From 548a32c6f747603adf4048962260c25228ae76a4 Mon Sep 17 00:00:00 2001
From: Bhavin Katabathuni <bhavin2897@gmail.com>
Date: Mon, 28 Oct 2024 12:14:32 +0100
Subject: [PATCH] iupac name and molecule name addition on read.html

---
 .idea/workspace.xml                             | 15 ++++++++++++---
 ...ckanext_rdkit_visuals_data_page_visuals.html | 17 ++++++++++++++++-
 .../ckanext_rdkit_visuals_rdkit_visuals.html    | 14 ++++++++------
 3 files changed, 36 insertions(+), 10 deletions(-)

diff --git a/.idea/workspace.xml b/.idea/workspace.xml
index 05e3c15..deda0e6 100644
--- a/.idea/workspace.xml
+++ b/.idea/workspace.xml
@@ -4,7 +4,7 @@
     <option name="autoReloadType" value="SELECTIVE" />
   </component>
   <component name="ChangeListManager">
-    <list default="true" id="a480400d-cdd3-4e8e-bd87-9a91d7a686d6" name="Changes" comment="Iupac Name display on package read" />
+    <list default="true" id="a480400d-cdd3-4e8e-bd87-9a91d7a686d6" name="Changes" comment="Add molecule_name in tabe" />
     <option name="SHOW_DIALOG" value="false" />
     <option name="HIGHLIGHT_CONFLICTS" value="true" />
     <option name="HIGHLIGHT_NON_ACTIVE_CHANGELIST" value="false" />
@@ -331,7 +331,15 @@
       <option name="project" value="LOCAL" />
       <updated>1729764626538</updated>
     </task>
-    <option name="localTasksCounter" value="29" />
+    <task id="LOCAL-00029" summary="Add molecule_name in tabe">
+      <option name="closed" value="true" />
+      <created>1729861318108</created>
+      <option name="number" value="00029" />
+      <option name="presentableId" value="LOCAL-00029" />
+      <option name="project" value="LOCAL" />
+      <updated>1729861318108</updated>
+    </task>
+    <option name="localTasksCounter" value="30" />
     <servers />
   </component>
   <component name="Vcs.Log.Tabs.Properties">
@@ -365,6 +373,7 @@
     <MESSAGE value="added recursive" />
     <MESSAGE value="Added models for iupac_name and alternate names" />
     <MESSAGE value="Iupac Name display on package read" />
-    <option name="LAST_COMMIT_MESSAGE" value="Iupac Name display on package read" />
+    <MESSAGE value="Add molecule_name in tabe" />
+    <option name="LAST_COMMIT_MESSAGE" value="Add molecule_name in tabe" />
   </component>
 </project>
\ No newline at end of file
diff --git a/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_data_page_visuals.html b/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_data_page_visuals.html
index b6d6fab..f7e7fdd 100644
--- a/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_data_page_visuals.html
+++ b/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_data_page_visuals.html
@@ -1,7 +1,8 @@
 {% set data_dict = {'inchi': pkg.get('inchi'), 'smiles': pkg.get('smiles'), 'inchi_key': pkg.get('inchi_key'), 'exact_mass' : pkg.get('exactmass'), 'molecular_formula': pkg.get('molecular_formula') } %}
 
 {% set dest_url = h.url_for('rdkit_visuals.display_image', package_name = pkg.get('id'), _external=True) %}
-{% set molecule_formula = h.molecule_data(package_name = pkg.get('id'))  %}
+{# {% set molecule_formula = h.molecule_data(package_name = pkg.get('id'))  %} #}
+{% set molecule_formula,exact_mass,inchi,iupac_name,molecule_name = h.get_molecule_data(package_id = package_result[0]['id']) %}
 {% set alter_names = h.alternate_names(package_name = pkg.get('id')) %}}
 
 
@@ -55,6 +56,20 @@ <h3>{{ _('Chemical Info') }}</h3>
         <table class="table">
          <tbody>
 
+         {% if molecule_name %}
+          <tr>
+              <th width="25%" scope="row" class="dataset-label">{{ _("Molecule Name") }}</th>
+              <td  width="50%" class="dataset-details">{{ molecule_name }}</td>
+           </tr>
+         {% endif %}
+
+         {% if IUpacName %}
+            <tr>
+              <th scope="row" class="dataset-label">{{ _("IUPAC Name") }}</th>
+              <td class="dataset-details"> {{ IUpacName }}</td>
+            </tr>
+         {% endif %}
+
          {% if data_dict.inchi %}
            <tr>
             <th width="25%" scope="row" class="dataset-label">{{ _("InChI") }}</th>
diff --git a/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_rdkit_visuals.html b/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_rdkit_visuals.html
index add9a98..3272fb7 100644
--- a/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_rdkit_visuals.html
+++ b/ckanext/rdkit_visuals/templates/snippets/ckanext_rdkit_visuals_rdkit_visuals.html
@@ -57,13 +57,14 @@ <h3>{{ _('Chemical Info') }}</h3>
         <table class="table">
          <tbody>
 
-         {% if data_dict.inchi %}
+         {% if molecule_name %}
            <tr>
-            <th width="25%" scope="row" class="dataset-label">{{ _("InChI") }}</th>
-            <td  width="50%" class="dataset-details">{{ data_dict.inchi }}</td>
+              <th width="25%" scope="row" class="dataset-label">{{ _("Molecule Name") }}</th>
+              <td  width="50%" class="dataset-details">{{ molecule_name }}</td>
            </tr>
          {% endif %}
 
+
          {% if iupac_name %}
           <tr>
             <th width="25%" scope="row" class="dataset-label">{{ _("IUPAC Name") }}</th>
@@ -71,13 +72,14 @@ <h3>{{ _('Chemical Info') }}</h3>
            </tr>
          {% endif %}
 
-         {% if molecule_name %}
+         {% if data_dict.inchi %}
            <tr>
-              <th width="25%" scope="row" class="dataset-label">{{ _("Molecule Name") }}</th>
-              <td  width="50%" class="dataset-details">{{ molecule_name }}</td>
+            <th width="25%" scope="row" class="dataset-label">{{ _("InChI") }}</th>
+            <td  width="50%" class="dataset-details">{{ data_dict.inchi }}</td>
            </tr>
          {% endif %}
 
+
          {% if data_dict.smiles %}
            <tr>
               <th scope="row" class="dataset-label">{{ _("SMILES") }}</th>