def test_cell_distances1_exclude_b():
cell = Cell(np.zeros((0,3),float))
pos0 = np.array([
[1.0, 0.0, 0.0],
[0.0, 0.0, 0.0],
[2.0, 0.0, 0.0],
])
# Zeroth
output = np.zeros(3, float)
cell.compute_distances(output, pos0)
assert output[0] == 1
assert output[1] == 1
assert output[2] == 2
# First
output = np.zeros(2, float)
exclude = np.array([[1,0]])
cell.compute_distances(output, pos0, pairs=exclude)
assert output[0] == 1
assert output[1] == 2
# Second
output = np.zeros(1, float)
exclude = np.array([[1,0],[2,1]])
cell.compute_distances(output, pos0, pairs=exclude)
assert output[0] == 1
# Third
output = np.zeros(1, float)
exclude = np.array([[2,1],[1,0]])
with assert_raises(ValueError):
cell.compute_distances(output, pos0, pairs=exclude)
def test_cell_distances2_exclude_a():
cell = Cell(np.zeros((0, 3), float))
pos0 = np.array([
[0.0, 0.0, 0.0],
])
pos1 = np.array([
[0.0, 0.0, 1.0],
])
# Zeroth
output = np.zeros(1, float)
cell.compute_distances(output, pos0, pos1)
assert output[0] == 1
# First
output = np.zeros(0, float)
exclude = np.array([[0, 0]])
cell.compute_distances(output, pos0, pos1, pairs=exclude)
# Second
output = np.zeros(0, float)
for exclude in np.array([[-1, 0]]), np.array([[0, -1]]), np.array(
[[0, 5]]), np.array([[1, 0]]):
print exclude
try:
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert False
except ValueError:
pass
def test_cell_distances1_exclude_a():
cell = Cell(np.zeros((0, 3), float))
pos0 = np.array([
[1.0, 0.0, 0.0],
[0.0, 0.0, 0.0],
])
# First
output = np.zeros(1, float)
exclude = np.zeros((0, 2), int)
cell.compute_distances(output, pos0, pairs=exclude)
assert output[0] == 1
# Second
output = np.zeros(0, float)
exclude = np.array([[1, 0]])
cell.compute_distances(output, pos0, pairs=exclude)
# Third
output = np.zeros(0, float)
exclude = np.array([[0, 1]])
try:
cell.compute_distances(output, pos0, pairs=exclude)
assert False
except ValueError:
pass
def test_cell_distances2_exclude_a():
cell = Cell(np.zeros((0,3),float))
pos0 = np.array([
[0.0, 0.0, 0.0],
])
pos1 = np.array([
[0.0, 0.0, 1.0],
])
# Zeroth
output = np.zeros(1, float)
cell.compute_distances(output, pos0, pos1)
assert output[0] == 1
# First
output = np.zeros(0, float)
exclude = np.array([[0,0]])
cell.compute_distances(output, pos0, pos1, pairs=exclude)
# Second
output = np.zeros(0, float)
for exclude in np.array([[-1,0]]), np.array([[0,-1]]), np.array([[0,5]]), np.array([[1,0]]):
print exclude
try:
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert False
except ValueError:
pass
def test_cell_distances1_exclude_a():
cell = Cell(np.zeros((0,3),float))
pos0 = np.array([
[1.0, 0.0, 0.0],
[0.0, 0.0, 0.0],
])
# First
output = np.zeros(1, float)
exclude = np.zeros((0,2),int)
cell.compute_distances(output, pos0, pairs=exclude)
assert output[0] == 1
# Second
output = np.zeros(0, float)
exclude = np.array([[1,0]])
cell.compute_distances(output, pos0, pairs=exclude)
# Third
output = np.zeros(0, float)
exclude = np.array([[0,1]])
try:
cell.compute_distances(output, pos0, pairs=exclude)
assert False
except ValueError:
pass
def test_cell_distances2_exclude_b():
cell = Cell(np.zeros((0, 3), float))
pos0 = np.array([
[0.0, 0.0, 0.0],
[0.0, 0.0, 1.0],
])
pos1 = np.array([
[0.0, 0.0, 1.0],
[0.0, 0.0, 2.0],
])
# Zeroth
output = np.zeros(4, float)
cell.compute_distances(output, pos0, pos1)
assert output[0] == 1
assert output[1] == 2
assert output[2] == 0
assert output[3] == 1
# First
output = np.zeros(3, float)
exclude = np.array([[0, 0]])
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert output[0] == 2
assert output[1] == 0
assert output[2] == 1
# Second
output = np.zeros(2, float)
exclude = np.array([[0, 0], [1, 1]])
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert output[0] == 2
assert output[1] == 0
# Third
output = np.zeros(2, float)
for exclude in np.array([[1, 0], [0, 1]]), np.array([[1, 0], [0, 0]]):
try:
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert False
except ValueError:
pass
def test_cell_distances2_exclude_b():
cell = Cell(np.zeros((0,3),float))
pos0 = np.array([
[0.0, 0.0, 0.0],
[0.0, 0.0, 1.0],
])
pos1 = np.array([
[0.0, 0.0, 1.0],
[0.0, 0.0, 2.0],
])
# Zeroth
output = np.zeros(4, float)
cell.compute_distances(output, pos0, pos1)
assert output[0] == 1
assert output[1] == 2
assert output[2] == 0
assert output[3] == 1
# First
output = np.zeros(3, float)
exclude = np.array([[0,0]])
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert output[0] == 2
assert output[1] == 0
assert output[2] == 1
# Second
output = np.zeros(2, float)
exclude = np.array([[0,0],[1,1]])
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert output[0] == 2
assert output[1] == 0
# Third
output = np.zeros(2, float)
for exclude in np.array([[1,0],[0,1]]), np.array([[1,0],[0,0]]):
try:
cell.compute_distances(output, pos0, pos1, pairs=exclude)
assert False
except ValueError:
pass
