"),
-            self.structure_set_message,
             ipw.HTML("""
                 <div style="padding-top: 0px; padding-bottom: 0px">
                     <h4>Structure relaxation</h4>
@@ -168,20 +135,9 @@ def render(self):
             self.confirm_button,
         ]
 
-        self.rendered = True
-
+    def _post_render(self):
         self._update_tabs()
 
-        if self._model.confirmed:  # loaded from a process
-            return
-
-        # NOTE technically not necessary, as an update is triggered
-        # by a structure change. However, this ensures that if a user
-        # decides to visit this step prior to setting the structure,
-        # the step will be updated on render to show reasonable defaults.
-        # TODO remove if we decide to "disable" steps past unconfirmed steps!
-        self._model.update()
-
     def is_saved(self):
         return self._model.confirmed
 

src/aiidalab_qe/app/configuration/model.py

@@ -10,20 +10,22 @@
     HasInputStructure,
     HasModels,
 )
-from aiidalab_qe.common.mvc import Model
 from aiidalab_qe.common.panel import ConfigurationSettingsModel
+from aiidalab_qe.common.widgets import QeWizardStepModel
 
 DEFAULT: dict = DEFAULT_PARAMETERS  # type: ignore
 
 NO_RELAXATION_OPTION = ("Structure as is", "none")
 
 
 class ConfigurationStepModel(
-    Model,
+    QeWizardStepModel,
     HasModels[ConfigurationSettingsModel],
     HasInputStructure,
     Confirmable,
 ):
+    identifier = "configuration"
+
     relax_type_help = tl.Unicode()
     relax_type_options = tl.List([NO_RELAXATION_OPTION])
     relax_type = tl.Unicode(NO_RELAXATION_OPTION[-1], allow_none=True)

src/aiidalab_qe/app/main.py

@@ -18,8 +18,7 @@
 from aiidalab_qe.app.submission import SubmitQeAppWorkChainStep
 from aiidalab_qe.app.submission.model import SubmissionStepModel
 from aiidalab_qe.common.infobox import InAppGuide
-from aiidalab_qe.common.mixins import DependentStep
-from aiidalab_qe.common.widgets import LoadingWidget
+from aiidalab_qe.common.widgets import LoadingWidget, QeWizardStep
 from aiidalab_widgets_base import WizardAppWidget
 
 
@@ -75,10 +74,9 @@ def __init__(self, qe_auto_setup=True):
             (self.submit_step, "state"),
             (self.results_step, "previous_step_state"),
         )
-        ipw.dlink(
-            (self.submit_model, "process_node"),
-            (self.results_model, "process_uuid"),
-            lambda node: node.uuid if node is not None else None,
+        self.submit_model.observe(
+            self._on_submission,
+            "confirmed",
         )
 
         # Add the application steps to the application
@@ -139,20 +137,13 @@ def _on_configuration_confirmation_change(self, _):
         self._update_submission_step()
         self._update_blockers()
 
+    def _on_submission(self, _):
+        self._update_results_step()
+        self._lock_app()
+
     def _render_step(self, step_index):
-        step = self.steps[step_index][1]
-        if step is self.configure_step and not self.structure_model.confirmed:
-            step.show_missing_information_warning()
-        elif step is self.submit_step and not self.configure_model.confirmed:
-            step.show_missing_information_warning()
-        elif step is self.results_step and not self.submit_model.confirmed:
-            step.show_missing_information_warning()
-        elif isinstance(step, DependentStep):
-            step.hide_missing_information_warning()
-            step.render()
-            step.previous_children = step.children
-        else:
-            step.render()
+        step: QeWizardStep = self.steps[step_index][1]
+        step.render()
 
     def _update_configuration_step(self):
         if self.structure_model.confirmed:
@@ -168,6 +159,21 @@ def _update_submission_step(self):
             self.submit_model.input_structure = None
             self.submit_model.input_parameters = {}
 
+    def _update_results_step(self):
+        ipw.dlink(
+            (self.submit_model, "process_node"),
+            (self.results_model, "process_uuid"),
+            lambda node: node.uuid if node is not None else None,
+        )
+
+    def _lock_app(self):
+        for model in (
+            self.structure_model,
+            self.configure_model,
+            self.submit_model,
+        ):
+            model.unobserve_all("confirmed")
+
     def _update_blockers(self):
         self.submit_model.external_submission_blockers = [
             f"Unsaved changes in the <b>{title}</b> step. Please confirm the changes before submitting."

src/aiidalab_qe/app/result/__init__.py

@@ -3,8 +3,7 @@
 
 from aiida.engine import ProcessState
 from aiidalab_qe.common.infobox import InAppGuide
-from aiidalab_qe.common.mixins import DependentStep
-from aiidalab_qe.common.widgets import LoadingWidget
+from aiidalab_qe.common.widgets import LoadingWidget, QeDependentWizardStep
 from aiidalab_widgets_base import ProcessMonitor, WizardAppWidgetStep
 
 from .components import ResultsComponent
@@ -18,24 +17,13 @@
 PROCESS_RUNNING = "<h4>Workflow is running!</h4>"
 
 
-class ViewQeAppWorkChainStatusAndResultsStep(
-    ipw.VBox,
-    WizardAppWidgetStep,
-    DependentStep,
-):
-    previous_step_state = tl.UseEnum(WizardAppWidgetStep.State)
-
+class ViewQeAppWorkChainStatusAndResultsStep(QeDependentWizardStep[ResultsStepModel]):
     missing_information_warning = (
         "No available results. Did you submit or load a calculation?"
     )
 
     def __init__(self, model: ResultsStepModel, **kwargs):
-        super().__init__(
-            children=[LoadingWidget("Loading results step")],
-            **kwargs,
-        )
-
-        self._model = model
+        super().__init__(model=model, **kwargs)
         self.observe(
             self._on_previous_step_state_change,
             "previous_step_state",
@@ -45,12 +33,7 @@ def __init__(self, model: ResultsStepModel, **kwargs):
             "process_uuid",
         )
 
-        self.rendered = False
-
-    def render(self):
-        if self.rendered:
-            return
-
+    def _render(self):
         self.kill_button = ipw.Button(
             description="Kill workchain",
             tooltip="Kill the below workchain.",
@@ -130,17 +113,8 @@ def render(self):
 
         if self._model.has_process:
             self._update_children()
-        elif self.previous_step_state is not WizardAppWidgetStep.State.SUCCESS:
-            self.children = [
-                ipw.HTML("""
-                    <div class="alert alert-danger" style="text-align: center;">
-                        No process detected. Please submit a calculation.
-                    </div>
-                """),
-            ]
-
-        self.rendered = True
 
+    def _post_render(self):
         self._update_kill_button_layout()
         self._update_clean_scratch_button_layout()
 
@@ -213,6 +187,7 @@ def _update_children(self):
             self.toggle_controls,
             self.container,
         ]
+        self.previous_children = list(self.children)
 
     def _toggle_view(self, panel: ResultsComponent):
         self.container.children = [panel]

src/aiidalab_qe/app/result/model.py

@@ -7,16 +7,18 @@
 from aiida import orm
 from aiida.engine.processes import control
 from aiidalab_qe.common.mixins import HasModels, HasProcess
-from aiidalab_qe.common.mvc import Model
+from aiidalab_qe.common.widgets import QeWizardStepModel
 
 from .components import ResultsComponentModel
 
 
 class ResultsStepModel(
-    Model,
+    QeWizardStepModel,
     HasModels[ResultsComponentModel],
     HasProcess,
 ):
+    identifier = "results"
+
     process_info = tl.Unicode("")
     process_remote_folder_is_clean = tl.Bool(False)
 

src/aiidalab_qe/app/structure/__init__.py

@@ -15,13 +15,12 @@
     LazyLoadedStructureBrowser,
 )
 from aiidalab_qe.common.infobox import InAppGuide
-from aiidalab_qe.common.widgets import CategorizedStructureExamplesWidget
+from aiidalab_qe.common.widgets import CategorizedStructureExamplesWidget, QeWizardStep
 from aiidalab_widgets_base import (
     BasicCellEditor,
     BasicStructureEditor,
     StructureManagerWidget,
     StructureUploadWidget,
-    WizardAppWidgetStep,
 )
 
 # The Examples list of (name, file) tuple curretly passed to
@@ -38,22 +37,15 @@
 ]
 
 
-class StructureSelectionStep(ipw.VBox, WizardAppWidgetStep):
+class StructureSelectionStep(QeWizardStep[StructureStepModel]):
     """Integrated widget for the selection and edition of structure.
     The widget includes a structure manager that allows to select a structure
     from different sources. It also includes the structure editor. Both the
     structure importers and the structure editors can be extended by plugins.
     """
 
     def __init__(self, model: StructureStepModel, **kwargs):
-        from aiidalab_qe.common.widgets import LoadingWidget
-
-        super().__init__(
-            children=[LoadingWidget("Loading structure selection step")],
-            **kwargs,
-        )
-
-        self._model = model
+        super().__init__(model=model, **kwargs)
         self._model.observe(
             self._on_confirmation_change,
             "confirmed",
@@ -63,13 +55,7 @@ def __init__(self, model: StructureStepModel, **kwargs):
             "input_structure",
         )
 
-        self.rendered = False
-
-    def render(self):
-        """docstring"""
-        if self.rendered:
-            return
-
+    def _render(self):
         examples_by_category = {"Simple crystals": Examples}
         plugin_structure_examples = {
             item["title"]: item["structures"]
@@ -173,8 +159,6 @@ def render(self):
             self.confirm_button,
         ]
 
-        self.rendered = True
-
     def is_saved(self):
         return self._model.confirmed
 

src/aiidalab_qe/app/structure/model.py

@@ -1,14 +1,16 @@
 import traitlets as tl
 
 from aiidalab_qe.common.mixins import Confirmable, HasInputStructure
-from aiidalab_qe.common.mvc import Model
+from aiidalab_qe.common.widgets import QeWizardStepModel
 
 
 class StructureStepModel(
-    Model,
+    QeWizardStepModel,
     HasInputStructure,
     Confirmable,
 ):
+    identifier = "structure"
+
     structure_name = tl.Unicode("")
     manager_output = tl.Unicode("")
     message_area = tl.Unicode("")