def test_searchpairs(b, radius, result):
b = np.array(b, dtype=np.float32)
cutoff = 2.0
coords = transform_StoR(f_dataset, b)
tree = PeriodicKDTree(box=b)
tree.set_coords(coords, cutoff=cutoff)
if cutoff < radius:
with pytest.raises(RuntimeError, match=result):
indices = tree.search_pairs(radius)
else:
indices = tree.search_pairs(radius)
assert_equal(len(indices), len(result))
def test_searchpairs(b, radius, result):
b = np.array(b, dtype=np.float32)
cutoff = 2.0
coords = transform_StoR(f_dataset, b)
tree = PeriodicKDTree(box=b)
tree.set_coords(coords, cutoff=cutoff)
if cutoff < radius:
with pytest.raises(RuntimeError, match=result):
indices = tree.search_pairs(radius)
else:
indices = tree.search_pairs(radius)
assert_equal(len(indices), len(result))
def test_ckd_searchpairs_nopbc(radius, result):
coords = f_dataset.copy()
tree = PeriodicKDTree()
tree.set_coords(coords)
indices = tree.search_pairs(radius)
assert_equal(indices, result)
def test_ckd_searchpairs_nopbc(radius, result):
coords = f_dataset.copy()
tree = PeriodicKDTree()
tree.set_coords(coords)
indices = tree.search_pairs(radius)
assert_equal(indices, result)