Handle inconsistency of test_conformer_setter

martimunicoy · Oct 15, 2020 · 896a705 · 896a705
1 parent a795f04
commit 896a705
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/offpele/tests/test_toolkits.py b/offpele/tests/test_toolkits.py
@@ -314,6 +314,11 @@ def test_conformer_setter(self):
         initial_theta = Chem.rdMolTransforms.GetDihedralDeg(conformer,
                                                             *dihedral)
 
+        if initial_theta < -179:
+            initial_theta += 180.0
+        elif initial_theta > 179:
+            initial_theta -= 180.0
+
         assert abs(initial_theta - -0.002) < 10e-3, \
             'Unexpected initial theta value'