change compound features selection for the PCA

Former-commit-id: 1238d7d963ed74e098df7ab4e0330d7a11b020ea

ippisite/ippidb/management/commands/pca.py

@@ -29,6 +29,12 @@ class Command(BaseCommand):
                     'randic_index', 'rdf070m', 'rotatable_bond_fraction', 
                     'sum_atom_polar', 'sum_atom_vol_vdw', 'tpsa', 'ui', 
                     'wiener_index']
+        features = ['molecular_weight', 'a_log_p', 'nb_donor_h',
+                    'nb_acceptor_h', 'tpsa', 'nb_rotatable_bonds',
+                    'nb_benzene_like_rings', 'fsp3', 'nb_chiral_centers',
+                    'nb_csp3', 'nb_atom', 'nb_bonds', 'nb_atom_non_h',
+                    'nb_rings', 'nb_multiple_bonds',
+                    'nb_aromatic_bonds', 'aromatic_ratio'] #MISSING: ArRing - Number of Aromatic ring
         PcaBiplotData.objects.all().delete()
         self.stdout.write(
             self.style.SUCCESS('Successfully flushed PCA biplot data'))