setting lazy loading

src/aiidalab_qe_vibroscopy/app/__init__.py

@@ -1,19 +1,33 @@
-from aiidalab_qe_vibroscopy.app.settings import Setting
+from aiidalab_qe.common.panel import PluginOutline
+
+from aiidalab_qe_vibroscopy.app.model import VibroConfigurationSettingsModel
+from aiidalab_qe_vibroscopy.app.settings import VibroConfigurationSettingPanel
+
+
+# from aiidalab_qe_vibroscopy.app.settings import Setting
 from aiidalab_qe_vibroscopy.app.workchain import workchain_and_builder
-from aiidalab_qe_vibroscopy.app.result import Result
-from aiidalab_qe.common.panel import OutlinePanel
+# from aiidalab_qe_vibroscopy.app.result import Result
+# from aiidalab_qe.common.panel import OutlinePanel
 
 from aiidalab_qe.common.widgets import (
     QEAppComputationalResourcesWidget,
     PwCodeResourceSetupWidget,
 )
 
 
-class Outline(OutlinePanel):
-    title = "Vibrational properties"
-    # description = "IR and Raman spectra; you may also select phononic and dielectric properties"
+class VibroPluginOutline(PluginOutline):
+    title = "Vibrational Spectroscopy (VIBRO)"
 
 
+property = {
+    "outline": VibroPluginOutline,
+    "configuration": {
+        "panel": VibroConfigurationSettingPanel,
+        "model": VibroConfigurationSettingsModel,
+    },
+    "workchain": workchain_and_builder,
+}
+
 PhononWorkChainPwCode = PwCodeResourceSetupWidget(
     description="pw.x for phonons",  # code for the PhononWorkChain workflow",
     default_calc_job_plugin="quantumespresso.pw",
@@ -30,14 +44,14 @@ class Outline(OutlinePanel):
     default_calc_job_plugin="phonopy.phonopy",
 )
 
-property = {
-    "outline": Outline,
-    "code": {
-        "phonon": PhononWorkChainPwCode,
-        "dielectric": DielectricWorkChainPwCode,
-        "phonopy": PhonopyCalculationCode,
-    },
-    "setting": Setting,
-    "workchain": workchain_and_builder,
-    "result": Result,
-}
+# property = {
+#     "outline": Outline,
+#     "code": {
+#         "phonon": PhononWorkChainPwCode,
+#         "dielectric": DielectricWorkChainPwCode,
+#         "phonopy": PhonopyCalculationCode,
+#     },
+#     "setting": Setting,
+#     "workchain": workchain_and_builder,
+#     "result": Result,
+# }

src/aiidalab_qe_vibroscopy/app/model.py

@@ -0,0 +1,35 @@
+import traitlets as tl
+
+
+from aiidalab_qe.common.mixins import HasInputStructure
+from aiidalab_qe.common.panel import ConfigurationSettingsModel
+
+
+class VibroConfigurationSettingsModel(ConfigurationSettingsModel, HasInputStructure):
+    dependencies = [
+        "input_structure",
+    ]
+
+    simulation_type_options = tl.List(
+        trait=tl.List(tl.Union([tl.Unicode(), tl.Int()])),
+        default_value=[
+            ("IR/Raman, Phonon, Dielectric, INS properties", 1),
+            ("IR/Raman and Dielectric in Primitive Cell Approach", 2),
+            ("Phonons for non-polar materials and INS", 3),
+            ("Dielectric properties", 4),
+        ],
+    )
+    simulation_type = tl.Int(1)
+
+    symmetry_symprec = tl.Float(1e-5)
+    supercell_x = tl.Int(2)
+    supercell_y = tl.Int(2)
+    supercell_z = tl.Int(2)
+
+    supercell = tl.List(
+        trait=tl.Int(),
+        default_value=[2, 2, 2],
+    )
+
+    def _get_default(self, trait):
+        return self._defaults.get(trait, self.traits()[trait].default_value)