intermediate commit: passing assertion, but may need advice on testing parameters

Author: yucongalicechen

src/diffpy/labpdfproc/tests/test_functions.py

@@ -21,7 +21,10 @@ def test_get_grid_points(inputs, expected):
 params2 = [
     ([1, 3, 1, 45], [0, 1.4142135, 1.4142135, 2, 2]),
     ([1, 3, 1, 90], [0, 0, 2, 2, 2]),
-    ([1, 3, 1, 140], [0, 2, 0, 3.532, 1.2855]),
+    ([1, 3, 1, 120], [0, 0, 2, 3, 1.73205]),
+    ([1, 4, 1, 30], [2.057347, 2.044451, 1.621801, 1.813330]),
+    ([1, 4, 1, 90], [1.885618, 1.885618, 2.552285, 1.218951]),
+    ([1, 4, 1, 140], [1.139021, 2.200102, 2.744909, 1.451264]),
 ]
 
 
@@ -30,4 +33,6 @@ def test_set_distances_at_angle(inputs, expected):
     expected_distances = expected
     actual_gs = Gridded_circle(radius=inputs[0], n_points_on_diameter=inputs[1], mu=inputs[2])
     actual_gs.set_distances_at_angle(inputs[3])
-    assert actual_gs.distances == pytest.approx(expected_distances, rel=1e-4, abs=1e-6)
+    actual_distances_sorted = sorted(actual_gs.distances)
+    expected_distances_sorted = sorted(expected_distances)
+    assert actual_distances_sorted == pytest.approx(expected_distances_sorted, rel=1e-4, abs=1e-6)