Ejemplo n.º 1
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def test_kinematic_simulator_invalid_illumination():
    atomic_coordinates = np.asarray([[0, 0, 0]])  # structure.cart_coords
    sim = simulate_kinematic_scattering(atomic_coordinates,
                                        "Si",
                                        300.,
                                        simulation_size=32,
                                        illumination='gaussian')
Ejemplo n.º 2
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def test_kinematic_simulator_plane_wave():
    atomic_coordinates = np.asarray([[0, 0, 0]])  # structure.cart_coords
    sim = simulate_kinematic_scattering(atomic_coordinates,
                                        "Si",
                                        300.,
                                        simulation_size=32)
    assert isinstance(sim, ElectronDiffraction)
Ejemplo n.º 3
0
def test_kinematic_simulator_gaussian_probe():
    atomic_coordinates = np.asarray([[0, 0, 0]])  # structure.cart_coords
    sim = simulate_kinematic_scattering(atomic_coordinates,
                                        "Si",
                                        300.,
                                        simulation_size=32,
                                        illumination='gaussian_probe')
    assert isinstance(sim, ElectronDiffraction)