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Moving u_c to be a parameter, that way eps has clean signature

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This commit is contained in:
Deepak Mallubhotla 2020-07-13 13:43:46 -05:00
parent 169f9c8106
commit a1d240f586
2 changed files with 10 additions and 8 deletions
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4
pynam/dielectric/nam_dielectric_coefficient_approximator.py
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@ -36,9 +36,9 @@ class NamDielectricCoefficients(object):
self.d = d self.d = d
self.u_l = np.real((-self.c + 1j * self.d) / (-self.a + 1j * self.b)) self.u_l = np.real((-self.c + 1j * self.d) / (-self.a + 1j * self.b))
def eps(self): def eps(self, u_c: float):
def piecewise_eps(u: float, u_c: float): def piecewise_eps(u: float):
# todo add check for u_c vs u_l # todo add check for u_c vs u_l
if u < self.u_l: if u < self.u_l:
return -self.a + 1j * self.b return -self.a + 1j * self.b

14
tests/dielectric/test_nam_dielectric_coefficient_approximator.py
View File

@ -15,7 +15,8 @@ import pynam.dielectric.nam_dielectric_coefficient_approximator
]) ])
def test_dedimensionalise_parameters(test_input, expected): def test_dedimensionalise_parameters(test_input, expected):
actual_parameters = pynam.dielectric.nam_dielectric_coefficient_approximator.get_dedimensionalised_parameters(*test_input) actual_parameters = pynam.dielectric.nam_dielectric_coefficient_approximator.get_dedimensionalised_parameters(
*test_input)
np.testing.assert_almost_equal( np.testing.assert_almost_equal(
actual_parameters.xi, expected[0], actual_parameters.xi, expected[0],
@ -52,7 +53,8 @@ def test_dedimensionalise_parameters(test_input, expected):
]) ])
def test_nam_coefficients(test_input, expected): def test_nam_coefficients(test_input, expected):
actual_coefficients = pynam.dielectric.nam_dielectric_coefficient_approximator.get_nam_dielectric_coefficients(*test_input) actual_coefficients = pynam.dielectric.nam_dielectric_coefficient_approximator.get_nam_dielectric_coefficients(
*test_input)
np.testing.assert_allclose( np.testing.assert_allclose(
actual_coefficients.a, expected[0], actual_coefficients.a, expected[0],
@ -86,19 +88,19 @@ def test_nam_eps():
2e6, 2e6,
0.8e11, 0.8e11,
1e11, 1e11,
3e8).eps() 3e8).eps(u_c)
np.testing.assert_allclose( np.testing.assert_allclose(
eps_to_test(10, u_c), -3.789672906817707e10 + 3.257134605133221e8j, eps_to_test(10), -3.789672906817707e10 + 3.257134605133221e8j,
rtol=1e-3, err_msg='below u_l bad' rtol=1e-3, err_msg='below u_l bad'
) )
np.testing.assert_allclose( np.testing.assert_allclose(
eps_to_test(1e10, u_c), -2.655709887616547e8 + 2.302290450767144e6j, eps_to_test(1e10), -2.655709887616547e8 + 2.302290450767144e6j,
rtol=1e-3, err_msg='linear region bad' rtol=1e-3, err_msg='linear region bad'
) )
np.testing.assert_allclose( np.testing.assert_allclose(
eps_to_test(1e17, u_c), 1, eps_to_test(1e17), 1,
rtol=1e-6, err_msg='above cutoff bad' rtol=1e-6, err_msg='above cutoff bad'
) )