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feat!: big breaking change set
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This commit is contained in:
Deepak Mallubhotla
2022-03-28 18:51:52 -05:00
parent e1e8c8490a
commit 6231ecc203
32 changed files with 1514 additions and 773 deletions
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50
tests/noise/test_chi.py
View File

@@ -8,34 +8,50 @@ from pynam.baskets import CalculationParams
@pytest.fixture
def chi_zz_e_lindhard():
params = CalculationParams(omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14)
params = CalculationParams(
omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14
)
eps_l = pynam.dielectric.get_lindhard_dielectric(params)
return pynam.noise.chi.get_chi_zz_e(eps_l)
@pytest.mark.parametrize("test_input,expected", [
# z chi_zz_e_lindhard(z)
(1e-5, 4.0249088868003124e6),
(1e-6, 4.400474453780887e9),
(1e-7, 7.768467746685921e12),
(1e-8, 1.8541895525296864e16),
])
@pytest.mark.parametrize(
"test_input,expected",
[
# z chi_zz_e_lindhard(z)
(1e-5, 4.0249088868003124e6),
(1e-6, 4.400474453780887e9),
(1e-7, 7.768467746685921e12),
(1e-8, 1.8541895525296864e16),
],
)
def test_chi_zz_e_lindhard(chi_zz_e_lindhard, test_input, expected):
actual = chi_zz_e_lindhard(test_input)
np.testing.assert_allclose(
actual, expected,
rtol=1e-3, err_msg='chi_zz_e is inaccurate for Lindhard case', verbose=True
actual,
expected,
rtol=1e-3,
err_msg="chi_zz_e is inaccurate for Lindhard case",
verbose=True,
)
@pytest.mark.parametrize("test_input,expected", [
# z chi_zz_e_lindhard(z)
(1e-6, 4.400474453780887e9),
])
def test_chi_zz_e_lindhard_benchmark(benchmark, chi_zz_e_lindhard, test_input, expected):
@pytest.mark.parametrize(
"test_input,expected",
[
# z chi_zz_e_lindhard(z)
(1e-6, 4.400474453780887e9),
],
)
def test_chi_zz_e_lindhard_benchmark(
benchmark, chi_zz_e_lindhard, test_input, expected
):
actual = benchmark(chi_zz_e_lindhard, test_input)
np.testing.assert_allclose(
actual, expected,
rtol=1e-3, err_msg='chi_zz_e is inaccurate for Lindhard case', verbose=True
actual,
expected,
rtol=1e-3,
err_msg="chi_zz_e is inaccurate for Lindhard case",
verbose=True,
)

32
tests/noise/test_im_ref.py
View File

@@ -8,24 +8,32 @@ from pynam.baskets import CalculationParams
@pytest.fixture
def im_ref_p_lindhard():
params = CalculationParams(omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14)
params = CalculationParams(
omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14
)
eps_l = pynam.dielectric.get_lindhard_dielectric(params)
return pynam.noise.im_ref.get_im_ref_p(eps_l)
@pytest.mark.parametrize("test_input,expected", [
# u im_ref_p_l(u)
# needs to be close in range around 1/z, so from 1e4 to 1e8
# (1e4, 1.821722334939806e-8), 1e4 is too far off still
(1e5, 1.602855764970752e-8),
(1e6, 1.704326041013161e-8),
(1e7, 2.674124312031195e-8),
(1e8, 7.441319151047531e-8),
])
@pytest.mark.parametrize(
"test_input,expected",
[
# u im_ref_p_l(u)
# needs to be close in range around 1/z, so from 1e4 to 1e8
# (1e4, 1.821722334939806e-8), 1e4 is too far off still
(1e5, 1.602855764970752e-8),
(1e6, 1.704326041013161e-8),
(1e7, 2.674124312031195e-8),
(1e8, 7.441319151047531e-8),
],
)
def test_im_ref_p_lindhard(im_ref_p_lindhard, test_input, expected):
actual = im_ref_p_lindhard(test_input)
np.testing.assert_allclose(
actual, expected,
rtol=1e-4, err_msg='imrp is inaccurate for Lindhard case', verbose=True
actual,
expected,
rtol=1e-4,
err_msg="imrp is inaccurate for Lindhard case",
verbose=True,
)

64
tests/noise/test_zeta.py
View File

@@ -8,49 +8,65 @@ from pynam.baskets import CalculationParams
@pytest.fixture
def zeta_p_integrand_lindhard():
params = CalculationParams(omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14)
params = CalculationParams(
omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14
)
eps_l = pynam.dielectric.get_lindhard_dielectric(params)
return pynam.noise.zeta.get_zeta_p_integrand(eps_l)
@pytest.mark.parametrize("test_input,expected", [
# y u zeta_p_i(u, y)
((100, 100), -6.891930153028566e-13 - 7.957747045025948e-9j),
((1e5, 100), -1.0057257267146669e-10 - 4.0591966623027983e-13j),
((100, 1e5), 1.1789175285399862e-8 - 7.957833322596519e-9j)
])
@pytest.mark.parametrize(
"test_input,expected",
[
# y u zeta_p_i(u, y)
((100, 100), -6.891930153028566e-13 - 7.957747045025948e-9j),
((1e5, 100), -1.0057257267146669e-10 - 4.0591966623027983e-13j),
((100, 1e5), 1.1789175285399862e-8 - 7.957833322596519e-9j),
],
)
def test_zeta_p_integrand_lindhard(zeta_p_integrand_lindhard, test_input, expected):
actual = zeta_p_integrand_lindhard(*test_input)
np.testing.assert_allclose(
actual, expected,
rtol=1e-7, err_msg='Zeta_p is inaccurate for Lindhard case', verbose=True
actual,
expected,
rtol=1e-7,
err_msg="Zeta_p is inaccurate for Lindhard case",
verbose=True,
)
@pytest.fixture
def zeta_p_lindhard():
params = CalculationParams(omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14)
params = CalculationParams(
omega=1e9, v_f=2e6, omega_p=3.544907701811032e15, tau=1e-14
)
eps_l = pynam.dielectric.get_lindhard_dielectric(params)
return pynam.noise.zeta.get_zeta_p_function(eps_l)
@pytest.mark.parametrize("test_input,expected", [
# u zeta_p(u)
(1, 0.000199609 - 0.000199608j),
# (10, 0.00019960929309663014 - 0.00019927000998506335j),
# (100, 0.0001996175250684056 - 0.0001654898843938523j),
# (1e3, 0.0002003339895748246 + 0.003212370020888438j),
# (1e4, 0.00028616168676982363 + 0.34096962141224463j),
(1e5, 0.0025183067257958545 + 34.11087430547122j),
(1e6, 0.026829658454640887 + 3411.0870128247902j),
(1e7, 0.4292211181081069 + 341088.797211291j),
(1e8, 14.348462224076096 + 3.391157983312813e7j)
])
@pytest.mark.parametrize(
"test_input,expected",
[
# u zeta_p(u)
(1, 0.000199609 - 0.000199608j),
# (10, 0.00019960929309663014 - 0.00019927000998506335j),
# (100, 0.0001996175250684056 - 0.0001654898843938523j),
# (1e3, 0.0002003339895748246 + 0.003212370020888438j),
# (1e4, 0.00028616168676982363 + 0.34096962141224463j),
(1e5, 0.0025183067257958545 + 34.11087430547122j),
(1e6, 0.026829658454640887 + 3411.0870128247902j),
(1e7, 0.4292211181081069 + 341088.797211291j),
(1e8, 14.348462224076096 + 3.391157983312813e7j),
],
)
def test_zeta_p(zeta_p_lindhard, test_input, expected):
actual = zeta_p_lindhard(test_input)
np.testing.assert_allclose(
actual, expected,
rtol=1e-4, err_msg='Zeta_p is inaccurate for Lindhard case', verbose=True
actual,
expected,
rtol=1e-4,
err_msg="Zeta_p is inaccurate for Lindhard case",
verbose=True,
)