[thermo] adding exception tests for single trajectories and md_trajs/…

…md_dtrajs None cases
gph82 · Jun 13, 2016 · 090b80b · 090b80b
1 parent b68fabc
commit 090b80b
Showing 1 changed file with 17 additions and 1 deletion.
diff --git a/pyemma/thermo/tests/test_api.py b/pyemma/thermo/tests/test_api.py
@@ -74,5 +74,21 @@ def test_exceptions(self):
             estimate_umbrella_sampling(
                 us_trajs, us_dtrajs, us_centers, us_force_constants,
                 md_trajs=md_trajs_x, md_dtrajs=md_dtrajs)
-
+        # unmatching md_trajs/md_dtrajs cases
+        with self.assertRaises(ValueError):
+            estimate_umbrella_sampling(
+                us_trajs, us_dtrajs, us_centers, us_force_constants,
+                md_trajs=None, md_dtrajs=md_dtrajs)
+        with self.assertRaises(ValueError):
+            estimate_umbrella_sampling(
+                us_trajs, us_dtrajs, us_centers, us_force_constants,
+                md_trajs=md_trajs, md_dtrajs=None)
+        # single trajectory cases
+        with self.assertRaises(ValueError):
+            estimate_umbrella_sampling(
+                us_trajs[0], us_dtrajs[0], us_centers[0], us_force_constants[0])
+        with self.assertRaises(ValueError):
+            estimate_umbrella_sampling(
+                us_trajs, us_dtrajs, us_centers, us_force_constants,
+                md_trajs=md_trajs[0], md_dtrajs=md_dtrajs[0])