Merge pull request #15 from yucongalicechen/gridpts

Tests for grid points

Author: sbillinge

src/diffpy/labpdfproc/functions.py

@@ -24,7 +24,7 @@ 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

@@ -0,0 +1,18 @@
+import pytest
+
+from diffpy.labpdfproc.functions import Gridded_circle
+
+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)}),
+    ([1, 4, 1], {(-0.333333, -0.333333), (0.333333, -0.333333), (-0.333333, 0.333333), (0.333333, 0.333333)}),
+]
+
+
+@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])
+    actual_grid_sorted = sorted(actual_gs.grid)
+    expected_grid_sorted = sorted(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)