fix compound card page if LE-LLE or PCA data not avail.

FIX #242

ippisite/ippidb/templates/compound_card.html

@@ -313,6 +313,7 @@
             </div>
           </div>
         </div>
+        {% if pca_biplot_data %}
         <div class="row d-flex justify-content-center">
           <div class="col-sm-12 col-md-9">
             <h5 class="card_title">PCA : iPPI-DB chemical space</h5>
@@ -331,8 +332,10 @@
             </div>
           </div>
         </div>
+        {% endif %}
       </div>
       <div class="tab-pane fade" id="pharmacology" role="tabpanel" aria-labelledby="pharmacology-tab">
+        {% if le_lle_biplot_data %}
         <div class="row d-flex justify-content-center">
           <div class="col-sm-12 col-md-9" style="margin: 10px;">
             <h5 class="card_title">Efficiencies: iPPI-DB biplot LE versus LLE <span class="info_point"
@@ -371,7 +374,9 @@
               </script>
             </div>
           </div>
+
         </div>
+        {% endif %}
         <div class="row d-flex justify-content-center">
           <div class="col-sm-12 col-md-9" style="margin: 10px;">
             <h5 class="card_title">Summary</h5>

ippisite/ippidb/tests/tests.py

@@ -10,7 +10,6 @@ from django.test import TestCase
 from django.urls import reverse
 import requests
 
-
 from ippidb import models
 from ippidb.ws import (
     get_uniprot_info,
@@ -38,6 +37,7 @@ from ippidb.models import (
     DrugBankCompound,
     Protein,
 )
+from .utils import create_dummy_compound, create_dummy_drugbank_compound
 
 
 class MolSmiTestCase(TestCase):
@@ -94,65 +94,6 @@ class MolSmiTestCase(TestCase):
         self.assertEqual(response.status_code, 400)
 
 
-def create_dummy_compound(id_, smiles):
-    c = Compound()
-    c.id = id_
-    c.canonical_smile = smiles
-    c.is_macrocycle = True
-    c.aromatic_ratio = 0.0
-    c.balaban_index = 0.0
-    c.fsp3 = 0.0
-    c.gc_molar_refractivity = 0.0
-    c.log_d = 0.0
-    c.a_log_p = 0.0
-    c.gc_molar_refractivity = 0.0
-    c.mean_atom_vol_vdw = 0.0
-    c.molecular_weight = 0.0
-    c.nb_acceptor_h = 0
-    c.nb_aliphatic_amines = 0
-    c.nb_aromatic_bonds = 0
-    c.nb_aromatic_ether = 0
-    c.nb_aromatic_sssr = 0
-    c.nb_atom = 0
-    c.nb_atom_non_h = 0
-    c.nb_benzene_like_rings = 0
-    c.nb_bonds = 0
-    c.nb_bonds_non_h = 0
-    c.nb_br = 0
-    c.nb_c = 0
-    c.nb_chiral_centers = 0
-    c.nb_circuits = 0
-    c.nb_cl = 0
-    c.nb_csp2 = 0
-    c.nb_csp3 = 0
-    c.nb_donor_h = 0
-    c.nb_double_bonds = 0
-    c.nb_f = 0
-    c.nb_i = 0
-    c.nb_multiple_bonds = 0
-    c.nb_n = 0
-    c.nb_o = 0
-    c.nb_rings = 0
-    c.nb_rotatable_bonds = 0
-    c.randic_index = 0
-    c.rdf070m = 0
-    c.rotatable_bond_fraction = 0
-    c.sum_atom_polar = 0
-    c.sum_atom_vol_vdw = 0
-    c.tpsa = 0
-    c.ui = 0
-    c.wiener_index = 0
-    c.save(autofill=True)
-    return c
-
-
-def create_dummy_drugbank_compound(id_, smiles):
-    dbc = DrugBankCompound()
-    dbc.id = id_
-    dbc.common_name = "DrugBankCompound" + str(id_)
-    dbc.canonical_smiles = smiles
-    dbc.save()
-
 
 class CompoundTanimotoTestCase(TestCase):
     def setUp(self):

ippisite/ippidb/tests/tests_views.py

@@ -3,8 +3,11 @@ iPPI-DB views tests
 """
 from django.test import TestCase
 from django.urls import reverse
+from django.core.management import call_command
 from parameterized import parameterized
 
+from .utils import create_dummy_compound
+
 tested_urlpatterns = [
     "index",
     "general",
@@ -37,3 +40,32 @@ class ViewTest(TestCase):
     def test_url(self, url_name):
         response = self.client.get(reverse(url_name))
         self.assertEqual(response.status_code, 200)
+
+
+class CompoundCardViewTest(TestCase):
+    """
+    Tests for compound card
+    """
+
+    def setUp(self):
+        create_dummy_compound(1, "CC")
+
+    def test_compound_card(self):
+        """
+        basic test for compound card
+        """
+
+        call_command("lle_le")
+        call_command("pca")
+        response = self.client.get(reverse("compound_card", kwargs={"pk": 1}))
+        self.assertEqual(response.status_code, 200)
+
+
+    def test_compound_card_no_lelleplot_data(self):
+        """
+        test that compound card is ok even if LE-LLE plot
+        data are missing (which can happen during LE-LLE recomputing)
+        """
+
+        response = self.client.get(reverse("compound_card", kwargs={"pk": 1}))
+        self.assertEqual(response.status_code, 200)

ippisite/ippidb/tests/utils.py

+from ippidb.models import Compound, DrugBankCompound
+
+
+def create_dummy_compound(id_, smiles):
+    c = Compound()
+    c.id = id_
+    c.canonical_smile = smiles
+    c.is_macrocycle = True
+    c.aromatic_ratio = 0.0
+    c.balaban_index = 0.0
+    c.fsp3 = 0.0
+    c.gc_molar_refractivity = 0.0
+    c.log_d = 0.0
+    c.a_log_p = 0.0
+    c.gc_molar_refractivity = 0.0
+    c.mean_atom_vol_vdw = 0.0
+    c.molecular_weight = 0.0
+    c.nb_acceptor_h = 0
+    c.nb_aliphatic_amines = 0
+    c.nb_aromatic_bonds = 0
+    c.nb_aromatic_ether = 0
+    c.nb_aromatic_sssr = 0
+    c.nb_atom = 0
+    c.nb_atom_non_h = 0
+    c.nb_benzene_like_rings = 0
+    c.nb_bonds = 0
+    c.nb_bonds_non_h = 0
+    c.nb_br = 0
+    c.nb_c = 0
+    c.nb_chiral_centers = 0
+    c.nb_circuits = 0
+    c.nb_cl = 0
+    c.nb_csp2 = 0
+    c.nb_csp3 = 0
+    c.nb_donor_h = 0
+    c.nb_double_bonds = 0
+    c.nb_f = 0
+    c.nb_i = 0
+    c.nb_multiple_bonds = 0
+    c.nb_n = 0
+    c.nb_o = 0
+    c.nb_rings = 0
+    c.nb_rotatable_bonds = 0
+    c.randic_index = 0
+    c.rdf070m = 0
+    c.rotatable_bond_fraction = 0
+    c.sum_atom_polar = 0
+    c.sum_atom_vol_vdw = 0
+    c.tpsa = 0
+    c.ui = 0
+    c.wiener_index = 0
+    c.save(autofill=True)
+    return c
+
+
+def create_dummy_drugbank_compound(id_, smiles):
+    dbc = DrugBankCompound()
+    dbc.id = id_
+    dbc.common_name = "DrugBankCompound" + str(id_)
+    dbc.canonical_smiles = smiles
+    dbc.save()

ippisite/ippidb/views/compound_query.py

@@ -759,9 +759,17 @@ class CompoundDetailView(DetailView):
 
     def get_context_data(self, **kwargs):
         context = super().get_context_data(**kwargs)
-        context["le_lle_biplot_data"] = LeLleBiplotData.objects.get().le_lle_biplot_data
-        pca_biplot = json.loads(PcaBiplotData.objects.get().pca_biplot_data)
-        context["pca_biplot_data"] = json.dumps(pca_biplot["data"])
+        try:
+            context[
+                "le_lle_biplot_data"
+            ] = LeLleBiplotData.objects.get().le_lle_biplot_data
+        except LeLleBiplotData.DoesNotExist:
+            context["le_lle_biplot_data"] = []
+        try:
+            pca_biplot = json.loads(PcaBiplotData.objects.get().pca_biplot_data)
+        except PcaBiplotData.DoesNotExist:
+            pca_biplot = {"data": [], "correlation_circle": ""}
+        context["pca_biplot_data"] = pca_biplot["data"]
         context["pca_biplot_cc"] = pca_biplot["correlation_circle"]
         return context