Merge pull request uibcdf#16 from casuarioq/jc_proposal_remove_methods

Propousal for testing the recent removing methods

openpocket/tests/test_alphaspheres.py

@@ -21,3 +21,52 @@ def test_alphaspheres_original_points():
 
     assert alphaspheres.n_points == 6
 
+    assert alphaspheres.n_alpha_spheres == 4
+
+    centers = ([[ 6.5 ,  1.5 , -0.5 ],
+                [-0.25, -0.75,  1.75],
+                [ 0.5 ,  1.5 , -0.5 ],
+                [-1.5 ,  0.5 ,  0.5 ]])
+
+    assert np.allclose(centers, alphaspheres.centers)
+
+    radius_all = ([6.68954408, 1.92028644, 1.6583124 , 1.6583124 ])
+
+    assert np.allclose(radius_all, alphaspheres.radii)
+
+    points_of_alpha_sphere = ([[1, 2, 3, 4],
+                               [2, 3, 4, 5],
+                               [0, 1, 3, 4],
+                               [0, 3, 4, 5]])
+
+    assert np.allclose(points_of_alpha_sphere, alphaspheres.points_of_alpha_sphere)
+
+    merged_selected_point_indices = [0, 2, 3, 4, 5]
+
+    assert np.allclose(merged_selected_point_indices, alphaspheres.get_points_of_alpha_spheres([1,3]))
+
+    alphaspheres.remove_big_alpha_spheres(5.0)
+
+    assert alphaspheres.n_alpha_spheres == 3
+
+    remaining_no_big_raidus = ([1.92028644, 1.6583124 , 1.6583124 ])
+
+    assert np.allclose(remaining_no_big_raidus, alphaspheres.radii)
+
+    remaining_no_big_centers = ([[-0.25, -0.75,  1.75],
+                                [ 0.5 ,  1.5 , -0.5 ],
+                                [-1.5 ,  0.5 ,  0.5 ]])
+
+    assert np.allclose(remaining_no_big_centers, alphaspheres.centers)
+
+    alphaspheres.remove_small_alpha_spheres(1.66) 
+
+    assert alphaspheres.n_alpha_spheres == 1
+
+    remaining_no_small_raidus = ([1.92028644])
+
+    assert np.allclose(remaining_no_small_raidus, alphaspheres.radii)
+
+    remaining_no_small_centers= ([[-0.25, -0.75,  1.75]])
+
+    assert np.allclose(remaining_no_small_centers, alphaspheres.centers)