add methods to retrieve complexes

from PPI, CompoundAction, TestActivityDescription
fixes #37

ippisite/ippidb/models.py

@@ -156,6 +156,19 @@ class Ppi(models.Model):
     def __str__(self):
         return '{} PPI, PDB:{}'.format(self.symmetry.description, self.pdb_id or 'unknown')
 
+    def get_ppi_complexes(self):
+        """
+        return all ppi complexes belonging to this ppi
+        """
+        return PpiComplex.objects.filter(ppi=self)
+
+    def get_ppi_bound_complexes(self):
+        """
+        return bound ppi complexes belonging to this ppi
+        """
+        #this is the less efficient query ever seen, FIXME
+        return PpiComplex.objects.filter(ppi=self, complex__in=ProteinDomainBoundComplex.objects.all())
+
 class PpiComplex(models.Model):
     ppi = models.ForeignKey(Ppi)
     complex = models.ForeignKey(ProteinDomainComplex)
@@ -281,11 +294,14 @@ class TestActivityDescription(models.Model):
     cell_line = models.ForeignKey(CellLine)
 
     def get_complexes(self):
-        return None
-        # if test_modulation_type is Binding, return all bound complexes for the Ppi
-        # if test_modulation_type is Inhibition, return all Ppi complexes
-        # if test_modulation_type is Stabilization, return all bound complexes for the Ppi
-        # this should be added to the Ppi class as well
+        """
+        get the complexes tested for this PPI
+        depends on the modulation type
+        """
+        if self.test_modulation_type=='I':
+            return self.ppi.get_ppi_complexes()
+        else:
+            return self.ppi.get_ppi_bound_complexes()
 
 class CompoundActivityResult(models.Model):
     MODULATION_TYPES = (
@@ -364,9 +380,11 @@ class CmpdAction(models.Model):
         unique_together = (('ppi', 'compound', 'activation_mode', 'pdb_id'),)
 
     def get_complexes(self):
-        return None
-        # return all bound complexes for the Ppi
-        # this should be added to the Ppi class as well
+        """
+        get the complexes involved in the compound action
+        which are always the bound complexes
+        """
+        return ppi.get_ppi_bound_complexes()
 
 class RefCompoundBiblio(models.Model):
     compound = models.ForeignKey(Compound)