File: test-comptonprofiles.py

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import unittest
import xraylib

class TestComptonProfiles(unittest.TestCase):
    def test_pz_0(self):
        profile = xraylib.ComptonProfile(26, 0.0)
        self.assertAlmostEqual(profile, 7.060, delta=1E-6)

        profile = xraylib.ComptonProfile_Partial(26, xraylib.N1_SHELL, 0.0)
        self.assertAlmostEqual(profile, 1.550, delta=1E-6)

        profile1 = xraylib.ComptonProfile_Partial(26, xraylib.L2_SHELL, 0.0)
        profile2 = xraylib.ComptonProfile_Partial(26, xraylib.L3_SHELL, 0.0)
        self.assertAlmostEqual(profile1, profile2, delta=1E-6)
        self.assertAlmostEqual(profile1, 0.065, delta=1E-6)

    def test_pz_100(self):
        profile = xraylib.ComptonProfile(26, 100.0)
        self.assertAlmostEqual(profile, 1.8E-5, delta=1E-8)

        profile = xraylib.ComptonProfile_Partial(26, xraylib.N1_SHELL, 100.0)
        self.assertAlmostEqual(profile, 5.1E-9, delta=1E-12)

        profile1 = xraylib.ComptonProfile_Partial(26, xraylib.L2_SHELL, 100.0)
        profile2 = xraylib.ComptonProfile_Partial(26, xraylib.L3_SHELL, 100.0)
        self.assertAlmostEqual(profile1, profile2, delta=1E-10)
        self.assertAlmostEqual(profile1, 1.1E-8, delta=1E-10)

    def test_pz_50(self):
        profile = xraylib.ComptonProfile(26, 50.0)
        self.assertAlmostEqual(profile, 0.0006843950273082384, delta=1E-8)

        profile = xraylib.ComptonProfile_Partial(26, xraylib.N1_SHELL, 50.0)
        self.assertAlmostEqual(profile, 2.4322755767709126e-07, delta=1E-10)

        profile1 = xraylib.ComptonProfile_Partial(26, xraylib.L2_SHELL, 50.0)
        profile2 = xraylib.ComptonProfile_Partial(26, xraylib.L3_SHELL, 50.0)
        self.assertAlmostEqual(profile1, profile2, delta=1E-10)
        self.assertAlmostEqual(profile1, 2.026953933016568e-06, delta=1E-10)

    def test_bad_input(self):
        with self.assertRaises(ValueError):
            xraylib.ComptonProfile(0, 0.0)
        xraylib.ComptonProfile(102, 0.0)
        with self.assertRaises(ValueError):
            xraylib.ComptonProfile(103, 0.0)
        with self.assertRaises(ValueError):
            xraylib.ComptonProfile(26, -1.0)

        with self.assertRaises(ValueError):
            xraylib.ComptonProfile_Partial(0, xraylib.K_SHELL, 0.0)
        xraylib.ComptonProfile_Partial(102, xraylib.K_SHELL, 0.0)
        with self.assertRaises(ValueError):
            xraylib.ComptonProfile_Partial(103, xraylib.K_SHELL, 0.0)
        with self.assertRaises(ValueError):
            xraylib.ComptonProfile_Partial(26, xraylib.K_SHELL, -1.0)
        with self.assertRaises(ValueError):
            xraylib.ComptonProfile_Partial(26, -1, 0.0)
        with self.assertRaises(ValueError):
            xraylib.ComptonProfile_Partial(26, xraylib.N2_SHELL, 0.0)
        with self.assertRaises(TypeError):
            xraylib.ComptonProfile_Partial()
        with self.assertRaises(TypeError):
            xraylib.ComptonProfile_Partial("26", xraylib.N2_SHELL, 0.0)

if __name__ == '__main__':
    unittest.main(verbosity=2)