fix bioschemas syntax for compound card

we now generate all of bioschemas json from the model.
also related to #267 and #268.

ippisite/ippidb/models.py

@@ -1089,7 +1089,7 @@ class Compound(AutoFillableModel):
         """
         String representation
         """
-        return "Compound #{}".format(self.id)
+        return "iPPI-DB Compound #{}".format(self.id)
 
     def get_absolute_url(self):
         """
@@ -1165,6 +1165,30 @@ class Compound(AutoFillableModel):
             urls.append(self.drugbank_url)
         return urls
 
+    def get_bioschemas(self, request):
+        json_data = {
+            "@type": "MolecularEntity",
+            "@context": "http://schema.org"
+        }
+        json_data['name'] = str(self)
+        if self.pk is not None:
+            json_data['url'] = request.build_absolute_uri(self.get_absolute_url())
+        if self.inchi is not None:
+            json_data['inChI'] = self.inchi
+        if self.iupac_name != "":
+            json_data['iupacName'] = self.iupac_name
+        if self.molecular_weight is not None:
+            json_data['molecularWeight'] = self.molecular_weight
+        if self.inchikey is not None:
+            json_data['inChIKey'] = self.inchikey
+        if self.chembl_id is not None:
+            json_data['image'] = f"https://www.ebi.ac.uk/chembl/api/data/image/{ self.chembl_id }.svg" 
+        if self.canonical_smile is not None:
+            json_data['smiles'] = self.canonical_smile
+        if len(self.sameas_urls)>0:
+            json_data['sameAs'] = self.sameas_urls
+        return json_data
+
     def clean(self):
         """
         Perform additional checks:

ippisite/ippidb/templates/compound_card.html

@@ -557,42 +557,7 @@
 
   </div>
 </div>
-<script id='JSON_LD' type="application/ld+json">
-
-  {
-"url": "{{ request.build_absolute_uri }}",
-{% if compound.inchi %}
-"inChI": "{{ compound.inchi }}",
-{% endif %}
-{% if compound.iupac_name %}
-"name": "{{ compound.iupac_name }}",
-{% endif %}
-{% if compound.iupac_name %}
-"iupacName": "{{ compound.iupac_name }}",
-{% endif %}
-{% if compound.molecular_weight %}
-"molecularWeight": {{ compound.molecular_weight }},
-{% endif %}
-"identifier": "{{ compound.id }}",
-{% if compound.inchikey %}
-"inChIKey": "{{ compound.inchikey }}",
-{% endif %}
-"@type": "MolecularEntity",
-{% if compound.chembl_id %}
-"image": "https://www.ebi.ac.uk/chembl/api/data/image/{{ compound.chembl_id }}.svg",
-{% endif %}
-{% if compound.canonical_smile %}
-"smiles": [
-  "{{ compound.canonical_smile|escapejs }}"
-],
-{% endif %}
-{% if compound.sameas_urls %}
-"sameAs": {{ compound.sameas_urls|safe }},
-{% endif %}
-"@context": "http://schema.org"
-}
-
-</script>
+{{ bioschemas_data|json_script:compound }}
 <script>
   var showTab = function (hash) {
     window.location.hash = hash;

ippisite/ippidb/views/compound_query.py

@@ -771,6 +771,7 @@ class CompoundDetailView(DetailView):
             pca_biplot = {"data": [], "correlation_circle": ""}
         context["pca_biplot_data"] = pca_biplot["data"]
         context["pca_biplot_cc"] = pca_biplot["correlation_circle"]
+        context["bioschemas_data"] = self.object.get_bioschemas(self.request)
         return context