set output test angles to be -180

GOMC-WSU · Oct 23, 2023 · 9517dbd · 9517dbd
1 parent e444a81
commit 9517dbd
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/mosdef_dihedral_fit/tests/test_file_read_write.py b/mosdef_dihedral_fit/tests/test_file_read_write.py
@@ -309,14 +309,14 @@ def test_get_matching_dihedral_info_and_opls_fitting_data(self):
         assert np.shape(coordsList) == (37, 9, 4, 3)
         degreesList = out[3]
         expected_degrees = [
-            180.0,
+            -180.0,
             -60.00001300151252,
             60.00001300151252,
             -60.00001300151252,
             59.99997399697496,
-            180.0,
+            -180.0,
             60.00001300151252,
-            180.0,
+            -180.0,
             -59.99997399697496,
         ]
         assert np.allclose(degreesList[0], expected_degrees)