From c32e8cd0fecdcc0c3a3a2c9ffe7fa2a72fa9d072 Mon Sep 17 00:00:00 2001
From: Bhavin Katabathuni <bhavin2897@gmail.com>
Date: Fri, 25 Oct 2024 15:01:56 +0200
Subject: [PATCH] Add molecule_name in tabe

---
 .idea/workspace.xml                             | 17 +++++++++++++----
 ckanext/rdkit_visuals/models/molecule_rel.py    |  3 ++-
 ckanext/rdkit_visuals/models/molecule_tab.py    |  6 ++++--
 .../ckanext_rdkit_visuals_rdkit_visuals.html    |  9 ++++++++-
 4 files changed, 27 insertions(+), 8 deletions(-)

diff --git a/.idea/workspace.xml b/.idea/workspace.xml
index 9bc486f..05e3c15 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="Added models for iupac_name and alternate names" />
+    <list default="true" id="a480400d-cdd3-4e8e-bd87-9a91d7a686d6" name="Changes" comment="Iupac Name display on package read" />
     <option name="SHOW_DIALOG" value="false" />
     <option name="HIGHLIGHT_CONFLICTS" value="true" />
     <option name="HIGHLIGHT_NON_ACTIVE_CHANGELIST" value="false" />
@@ -120,7 +120,7 @@
   <component name="SharedIndexes">
     <attachedChunks>
       <set>
-        <option value="bundled-python-sdk-0e3be3396995-c546a90a8094-com.jetbrains.pycharm.community.sharedIndexes.bundled-PC-242.23339.19" />
+        <option value="bundled-python-sdk-d7ad00fb9fc3-c546a90a8094-com.jetbrains.pycharm.community.sharedIndexes.bundled-PC-242.23726.102" />
       </set>
     </attachedChunks>
   </component>
@@ -323,7 +323,15 @@
       <option name="project" value="LOCAL" />
       <updated>1729676722209</updated>
     </task>
-    <option name="localTasksCounter" value="28" />
+    <task id="LOCAL-00028" summary="Iupac Name display on package read">
+      <option name="closed" value="true" />
+      <created>1729764626538</created>
+      <option name="number" value="00028" />
+      <option name="presentableId" value="LOCAL-00028" />
+      <option name="project" value="LOCAL" />
+      <updated>1729764626538</updated>
+    </task>
+    <option name="localTasksCounter" value="29" />
     <servers />
   </component>
   <component name="Vcs.Log.Tabs.Properties">
@@ -356,6 +364,7 @@
     <MESSAGE value="fixed two resource views of resource_read" />
     <MESSAGE value="added recursive" />
     <MESSAGE value="Added models for iupac_name and alternate names" />
-    <option name="LAST_COMMIT_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" />
   </component>
 </project>
\ No newline at end of file
diff --git a/ckanext/rdkit_visuals/models/molecule_rel.py b/ckanext/rdkit_visuals/models/molecule_rel.py
index d1d55ed..e131c7e 100644
--- a/ckanext/rdkit_visuals/models/molecule_rel.py
+++ b/ckanext/rdkit_visuals/models/molecule_rel.py
@@ -130,8 +130,9 @@ def get_molecule_data_by_package_id(cls, package_id):
 
         inchi = Session.query(Molecules.inchi).filter(Molecules.id.in_(molecules_sub_query)).all()
         iupac_name = Session.query(Molecules.iupac_name).filter(Molecules.id.in_(molecules_sub_query)).all()
+        molecule_name = Session.query(Molecules.molecule_name).filter(Molecules.id.in_(molecules_sub_query)).all()
 
-        return inchi,iupac_name
+        return inchi,iupac_name, molecule_name
 
 
 
diff --git a/ckanext/rdkit_visuals/models/molecule_tab.py b/ckanext/rdkit_visuals/models/molecule_tab.py
index cd1e201..c21dccf 100644
--- a/ckanext/rdkit_visuals/models/molecule_tab.py
+++ b/ckanext/rdkit_visuals/models/molecule_tab.py
@@ -28,6 +28,7 @@ class Molecules(Base):
     mol_formula = Column(_types.String)
     iupac_name = Column(_types.String)
     alternate_names = Column(_types.String)
+    molecule_name = Column(_types.String)
 
     # Relationship with the Package model
     # package = relationship('Package')
@@ -35,7 +36,7 @@ class Molecules(Base):
     # Additional methods can be added here as needed
 
     @classmethod
-    def create(cls, inchi, smiles, inchi_key, exact_mass, mol_formula,iupac_name, alternate_names):
+    def create(cls, inchi, smiles, inchi_key, exact_mass, mol_formula,iupac_name, alternate_names, molecule_name):
         """
         Create a new Molecule entry and store it in the database.
 
@@ -55,7 +56,8 @@ def create(cls, inchi, smiles, inchi_key, exact_mass, mol_formula,iupac_name, al
             exact_mass=exact_mass,
             mol_formula=mol_formula,
             iupac_name = iupac_name,
-            alternate_names = alternate_names
+            alternate_names = alternate_names,
+            molecule_name = molecule_name
         )
         Session.add(new_molecule)
         Session.commit()
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 5ac0f4f..add9a98 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
@@ -1,6 +1,6 @@
 
 {% 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('mol_formula') } %}
-{% set mol_formula,exact_mass,inchi,iupac_name = h.get_molecule_data(package_id = pkg.get('id')) %}
+{% set mol_formula,exact_mass,inchi,iupac_name,molecule_name = h.get_molecule_data(package_id = pkg.get('id')) %}
 {% 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 alter_names = h.alternate_names(package_name = pkg.get('id')) %}
@@ -71,6 +71,13 @@ <h3>{{ _('Chemical Info') }}</h3>
            </tr>
          {% endif %}
 
+         {% 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 data_dict.smiles %}
            <tr>
               <th scope="row" class="dataset-label">{{ _("SMILES") }}</th>