def test_distances_periodic(): coords = np.array([[0.0, 0.0, 0.0], [0.0, 0.9, 0.0], [0.0, 0.2, 0.0]]) coords = np.random.random((1000, 3)) periodic = np.array([1.0, 1.0, 1.0]) cutoff = 0.1 # Consistency checks dist_simple = distance_matrix(coords, coords, periodic=periodic) dist_dask = distance_matrix(da.from_array(coords, chunks=100), da.from_array(coords, chunks=100), da.from_array(periodic, chunks=3)) assert np.allclose(dist_dask, dist_simple)
def test_distances_periodic(): coords = np.array([[0.0, 0.0, 0.0], [0.0, 0.9, 0.0], [0.0, 0.2, 0.0]]) coords = np.random.random((1000, 3)) periodic = np.array([1.0, 1.0, 1.0]) cutoff = 0.1 # Consistency checks dist_simple = distance_matrix(coords, coords, periodic=periodic)