Clean up panel classes (#1014)

This PR addresses preliminary modifications in the panel module required by follow-up PRs.

src/aiidalab_qe/app/configuration/__init__.py

@@ -218,7 +218,7 @@ def _update_tabs(self):
         for identifier, model in self._model.get_models():
             if model.include:
                 settings = self.settings[identifier]
-                titles.append(settings.title)
+                titles.append(model.title)
                 children.append(settings)
         if self.rendered:
             self.tabs.selected_index = None
@@ -245,7 +245,6 @@ def _fetch_plugin_calculation_settings(self):
                 if key not in configuration:
                     raise ValueError(f"Entry {identifier} is missing the '{key}' key")
 
-            panel = configuration["panel"]
             model: ConfigurationSettingsModel = configuration["model"]()
             self._model.add_model(identifier, model)
 
@@ -287,7 +286,5 @@ def toggle_plugin(change, identifier=identifier, model=model, info=info):
                 )
             )
 
-            self.settings[identifier] = panel(
-                identifier=identifier,
-                model=model,
-            )
+            panel: ConfigurationSettingsPanel = configuration["panel"](model=model)
+            self.settings[identifier] = panel

src/aiidalab_qe/app/configuration/advanced/advanced.py

@@ -30,9 +30,6 @@
 class AdvancedConfigurationSettingsPanel(
     ConfigurationSettingsPanel[AdvancedConfigurationSettingsModel],
 ):
-    title = "Advanced Settings"
-    identifier = "advanced"
-
     def __init__(self, model: AdvancedConfigurationSettingsModel, **kwargs):
         super().__init__(
             model=model,

src/aiidalab_qe/app/configuration/advanced/hubbard/hubbard.py

@@ -7,8 +7,6 @@
 class HubbardConfigurationSettingsPanel(
     AdvancedConfigurationSubSettingsPanel[HubbardConfigurationSettingsModel],
 ):
-    identifier = "hubbard"
-
     def __init__(self, model: HubbardConfigurationSettingsModel, **kwargs):
         super().__init__(model, **kwargs)
 

src/aiidalab_qe/app/configuration/advanced/hubbard/model.py

@@ -16,6 +16,8 @@ class HubbardConfigurationSettingsModel(
     AdvancedCalculationSubSettingsModel,
     HasInputStructure,
 ):
+    identifier = "hubbard"
+
     dependencies = [
         "input_structure",
     ]

src/aiidalab_qe/app/configuration/advanced/magnetization/magnetization.py

@@ -20,8 +20,6 @@ class MagnetizationConfigurationSettingsPanel(
         input_structure(StructureData): trait that contains the input_structure (confirmed structure from previous step)
     """
 
-    identifier = "magnetization"
-
     def __init__(self, model: MagnetizationConfigurationSettingsModel, **kwargs):
         super().__init__(model, **kwargs)
 

src/aiidalab_qe/app/configuration/advanced/magnetization/model.py

@@ -11,6 +11,8 @@ class MagnetizationConfigurationSettingsModel(
     AdvancedCalculationSubSettingsModel,
     HasInputStructure,
 ):
+    identifier = "magnetization"
+
     dependencies = [
         "input_structure",
         "electronic_type",

src/aiidalab_qe/app/configuration/advanced/model.py

@@ -32,6 +32,9 @@ class AdvancedConfigurationSettingsModel(
     HasModels[AdvancedCalculationSubSettingsModel],
     HasInputStructure,
 ):
+    title = "Advanced Settings"
+    identifier = "advanced"
+
     dependencies = [
         "input_structure",
         "workchain.protocol",

src/aiidalab_qe/app/configuration/advanced/pseudos/model.py

@@ -26,6 +26,8 @@ class PseudosConfigurationSettingsModel(
     AdvancedCalculationSubSettingsModel,
     HasInputStructure,
 ):
+    identifier = "pseudos"
+
     dependencies = [
         "input_structure",
         "protocol",

src/aiidalab_qe/app/configuration/advanced/pseudos/pseudos.py

@@ -22,8 +22,6 @@
 class PseudosConfigurationSettingsPanel(
     AdvancedConfigurationSubSettingsPanel[PseudosConfigurationSettingsModel],
 ):
-    identifier = "pseudos"
-
     def __init__(self, model: PseudosConfigurationSettingsModel, **kwargs):
         super().__init__(model, **kwargs)
 

src/aiidalab_qe/app/configuration/advanced/smearing/model.py

@@ -8,6 +8,8 @@
 
 
 class SmearingConfigurationSettingsModel(AdvancedCalculationSubSettingsModel):
+    identifier = "smearing"
+
     dependencies = [
         "protocol",
     ]

src/aiidalab_qe/app/configuration/advanced/smearing/smearing.py

@@ -7,8 +7,6 @@
 class SmearingConfigurationSettingsPanel(
     AdvancedConfigurationSubSettingsPanel[SmearingConfigurationSettingsModel],
 ):
-    identifier = "smearing"
-
     def __init__(self, model: SmearingConfigurationSettingsModel, **kwargs):
         super().__init__(model, **kwargs)
 

src/aiidalab_qe/app/configuration/basic/model.py

@@ -8,6 +8,9 @@
 
 
 class BasicConfigurationSettingsModel(ConfigurationSettingsModel):
+    title = "Basic Settings"
+    identifier = "workchain"
+
     dependencies = [
         "input_structure",
     ]

src/aiidalab_qe/app/configuration/basic/workflow.py

@@ -13,9 +13,6 @@
 class BasicConfigurationSettingsPanel(
     ConfigurationSettingsPanel[BasicConfigurationSettingsModel],
 ):
-    title = "Basic Settings"
-    identifier = "workchain"
-
     def __init__(self, model: BasicConfigurationSettingsModel, **kwargs):
         super().__init__(model, **kwargs)
         self._model.observe(

src/aiidalab_qe/app/result/components/viewer/structure/model.py

@@ -2,6 +2,7 @@
 
 
 class StructureResultsModel(ResultsModel):
+    title = "Structure"
     identifier = "structure"
 
     _this_process_label = "PwRelaxWorkChain"

src/aiidalab_qe/app/result/components/viewer/structure/structure.py

@@ -5,9 +5,6 @@
 
 
 class StructureResults(ResultsPanel[StructureResultsModel]):
-    title = "Final Geometry"
-    identifier = "structure"
-
     def _render(self):
         if not hasattr(self, "widget"):
             self.widget = StructureDataViewer(structure=self._model.outputs.structure)

src/aiidalab_qe/app/result/components/viewer/viewer.py

@@ -67,8 +67,11 @@ def _update_panels(self):
     def _set_tabs(self):
         children = []
         titles = []
-        for results in self.panels.values():
-            titles.append(results.title)
+        for identifier, model in self._model.get_models():
+            if identifier not in self.panels:
+                continue
+            results = self.panels[identifier]
+            titles.append(model.title)
             children.append(results)
         self.tabs.children = children
         for i, title in enumerate(titles):
@@ -80,7 +83,7 @@ def _add_structure_panel(self):
         structure_model = StructureResultsModel()
         structure_model.process_uuid = self._model.process_uuid
         self.structure_results = StructureResults(model=structure_model)
-        identifier = self.structure_results.identifier
+        identifier = structure_model.identifier
         self._model.add_model(identifier, structure_model)
         self.panels = {
             identifier: self.structure_results,

src/aiidalab_qe/app/submission/__init__.py

@@ -13,7 +13,11 @@
 from aiidalab_qe.common.code import PluginCodes, PwCodeModel
 from aiidalab_qe.common.infobox import InAppGuide
 from aiidalab_qe.common.mixins import DependentStep
-from aiidalab_qe.common.panel import PluginResourceSettingsModel, ResourceSettingsPanel
+from aiidalab_qe.common.panel import (
+    PluginResourceSettingsModel,
+    PluginResourceSettingsPanel,
+    ResourceSettingsPanel,
+)
 from aiidalab_qe.common.setup_codes import QESetupWidget
 from aiidalab_qe.common.setup_pseudos import PseudosInstallWidget
 from aiidalab_widgets_base import WizardAppWidgetStep
@@ -310,7 +314,7 @@ def _update_tabs(self):
         for identifier, model in self._model.get_models():
             if model.include:
                 settings = self.settings[identifier]
-                titles.append(settings.title)
+                titles.append(model.title)
                 children.append(settings)
         if self.rendered:
             self.tabs.selected_index = None
@@ -343,7 +347,6 @@ def _fetch_plugin_resource_settings(self):
                 if key not in resources:
                     raise ValueError(f"Entry {identifier} is missing the '{key}' key")
 
-            panel = resources["panel"]
             model: PluginResourceSettingsModel = resources["model"]()
             model.observe(
                 self._on_plugin_overrides_change,
@@ -359,10 +362,8 @@ def _fetch_plugin_resource_settings(self):
             )
             self._model.add_model(identifier, model)
 
-            self.settings[identifier] = panel(
-                identifier=identifier,
-                model=model,
-            )
+            panel: PluginResourceSettingsPanel = resources["panel"](model=model)
+            self.settings[identifier] = panel
 
             codes[identifier] = dict(model.get_models())
 

src/aiidalab_qe/app/submission/global_settings/model.py

@@ -15,6 +15,7 @@ class GlobalResourceSettingsModel(
 ):
     """Model for the global code setting."""
 
+    title = "Global resources"
     identifier = "global"
 
     dependencies = [

src/aiidalab_qe/app/submission/global_settings/setting.py

@@ -15,9 +15,6 @@
 
 
 class GlobalResourceSettingsPanel(ResourceSettingsPanel[GlobalResourceSettingsModel]):
-    title = "Global resources"
-    identifier = "global"
-
     def __init__(self, model: GlobalResourceSettingsModel, **kwargs):
         super().__init__(model, **kwargs)