def test_MAF_lineshape_kernel():
for dim in anisotropic_dims:
ns_obj = ShieldingPALineshape(
anisotropic_dimension=dim,
inverse_dimension=inverse_dimension,
channel="29Si",
magnetic_flux_density="9.4 T",
rotor_angle="90 deg",
rotor_frequency="14 kHz",
number_of_sidebands=1,
)
zeta, eta = ns_obj._get_zeta_eta(supersampling=1)
K = ns_obj.kernel(supersampling=1)
sim_lineshape = generate_shielding_kernel(zeta, eta, np.pi / 2, 14000,
1).T
assert np.allclose(K, sim_lineshape, rtol=1.0e-3, atol=1e-3)
ns_obj = MAF(
anisotropic_dimension=dim,
inverse_dimension=inverse_dimension,
channel="29Si",
magnetic_flux_density="9.4 T",
)
zeta, eta = ns_obj._get_zeta_eta(supersampling=1)
K = ns_obj.kernel(supersampling=1)
sim_lineshape = generate_shielding_kernel(zeta, eta, np.pi / 2, 14000,
1).T
assert np.allclose(K, sim_lineshape, rtol=1.0e-3, atol=1e-3)
_ = TSVDCompression(K, s=np.arange(96))
assert _.truncation_index == 15
def test_spinning_sidebands_kernel():
# 1
for dim in anisotropic_dims:
ns_obj = ShieldingPALineshape(
anisotropic_dimension=dim,
inverse_dimension=inverse_dimension,
channel="29Si",
magnetic_flux_density="9.4 T",
rotor_angle="54.735 deg",
rotor_frequency="100 Hz",
number_of_sidebands=96,
)
zeta, eta = ns_obj._get_zeta_eta(supersampling=1)
K = ns_obj.kernel(supersampling=1)
sim_lineshape = generate_shielding_kernel(zeta, eta,
0.9553059660790962, 100,
96).T
assert np.allclose(K, sim_lineshape, rtol=1.0e-3, atol=1e-3)
# 2
ns_obj = ShieldingPALineshape(
anisotropic_dimension=dim,
inverse_dimension=inverse_dimension_ppm,
channel="29Si",
magnetic_flux_density="9.4 T",
rotor_angle="54.735 deg",
rotor_frequency="100 Hz",
number_of_sidebands=96,
)
zeta, eta = ns_obj._get_zeta_eta(supersampling=1)
K = ns_obj.kernel(supersampling=1)
sim_lineshape = generate_shielding_kernel(zeta,
eta,
0.9553059660790962,
100,
96,
to_ppm=False).T
assert np.allclose(K, sim_lineshape, rtol=1.0e-3, atol=1e-3)
# 3
ns_obj = SpinningSidebands(
anisotropic_dimension=dim,
inverse_dimension=inverse_dimension,
channel="29Si",
magnetic_flux_density="9.4 T",
)
zeta, eta = ns_obj._get_zeta_eta(supersampling=1)
K = ns_obj.kernel(supersampling=1)
sim_lineshape = generate_shielding_kernel(zeta, eta,
0.9553059660790962, 208.33,
96).T
assert np.allclose(K, sim_lineshape, rtol=1.0e-3, atol=1e-3)
_ = TSVDCompression(K, s=np.arange(96))
assert _.truncation_index == 15
def test_zeta_eta_from_x_y():
for dim in anisotropic_dims:
ns_obj = ShieldingPALineshape(
anisotropic_dimension=dim,
inverse_dimension=inverse_dimension,
channel="29Si",
magnetic_flux_density="9.4 T",
rotor_angle="90 deg",
rotor_frequency="14 kHz",
number_of_sidebands=1,
)
x = np.arange(4) * 3000
y = np.arange(4) * 3000
factor_ = 4 / np.pi
zeta_ = []
eta_ = []
for y_ in y:
for x_ in x:
z = np.sqrt(x_**2 + y_**2)
if x_ < y_:
eta_.append(factor_ * np.arctan(x_ / y_))
zeta_.append(z)
elif x_ > y_:
eta_.append(factor_ * np.arctan(y_ / x_))
zeta_.append(-z)
else:
zeta_.append(z)
eta_.append(1.0)
zeta, eta = ns_obj._get_zeta_eta(supersampling=1)
assert np.allclose(zeta, np.asarray(zeta_))
assert np.allclose(eta, np.asarray(eta_))