Add initial structure pk to summary (#1051)

- Add structure PK
- Change section title to "Initial structure properties"
- Add structure UUID
- Update summary test
- Fix bug in exit status check logic

src/aiidalab_qe/app/result/components/summary/model.py

@@ -132,7 +132,7 @@ def generate_report_text(self, report_dict):
     def generate_failure_report(self):
         """Generate a html for reporting the failure of the `QeAppWorkChain`."""
         process_node = self.fetch_process_node()
-        if not process_node and process_node.exit_status:
+        if not (process_node and process_node.exit_status):
             return
         final_calcjob = self._get_final_calcjob(process_node)
         env = Environment()
@@ -177,6 +177,8 @@ def _generate_report_parameters(self):
             "creation_time_relative": relative_time(qeapp_wc.ctime),
             "modification_time": format_time(qeapp_wc.mtime),
             "modification_time_relative": relative_time(qeapp_wc.mtime),
+            "structure_pk": initial_structure.pk,
+            "structure_uuid": initial_structure.uuid,
             "formula": initial_structure.get_formula(),
             "num_atoms": len(initial_structure.sites),
             "space_group": "{} ({})".format(

src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja

@@ -25,8 +25,14 @@
       </ul>
     </div>
     <div class="summary-table" id="structure-properties">
-      <h2>Structure properties</h2>
+      <h2>Initial structure properties</h2>
       <ul>
+        <li>
+          <strong>Structure PK:</strong> {{ structure_pk }}
+        </li>
+        <li>
+          <strong>Structure UUID:</strong> {{ structure_uuid }}
+        </li>
         <li>
           <strong>Chemical formula:</strong> {{ formula }}
         </li>

src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja

@@ -30,8 +30,16 @@
     </table>
   </div>
   <div class="summary-table" id="structure-properties">
-    <h2>Structure properties</h2>
+    <h2>Initial structure properties</h2>
     <table>
+      <tr>
+        <td>Structure PK</td>
+        <td>{{ structure_pk }}</td>
+      </tr>
+      <tr>
+        <td>Structure UUID</td>
+        <td>{{ structure_uuid }}</td>
+      </tr>
       <tr>
         <td>Chemical formula</td>
         <td>{{ formula }}</td>

tests/test_result.py

@@ -58,6 +58,8 @@ def test_summary_report(data_regression, generate_qeapp_workchain):
         "creation_time_relative",
         "modification_time",
         "modification_time_relative",
+        "structure_pk",
+        "structure_uuid",
     ):
         report_parameters.pop(key)
     data_regression.check(report_parameters)