import pynam.dielectric.sigma_nam import numpy as np import pytest @pytest.mark.parametrize("test_input,expected", [ ((1, 2), 7 / (2 * np.sqrt(6))), ((2, 0.25), -5j / np.sqrt(39)) ]) def test_g(test_input, expected): np.testing.assert_almost_equal( pynam.dielectric.sigma_nam.g(*test_input), expected, decimal=7, err_msg='g function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((1, 2, 0), 2), ((1, 2, 3), 2 - 3j), ((1, 0, 3), -3j) ]) def test_s(test_input, expected): np.testing.assert_almost_equal( pynam.dielectric.sigma_nam.s(*test_input), expected, decimal=7, err_msg='s function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((1, 2, 0), 4 - 3 * np.log(3)), ((1, 1, 0.1), 1.7258022209219421 + 0.4146045220413866j), ((1, 2, 1), 0.535971651563 + 0.291580606867j), ((1, 0, 1), (np.pi - 2)*1j), ((2, 1.09637631718, 0), 0.97892512273 + 1.09875591859j), ((2, 1, 0), 0.91197960825 + 1.17809724510j) ]) def test_f(test_input, expected): np.testing.assert_almost_equal( pynam.dielectric.sigma_nam.f(*test_input), expected, decimal=7, err_msg='f function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((2, 3, 1, 0), 1.43292419807), ((1, 2, 3, 4), 0.020963572915 + 0.441546735048j), ((1, 2, 2, 0), 2.24702466263660598724031013350450660504 + 2.6687342075059525776833106878900822165j) ]) def test_i1(test_input, expected): np.testing.assert_almost_equal( pynam.dielectric.sigma_nam.i1(*test_input), expected, decimal=7, err_msg='i1 function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((2, 3, 1, 0), 1.48649022993), ((1, 2, 3, 4), 0.079899419983 + 0.441546735048j), ((1, 2, 2, 0), 2.5083371377336783093007366990156440969 + 2.6687342075059525776833106878900822165j) ]) def test_i2(test_input, expected): np.testing.assert_almost_equal( pynam.dielectric.sigma_nam.i2(*test_input), expected, decimal=7, err_msg='i1 function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((1, 2, 3, 4), 0.228396), ((0.007307411691175783, 1e8, 730.7411691175784, 0.5845929352940626), 1.37272e-7) ]) def test_a(test_input, expected): actual = np.real_if_close(pynam.dielectric.sigma_nam.a(*test_input)) np.testing.assert_allclose( actual, expected, rtol=1e-5, err_msg='a function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((2, 1, 2, 0, 4), 0.19089933550122580816258795500979108668 + 0.30273783507819906415704926284048453889j), ((100, 1, 2, 3, 4), -2.62529549976e-6 + 2.60765e-12j), ]) def test_b_int(test_input, expected): actual = np.real_if_close(pynam.dielectric.sigma_nam.b_int(*test_input)) np.testing.assert_almost_equal( actual, expected, decimal=6, err_msg='b int function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((1, 2, 0, 4), 1.23149 + 2.08627j), ((1, 2, 3, 4), -0.0595819 + 0.437385j), ]) def test_b(test_input, expected): actual = np.real_if_close(pynam.dielectric.sigma_nam.b(*test_input)) np.testing.assert_almost_equal( actual, expected, decimal=6, err_msg='b function is off' ) @pytest.mark.parametrize("test_input,expected", [ ((1, 2, 0, 4), 0), ((1, 2, 3, 4), 0.984117 + 0.647951j), ((0.007307411691175783, 1e8, 730.7411691175784, 0.5845929352940626), 0.00008925294700016892 + 0.0102953966846717j) ]) def test_sigma_nam(test_input, expected): actual = np.real_if_close(pynam.dielectric.sigma_nam.sigma_nam(*test_input)) np.testing.assert_allclose( actual, expected, rtol=1e-3, err_msg='sigma_nam function is off' ) def test_sigma_nam_benchmark(benchmark): result = benchmark(pynam.dielectric.sigma_nam.sigma_nam, 1, 2, 3, 4) np.testing.assert_almost_equal( result, 0.984117 + 0.647951j, decimal=6, err_msg='sigma nam benchmrak function is off' )