test parameters now inputs and parameters, intermediate commit for refactoring grid tests

Author: yucongalicechen

src/diffpy/labpdfproc/functions.py

@@ -23,7 +23,7 @@ def _get_grid_points(self):
         """
         xs = np.linspace(-self.radius, self.radius, self.npoints)
         ys = np.linspace(-self.radius, self.radius, self.npoints)
-        self.grid = [(x, y) for x in xs for y in ys if x**2 + y**2 <= self.radius**2]
+        self.grid = {(x, y) for x in xs for y in ys if x**2 + y**2 <= self.radius**2}
         self.total_points_in_grid = len(self.grid)
 
     # def get_coordinate_index(self, coordinate):  # I think we probably dont need this function?

src/diffpy/labpdfproc/tests/test_functions.py

@@ -4,24 +4,19 @@
 
 # Define test parameters
 params1 = [
-    ([0.5, 3, 1, {(0.0, -0.5), (0.0, 0.0), (-0.5, 0.0), (0.5, 0.0), (0.0, 0.5)}, 5]),
-    ([1, 4, 1, {(-0.333333, -0.333333), (0.333333, -0.333333), (-0.333333, 0.333333), (0.333333, 0.333333)}, 4]),
+    ([0.5, 3, 1], {(0.0, -0.5), (0.0, 0.0), (0.5, 0.0), (-0.5, 0.0), (0.0, 0.5)}),
+    ([1, 4, 1], {(-0.333333, -0.333333), (0.333333, -0.333333), (-0.333333, 0.333333), (0.333333, 0.333333)}),
 ]
 
 
 # Define the test function
-@pytest.mark.parametrize("params1", params1)
-def test_get_grid_points(params1):
-    radius, n_points_on_diameter, mu, expected_grid, expected_total_points = params1
+@pytest.mark.parametrize("inputs, expected", params1)
+def test_get_grid_points(inputs, expected):
+    expected_grid = expected
+    actual_gs = Gridded_circle(radius=inputs[0], n_points_on_diameter=inputs[1], mu=inputs[2])
+    assert actual_gs.grid == expected_grid
 
-    # Perform the test
-    actual_gs = Gridded_circle(radius=radius, n_points_on_diameter=n_points_on_diameter, mu=mu)
 
-    # Sort both sets of points to compare
-    actual_grid_sorted = sorted(actual_gs.grid)
-    expected_grid_sorted = sorted(expected_grid)
-
-    # Assertions
-    assert actual_gs.total_points_in_grid == expected_total_points
-    for actual_point, expected_point in zip(actual_grid_sorted, expected_grid_sorted):
-        assert actual_point == pytest.approx(expected_point, rel=1e-4, abs=1e-6)
+#    assert actual_gs.grid == pytest.approx(expected_grid)
+# for actual_point, expected_point in zip(actual_grid_sorted, expected_grid_sorted):
+#     assert actual_point == pytest.approx(expected_point, rel=1e-4, abs=1e-6)