Merge pull request #34 from bp-kelley/fix/options-in-test

Update tests to support new options
rdkit · Aug 24, 2021 · 29b44a0 · 29b44a0
2 parents c73f81e + 377b290
commit 29b44a0
Showing 1 changed file with 10 additions and 8 deletions.
diff --git a/tests/test_index-preV2-2.py b/tests/test_index-preV2-2.py
@@ -60,8 +60,9 @@ def _get_options(self, *args):
     def test_default_filters(self):
         dataset, options = self._get_options()
         self.assertEqual(options,
-                         {u'symmetric': False,
-                          u'max_variable_heavies': 10})
+                         {u'max_variable_heavies': 10,
+                          u'symmetric': False,
+                          u'smallest_transformation_only': False})
         self.assertEqual(dataset.get_num_rules(), 47)
         self.assertEqual(dataset.get_num_pairs(), 342)
         self.assertEqual(dataset.get_property_names(), [])
@@ -76,13 +77,14 @@ def test_set_filters(self):
             "--symmetric",
             "--max-frac-trans", "3")
         self.assertEqual(options, {
-            u'symmetric': True,
-            u'max_frac_trans': 3.0,
-            u'max_heavies_transf': 25,
+            u'min_variable_heavies': 1,
             u'max_variable_heavies': 29,
+            u'min_variable_ratio': 0.1,
             u'max_variable_ratio': 0.99,
-            u'min_variable_heavies': 1,
-            u'min_variable_ratio': 0.1})
+            u'symmetric': True,
+            u'max_heavies_transf': 25,
+            u'max_frac_trans': 3.0,
+            u'smallest_transformation_only': False})
         self.assertEqual(dataset.get_num_rules(), 2*47) # because --symmetric
         self.assertEqual(dataset.get_num_pairs(), 2*342) 
         self.assertEqual(dataset.get_property_names(), [])
@@ -91,7 +93,7 @@ def test_max_variable_heavies_none(self):
         dataset, options = self._get_options("--max-variable-heavies", "none")
         self.assertEqual(options, {
             u'symmetric': False,
-            })
+            u'smallest_transformation_only': False})
 
     def test_with_properties(self):
         dataset, options = self._get_options("--properties", TEST_DATA_CSV, "--title", "test data")