fix python vina.set_weights for AD4 scoring

ccsb-scripps · Jan 17, 2025 · 88ebb4f · 88ebb4f
1 parent 93a4816
commit 88ebb4f
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/build/python/vina/vina.py b/build/python/vina/vina.py
@@ -222,10 +222,10 @@ def set_weights(self, weights):
         else:
             if len(weights) != 6:
                 raise ValueError('Error: Number of weights does not correspond to AD4 or Vinardo scoring function.')
-                if self._sf_name == 'ad4':
-                    self._vina.set_ad4_weights(*weights)
-                else:
-                    self._vina.set_vinardo_weights(*weights)
+            if self._sf_name == 'ad4':
+                self._vina.set_ad4_weights(*weights)
+            else:
+                self._vina.set_vinardo_weights(*weights)
 
         self._weights = weights