run update_compound_cached_properties if testing physiochem filters

ippisite/ippidb/tests.py

@@ -11,7 +11,7 @@ from openbabel import vectorUnsignedInt, OBFingerprint
 
 from ippidb import ws
 from ippidb.ws import get_uniprot_info
-from .models import Compound, CompoundTanimoto, create_tanimoto
+from .models import Compound, CompoundTanimoto, create_tanimoto, update_compound_cached_properties
 from .models import DrugBankCompound
 from .utils import FingerPrinter, mol2smi, smi2mol, smi2inchi, smi2inchikey
 
@@ -210,6 +210,7 @@ class CompoundAnnotationsTestCase(TestCase):
         # AlogP <= 5
         c.a_log_p = 4
         c.save()
+        update_compound_cached_properties()
         c = Compound.objects.get(id=1)
         self.assertTrue(c.lipinsky_mw)
         self.assertTrue(c.lipinsky_hba)
@@ -229,6 +230,7 @@ class CompoundAnnotationsTestCase(TestCase):
         # AlogP > 5
         c.a_log_p = 7
         c.save()
+        update_compound_cached_properties()
         c = Compound.objects.get(id=1)
         self.assertFalse(c.lipinsky_mw)
         self.assertFalse(c.lipinsky_hba)
@@ -247,6 +249,7 @@ class CompoundAnnotationsTestCase(TestCase):
         # RB <= 10
         c.nb_rotatable_bonds = 9
         c.save()
+        update_compound_cached_properties()
         c = Compound.objects.get(id=1)
         self.assertTrue(c.veber_hba_hbd)
         self.assertTrue(c.veber_tpsa)
@@ -264,6 +267,7 @@ class CompoundAnnotationsTestCase(TestCase):
         # RB > 10
         c.nb_rotatable_bonds = 11
         c.save()
+        update_compound_cached_properties()
         c = Compound.objects.get(id=1)
         self.assertFalse(c.veber_hba_hbd)
         self.assertFalse(c.veber_tpsa)
@@ -278,6 +282,7 @@ class CompoundAnnotationsTestCase(TestCase):
         # TPSA >=75
         c.tpsa = 80
         c.save()
+        update_compound_cached_properties()
         c = Compound.objects.get(id=1)
         self.assertTrue(c.pfizer_a_log_p)
         self.assertTrue(c.pfizer_tpsa)
@@ -291,6 +296,7 @@ class CompoundAnnotationsTestCase(TestCase):
         # TPSA <75
         c.tpsa = 8
         c.save()
+        update_compound_cached_properties()
         c = Compound.objects.get(id=1)
         self.assertFalse(c.pfizer_a_log_p)
         self.assertFalse(c.pfizer_tpsa)