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)