From 6ff4cbc1cd9c5a74c68eec601bb9ffddb4abc676 Mon Sep 17 00:00:00 2001
From: AndresOrtegaGuerrero <oandresg15@gmail.com>
Date: Wed, 8 Jan 2025 09:01:11 +0000
Subject: [PATCH 1/4] adding info for optimized structured

---
 .../components/viewer/structure/structure.py  | 28 ++++++++++++++++++-
 1 file changed, 27 insertions(+), 1 deletion(-)

diff --git a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
index 0011ef49c..5bc90d8bc 100644
--- a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
+++ b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
@@ -1,6 +1,7 @@
 import ipywidgets as ipw
 
 from aiidalab_qe.common.panel import ResultsPanel
+from aiidalab_qe.common.time import format_time, relative_time
 from aiidalab_qe.common.widgets import TableWidget
 from aiidalab_widgets_base.viewers import StructureDataViewer
 
@@ -26,11 +27,22 @@ def _render(self):
             """)
             self.atom_coordinates_table = TableWidget()
             self._generate_table(structure.get_ase())
-            self.results_container.children = [
+
+            # Basic widgets
+            children = [
                 self.widget,
                 self.table_description,
                 self.atom_coordinates_table,
             ]
+
+            # Add structure info if it is a relaxed structure
+            if "relax" in self._model.properties:
+                self._initialize_structure_info(structure)
+                children.insert(0, self.structure_info)
+
+            # Add the children to the container
+            self.results_container.children = tuple(children)
+
             self.atom_coordinates_table.observe(self._change_selection, "selected_rows")
             # Listen for changes in self.widget.displayed_selection and update the table
             self.widget.observe(self._update_table_selection, "displayed_selection")
@@ -42,6 +54,20 @@ def _render(self):
         ngl._set_size("100%", "300px")
         ngl.control.zoom(0.0)
 
+    def _initialize_structure_info(self, structure):
+        self.structure_info = ipw.HTML(
+            f"""
+            <h3 style='margin-bottom: 8px;'>Structure properties</h3>
+            <div style='line-height: 1.4;'>
+                <strong>PK:</strong> {structure.pk}<br>
+                <strong>Label:</strong> {structure.label}<br>
+                <strong>Description:</strong> {structure.description}<br>
+                <strong>Number of atoms:</strong> {len(structure.sites)}<br>
+                <strong>Creation time:</strong> {format_time(structure.ctime)} ({relative_time(structure.ctime)})<br>
+            </div>
+            """
+        )
+
     def _generate_table(self, structure):
         data = [
             [

From 48f128aff229583b8bf342d8d2975806a9005e78 Mon Sep 17 00:00:00 2001
From: AndresOrtegaGuerrero <oandresg15@gmail.com>
Date: Wed, 8 Jan 2025 09:03:31 +0000
Subject: [PATCH 2/4] removing header

---
 .../app/result/components/viewer/structure/structure.py          | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
index 5bc90d8bc..925007a55 100644
--- a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
+++ b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
@@ -57,7 +57,6 @@ def _render(self):
     def _initialize_structure_info(self, structure):
         self.structure_info = ipw.HTML(
             f"""
-            <h3 style='margin-bottom: 8px;'>Structure properties</h3>
             <div style='line-height: 1.4;'>
                 <strong>PK:</strong> {structure.pk}<br>
                 <strong>Label:</strong> {structure.label}<br>

From 13f964ff5e482dbc2512fc8a46a80e16a0484925 Mon Sep 17 00:00:00 2001
From: AndresOrtegaGuerrero <oandresg15@gmail.com>
Date: Wed, 8 Jan 2025 10:33:08 +0000
Subject: [PATCH 3/4] apply edan's suggestions

---
 .../components/viewer/structure/structure.py  | 20 ++++++++-----------
 1 file changed, 8 insertions(+), 12 deletions(-)

diff --git a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
index 925007a55..0904c380a 100644
--- a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
+++ b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
@@ -28,21 +28,17 @@ def _render(self):
             self.atom_coordinates_table = TableWidget()
             self._generate_table(structure.get_ase())
 
-            # Basic widgets
-            children = [
+            # Get information from the structure
+            structure_info = self._get_structure_info(structure)
+
+            # Add the children to the container
+            self.results_container.children = [
+                structure_info,
                 self.widget,
                 self.table_description,
                 self.atom_coordinates_table,
             ]
 
-            # Add structure info if it is a relaxed structure
-            if "relax" in self._model.properties:
-                self._initialize_structure_info(structure)
-                children.insert(0, self.structure_info)
-
-            # Add the children to the container
-            self.results_container.children = tuple(children)
-
             self.atom_coordinates_table.observe(self._change_selection, "selected_rows")
             # Listen for changes in self.widget.displayed_selection and update the table
             self.widget.observe(self._update_table_selection, "displayed_selection")
@@ -54,8 +50,8 @@ def _render(self):
         ngl._set_size("100%", "300px")
         ngl.control.zoom(0.0)
 
-    def _initialize_structure_info(self, structure):
-        self.structure_info = ipw.HTML(
+    def _get_structure_info(self, structure):
+        return ipw.HTML(
             f"""
             <div style='line-height: 1.4;'>
                 <strong>PK:</strong> {structure.pk}<br>

From a5d4021bf35723894a9799ec8ed51a62471f7283 Mon Sep 17 00:00:00 2001
From: AndresOrtegaGuerrero <oandresg15@gmail.com>
Date: Wed, 8 Jan 2025 12:27:53 +0000
Subject: [PATCH 4/4] removing comments

---
 .../app/result/components/viewer/structure/structure.py         | 2 --
 1 file changed, 2 deletions(-)

diff --git a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
index 0904c380a..3ddd7f55e 100644
--- a/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
+++ b/src/aiidalab_qe/app/result/components/viewer/structure/structure.py
@@ -28,10 +28,8 @@ def _render(self):
             self.atom_coordinates_table = TableWidget()
             self._generate_table(structure.get_ase())
 
-            # Get information from the structure
             structure_info = self._get_structure_info(structure)
 
-            # Add the children to the container
             self.results_container.children = [
                 structure_info,
                 self.widget,