fixing detached app and upload of files for INS.

mikibonacci · Jan 13, 2025 · 4642444 · 4642444
1 parent c9f7ef4
commit 4642444
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Showing 4 changed files with 26 additions and 21 deletions.
diff --git a/src/aiidalab_qe_vibroscopy/app/widgets/euphonicmodel.py b/src/aiidalab_qe_vibroscopy/app/widgets/euphonicmodel.py
@@ -58,7 +58,13 @@ class EuphonicResultsModel(Model):
     THz_to_meV = 4.13566553853599  # conversion factor.
     THz_to_cm1 = 33.3564095198155  # conversion factor.
 
-    def __init__(self, node=None, spectrum_type: str = "single_crystal", **kwargs):
+    def __init__(
+        self,
+        node=None,
+        spectrum_type: str = "single_crystal",
+        detached_app: bool = False,
+        **kwargs,
+    ):
         super().__init__(**kwargs)
 
         self.spectra = {}
@@ -67,8 +73,8 @@ def __init__(self, node=None, spectrum_type: str = "single_crystal", **kwargs):
         self.spectrum_type = spectrum_type
         self.xlabel = None
         self.ylabel = self.energy_units
-        self.detached_app = False
-        if node:
+        self.detached_app = detached_app
+        if node:  # qe app mode.
             self.vibro = node
 
         if self.spectrum_type == "single_crystal":
@@ -114,10 +120,12 @@ def fetch_data(self):
             self.q_path = ins_data["q_path"]
         # 2. from uploaded files...
         else:
+            # here we just use upload_widget as MVC all together, for simplicity.
+            # moreover, this part is not used in the current QE app.
             self.fc = self.upload_widget._read_phonopy_files(
                 fname=self.fname,
-                phonopy_yaml_content=self._model.phonopy_yaml_content,
-                fc_hdf5_content=self._model.fc_hdf5_content,
+                phonopy_yaml_content=self.phonopy_yaml_content,
+                fc_hdf5_content=self.fc_hdf5_content,
             )
 
     def _inject_single_crystal_settings(

diff --git a/src/aiidalab_qe_vibroscopy/app/widgets/euphonicwidget.py b/src/aiidalab_qe_vibroscopy/app/widgets/euphonicwidget.py
@@ -98,6 +98,7 @@ def render(self):
             )
             self.upload_widget.children[0].observe(self._on_upload_yaml, "_counter")
             self.upload_widget.children[1].observe(self._on_upload_hdf5, "_counter")
+            self._model.upload_widget = self.upload_widget
             self.children += (self.upload_widget,)
 
         self.download_widget = DownloadYamlHdf5Widget(model=self._model)
@@ -166,7 +167,7 @@ def _on_upload_yaml(self, change):
             for fname in self.upload_widget.children[
                 0
             ].value.keys():  # always one key because I allow only one file at the time.
-                self.fname = fname
+                self._model.fname = fname
                 self._model.phonopy_yaml_content = self.upload_widget.children[0].value[
                     fname
                 ]["content"]

diff --git a/src/aiidalab_qe_vibroscopy/utils/euphonic/detached_app/Detached_app.ipynb b/src/aiidalab_qe_vibroscopy/utils/euphonic/detached_app/Detached_app.ipynb
@@ -39,7 +39,7 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "a2abe40204ac4a478c99cb6f8ba683b4",
+       "model_id": "152be27af20540b8aeeadd7fc2d2a462",
        "version_major": 2,
        "version_minor": 0
       },
@@ -100,8 +100,8 @@
     "from IPython.display import display\n",
     "from jinja2 import Environment\n",
     "\n",
-    "from aiidalab_qe_vibroscopy.utils.euphonic import static\n",
-    "from aiidalab_qe_vibroscopy.utils.euphonic import EuphonicSuperWidget"
+    "from aiidalab_qe_vibroscopy.utils.euphonic.detached_app import static\n",
+    "from aiidalab_qe_vibroscopy.app.widgets.euphonicwidget import EuphonicWidget"
    ]
   },
   {
@@ -113,7 +113,7 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "aec117638bca4fb998fcec2ce07f9d0d",
+       "model_id": "a4b4d2771766495f95056deffcc53a2b",
        "version_major": 2,
        "version_minor": 0
       },
@@ -135,25 +135,21 @@
     "    '<p style=\"text-align:right;\">Copyright (c) 2024 Miki Bonacci (PSI), [email protected]; &#8195Version: 0.1.1</p>'\n",
     ")\n",
     "\n",
-    "from aiidalab_qe_vibroscopy.app.widgets.euphonicmodel import EuphonicBaseResultsModel\n",
+    "from aiidalab_qe_vibroscopy.app.widgets.euphonicmodel import EuphonicResultsModel\n",
     "\n",
-    "widget = EuphonicSuperWidget(mode=\"detached\", model=EuphonicBaseResultsModel())\n",
+    "widget = EuphonicWidget(\n",
+    "    model=EuphonicResultsModel(detached_app=True), detached_app=True\n",
+    ")\n",
+    "widget.render()\n",
     "\n",
     "output = ipw.Output()\n",
     "\n",
     "with output:\n",
     "    display(welcome_message, widget, footer)\n",
     "\n",
+    "\n",
     "display(output)"
    ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "22387f54",
-   "metadata": {},
-   "outputs": [],
-   "source": []
   }
  ],
  "metadata": {

diff --git a/src/aiidalab_qe_vibroscopy/utils/euphonic/detached_app/uploadwidgets.py b/src/aiidalab_qe_vibroscopy/utils/euphonic/detached_app/uploadwidgets.py
@@ -221,7 +221,7 @@ def _on_upload_yaml(self, change):
             for fname in self.upload_widget.children[
                 0
             ].value.keys():  # always one key because I allow only one file at the time.
-                self.fname = fname
+                self._model.fname = fname
                 self._model.phonopy_yaml_content = self.upload_widget.children[0].value[
                     fname
                 ]["content"]