def test_return_shape(self):
""" Test that the return shape of pelectrostatic is the same as input arrays """
xx, yy, zz = np.meshgrid(
np.linspace(-10, 10, 16), np.linspace(-10, 10, 16), np.linspace(-10, 10, 16)
)
potential = electrostatic(self.crystal, xx, yy, zz)
self.assertSequenceEqual(xx.shape, potential.shape)
def test_return_shape():
""" Test that the return shape of pelectrostatic is the same as input arrays """
crystal = Crystal.from_database("C")
xx, yy, zz = np.meshgrid(np.linspace(-10, 10,
16), np.linspace(-10, 10, 16),
np.linspace(-10, 10, 16))
potential = electrostatic(crystal, xx, yy, zz)
assert xx.shape == potential.shape
def test_side_effects(self):
""" Test that mesh arrays are not written to in pelectrostatic """
xx, yy, zz = np.meshgrid(
np.linspace(-10, 10, 16), np.linspace(-10, 10, 16), np.linspace(-10, 10, 16)
)
xx.setflags(write=False)
yy.setflags(write=False)
zz.setflags(write=False)
potential = electrostatic(self.crystal, xx, yy, zz)