def test_pbc():
periodic = np.array([1, 1, 1])
coordinates = np.array([[0.1, 0.0, 0.0], [1.1, 0.0, 0.0]])
mi = minimum_image(coordinates, periodic)
npeq_(mi, np.array([[0.1, 0.0, 0.0], [0.1, 0.0, 0.0]]))
coordinates = np.array([[0.1, 0.0, 0.0], [0.9, 0.0, 0.0]])
coordinates_nop = noperiodic(coordinates, periodic)
npeq_(coordinates_nop, np.array([[0.1, 0.0, 0.0], [-0.1, 0.0, 0.0]]))
def test_pbc():
periodic = np.array([1, 1, 1])
coordinates = np.array([[0.1, 0.0, 0.0],
[1.1, 0.0, 0.0]])
mi = minimum_image(coordinates, periodic)
npeq_(mi, np.array([[0.1, 0.0, 0.0], [0.1, 0.0, 0.0]]))
coordinates = np.array([[0.1, 0.0, 0.0],
[0.9, 0.0, 0.0]])
coordinates_nop = noperiodic(coordinates, periodic)
npeq_(coordinates_nop, np.array([[0.1, 0.0, 0.0], [-0.1, 0.0, 0.0]]))
def test_pbc():
periodic = np.array([1, 1, 1])
coordinates = np.array([[0.1, 0.0, 0.0],
[1.1, 0.0, 0.0]])
mi = pbc.minimum_image(coordinates, periodic)
assert np.allclose(mi, np.array([[0.1, 0.0, 0.0], [0.1, 0.0, 0.0]]))
coordinates = np.array([[0.1, 0.0, 0.0],
[0.9, 0.0, 0.0]])
coordinates_nop = pbc.noperiodic(coordinates, periodic)
assert np.allclose(mi, np.array([[0.1, 0.0, 0.0], [-0.1, 0.0, 0.0]]))
def test_pbc():
periodic = np.array([1, 1, 1])
coordinates = np.array([[0.1, 0.0, 0.0],
[1.1, 0.0, 0.0]])
mi = pbc.minimum_image(coordinates, periodic)
assert np.allclose(mi, np.array([[0.1, 0.0, 0.0], [0.1, 0.0, 0.0]]))
coordinates = np.array([[0.1, 0.0, 0.0],
[0.9, 0.0, 0.0]])
coordinates_nop = pbc.noperiodic(coordinates, periodic)
assert np.allclose(mi, np.array([[0.1, 0.0, 0.0], [-0.1, 0.0, 0.0]]))