From 2881d27bd4cbdb80af5f4d2b476b9e85eab968a4 Mon Sep 17 00:00:00 2001
From: Edan Bainglass <edan.bainglass@gmail.com>
Date: Fri, 3 Jan 2025 09:17:25 +0000
Subject: [PATCH 1/5] Add structure pk

---
 src/aiidalab_qe/app/result/components/summary/model.py        | 1 +
 .../app/static/templates/workflow_list_summary.jinja          | 3 +++
 .../app/static/templates/workflow_table_summary.jinja         | 4 ++++
 3 files changed, 8 insertions(+)

diff --git a/src/aiidalab_qe/app/result/components/summary/model.py b/src/aiidalab_qe/app/result/components/summary/model.py
index 37138c72d..8867f618a 100644
--- a/src/aiidalab_qe/app/result/components/summary/model.py
+++ b/src/aiidalab_qe/app/result/components/summary/model.py
@@ -177,6 +177,7 @@ 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,
             "formula": initial_structure.get_formula(),
             "num_atoms": len(initial_structure.sites),
             "space_group": "{} ({})".format(
diff --git a/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja b/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
index 4588d070c..4377ea03b 100644
--- a/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
+++ b/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
@@ -27,6 +27,9 @@
     <div class="summary-table" id="structure-properties">
       <h2>Structure properties</h2>
       <ul>
+        <li>
+          <strong>Structure PK:</strong> {{ structure_pk }}
+        </li>
         <li>
           <strong>Chemical formula:</strong> {{ formula }}
         </li>
diff --git a/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja b/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
index 7706dd014..275d49f1d 100644
--- a/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
+++ b/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
@@ -32,6 +32,10 @@
   <div class="summary-table" id="structure-properties">
     <h2>Structure properties</h2>
     <table>
+      <tr>
+        <td>Structure PK</td>
+        <td>{{ structure_pk }}</td>
+      </tr>
       <tr>
         <td>Chemical formula</td>
         <td>{{ formula }}</td>

From 52d1ea6b8055f0fe254ee99c4364441e369e0104 Mon Sep 17 00:00:00 2001
From: Edan Bainglass <edan.bainglass@gmail.com>
Date: Fri, 3 Jan 2025 09:17:48 +0000
Subject: [PATCH 2/5] Change section title to "Initial structure properties"

---
 .../app/static/templates/workflow_list_summary.jinja            | 2 +-
 .../app/static/templates/workflow_table_summary.jinja           | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja b/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
index 4377ea03b..2258a3a2f 100644
--- a/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
+++ b/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
@@ -25,7 +25,7 @@
       </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 }}
diff --git a/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja b/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
index 275d49f1d..7d7eb69d2 100644
--- a/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
+++ b/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
@@ -30,7 +30,7 @@
     </table>
   </div>
   <div class="summary-table" id="structure-properties">
-    <h2>Structure properties</h2>
+    <h2>Initial structure properties</h2>
     <table>
       <tr>
         <td>Structure PK</td>

From bfa739062ae880730836147f0d1050a44197ae54 Mon Sep 17 00:00:00 2001
From: Edan Bainglass <edan.bainglass@gmail.com>
Date: Sat, 4 Jan 2025 06:26:11 +0000
Subject: [PATCH 3/5] Add structure uuid

---
 src/aiidalab_qe/app/result/components/summary/model.py        | 1 +
 .../app/static/templates/workflow_list_summary.jinja          | 3 +++
 .../app/static/templates/workflow_table_summary.jinja         | 4 ++++
 3 files changed, 8 insertions(+)

diff --git a/src/aiidalab_qe/app/result/components/summary/model.py b/src/aiidalab_qe/app/result/components/summary/model.py
index 8867f618a..c0b0b0ad2 100644
--- a/src/aiidalab_qe/app/result/components/summary/model.py
+++ b/src/aiidalab_qe/app/result/components/summary/model.py
@@ -178,6 +178,7 @@ def _generate_report_parameters(self):
             "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(
diff --git a/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja b/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
index 2258a3a2f..99189cc06 100644
--- a/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
+++ b/src/aiidalab_qe/app/static/templates/workflow_list_summary.jinja
@@ -30,6 +30,9 @@
         <li>
           <strong>Structure PK:</strong> {{ structure_pk }}
         </li>
+        <li>
+          <strong>Structure UUID:</strong> {{ structure_uuid }}
+        </li>
         <li>
           <strong>Chemical formula:</strong> {{ formula }}
         </li>
diff --git a/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja b/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
index 7d7eb69d2..78571afdf 100644
--- a/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
+++ b/src/aiidalab_qe/app/static/templates/workflow_table_summary.jinja
@@ -36,6 +36,10 @@
         <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>

From c4dcfc483029b2c053b66f9b100babdcc7ae19a0 Mon Sep 17 00:00:00 2001
From: Edan Bainglass <edan.bainglass@gmail.com>
Date: Sat, 4 Jan 2025 11:03:01 +0000
Subject: [PATCH 4/5] Update summary test

---
 tests/test_result.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/test_result.py b/tests/test_result.py
index b5932fdbb..59a727817 100644
--- a/tests/test_result.py
+++ b/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)

From f1e7bf260aff23e87bea2181dac6b654dafc7bc4 Mon Sep 17 00:00:00 2001
From: Edan Bainglass <edan.bainglass@gmail.com>
Date: Sun, 5 Jan 2025 11:10:42 +0000
Subject: [PATCH 5/5] Fix bug in exit status check logic

---
 src/aiidalab_qe/app/result/components/summary/model.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/aiidalab_qe/app/result/components/summary/model.py b/src/aiidalab_qe/app/result/components/summary/model.py
index c0b0b0ad2..2c8c403a3 100644
--- a/src/aiidalab_qe/app/result/components/summary/model.py
+++ b/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()