test_nuclide_data.py

#!/usr/bin/env python
"""
Tests for nuclide_data

"""

import numpy as np
import uncertainties as unc
import unittest
import nuclide_data

class TestNuclideData(unittest.TestCase):

    def test_isotopes(self):
        """Do we have the correct isotopes for select elements?"""

        zs = [1, 8, 56, 95]
        isos = list(map(list, [range(1, 8),
                range(12, 29),
                range(112, 154),
                range(230, 250),]))
        for z, ref_iso in zip(zs, isos):
            iso = nuclide_data.isotopes[z]
            assert ref_iso == iso


    def test_isomers(self):
        """Do we have the correct isomers for select nuclides?"""

        nuclides = [ (4,10), (7,14), (52,115), (81,185), (115,290) ]
        isomer_states = [ [0., 3.3680, 5.9584, 6.1793],
                          [0., 8.49, 8.964, 9.129],
                          [0., 0.02, 0.2801],
                          [0., 0.4548],
                          [0.,] ]

        for n, ref_isomers in zip(nuclides, isomer_states):
            isomers = nuclide_data.isomers(*n)
            assert ref_isomers == isomers

    def ufloat_equiv(self, a, b):
        try:
            return ( np.allclose([a.nominal_value], [b.nominal_value])
                 and np.allclose([a.std_dev], [b.std_dev]) )
        except AttributeError:
            return a == b
            #return np.allclose([a], [b])

    def test_data(self):
        """
        Do we have the correct weight, abundance, and half-life for select nuclides?
        """
        nuclides = [ (1,1), (19, 49), (63, 148), (96, 240) ]
        weights  = [ unc.ufloat_fromstr("1.00782503207(10)"),
                     unc.ufloat_fromstr("48.967450(80)"),
                     unc.ufloat_fromstr("147.918086(11)"),
                     unc.ufloat_fromstr("240.0555295(25)"), ]
        abundances  = [ unc.ufloat_fromstr("0.999885(70)"), 0., 0., 0. ]
        half_lifes = [ np.inf, 1.26E+00, 4.71E+06, 2.33E+06]
        stable = [True, False, False, False]

        for i in range(len(nuclides)):
            d = nuclide_data.nuc(*nuclides[i])

            assert self.ufloat_equiv(d['weight'], weights[i])
            assert self.ufloat_equiv(d['abundance'], abundances[i])
            assert d['half-life'] == half_lifes[i]
            assert d['stable'] == stable[i]


    def test_weight(self):
        """
        Does weight() function work as expected?
        """
        symbols = [ 'H', 'K', 'eu', 'CM' ]
        nuclides = [ (1,1), (19, 49), (63, 148), (96, 240) ]
        weights  = [ 1.00782503207, 48.967450, 147.918086, 240.0555295, ]

        for i in range(len(nuclides)):

            assert weights[i] == nuclide_data.weight(*nuclides[i])
            assert weights[i] == nuclide_data.weight(symbols[i], nuclides[i][1])
            assert weights[i] == nuclide_data.weight(
                                  "{0}-{1}".format(symbols[i], nuclides[i][1]))


    def test_zaids(self):
        """Does zaid conversion work correctly?"""

        zaids = [92235, 3006, "54135", "08016"]
        zas = [(92,235), (3,6), (54, 135), (8, 16)]
        for zaid, ref_za in zip(zaids, zas):
            za = nuclide_data.zaid2za(zaid)
            assert ref_za == za

    def test_Nuclide_class_init(self):
        """Does Nuclide class correctly identify nuclide for a variety of inputs?"""

        class Foo:
           pass

        nuc_obj = Foo()
        nuc_obj.Z = 92
        nuc_obj.A = 235

        nuc_ids =   [ 'U235', 'U-235', '235U', '235-U',
                      'u235', 'u-235', '235u', '235-u',
                       92235, "92235",
                       (92,235), [92, 235],
                       {'Z':92, 'A':235},
                       nuc_obj
                    ]

        for nuc_id in nuc_ids:
            nuclide = nuclide_data.Nuclide(nuc_id)

            assert nuclide.Z == 92
            assert nuclide.A == 235
            assert nuclide.element == 'U'
            assert nuclide.metastable == False
            assert nuclide.E == 0.

    def test_Nuclide_class_init_2(self):
        """Does Nuclide class correctly identify nuclide for a variety of inputs?"""

        class Foo:
           pass

        nuc_obj = Foo()
        nuc_obj.Z = 3
        nuc_obj.A = 6

        nuc_ids =   [ 'Li6', 'LI-6', '6LI', '6-Li',
                      'li6', 'lI-6', '6li', '6-li',
                       3006, "03006",
                       (3,6), [3, 6],
                       {'Z': 3, 'A':6},
                       nuc_obj
                    ]

        for nuc_id in nuc_ids:
            nuclide = nuclide_data.Nuclide(nuc_id)

            assert nuclide.Z == 3
            assert nuclide.A == 6
            assert nuclide.element == 'Li'
            assert nuclide.metastable == False
            assert nuclide.E == 0.


    def test_Nuclide_class_init_with_E(self):
        """Does Nuclide class correctly get isomeric energy?"""
        E_ref = 0.2283

        class Foo:
           pass

        nuc_obj = Foo()
        nuc_obj.Z = 13
        nuc_obj.A = 26
        nuc_obj.E = E_ref

        nuc_ids =   [ ('Al26', E_ref),  (13026, E_ref),
                       ((13, 26, E_ref),), ([13, 26, E_ref],),
                       ({'Z': 13, 'A': 26, 'E': E_ref},),
                       (nuc_obj,)
                    ]

        for nuc_id in nuc_ids:
            nuclide = nuclide_data.Nuclide(*nuc_id)

            # Primary check
            assert np.allclose([nuclide.E,], [E_ref])

            # Secondary check
            assert nuclide.Z == 13
            assert nuclide.A == 26
            assert nuclide.element == 'Al'
            assert nuclide.metastable == True


    def test_Nuclide_class_init_with_metastable(self):
        """Does Nuclide class correctly understand metastable notation?"""
        E_ref = 0.5

        nuclide = nuclide_data.Nuclide('Li6m', E_ref)

        # Primary check
        assert np.allclose([nuclide.E,], [E_ref])
        assert nuclide.Z == 3
        assert nuclide.A == 6
        assert nuclide.element == 'Li'
        assert nuclide.metastable == True


        nuclide = nuclide_data.Nuclide('LI-6M')

        # Primary check
        assert nuclide.E is np.inf
        assert nuclide.Z == 3
        assert nuclide.A == 6
        assert nuclide.element == 'Li'
        assert nuclide.metastable == True

        nuclide = nuclide_data.Nuclide((3,6), metastable=True)

        # Primary check
        assert nuclide.E is np.inf
        assert nuclide.Z == 3
        assert nuclide.A == 6
        assert nuclide.element == 'Li'
        assert nuclide.metastable == True


    def test_Nuclide_class_init_with_alternate_metastable(self):

        alternate_zaid = nuclide_data.Nuclide('Li6').zaid() + 400
        nuclide = nuclide_data.Nuclide(alternate_zaid)

        assert nuclide.Z == 3
        assert nuclide.A == 6
        assert nuclide.element == 'Li'
        assert nuclide.metastable == True
        assert nuclide.zaid() == 3006
        assert nuclide.zaid(alternate=True) == 3406


    def test_Nuclide_class_MAT(self):
        """Does Nuclide class correctly set MAT?"""

        nuc_ids = {
            'H -  1 ' : 125,
            'He-  4 ' : 228,
            'N - 15 ' : 728,
            'O - 16 ' : 825,
            'Si- 29 ' : 1428,
            'Ca- 44 ' : 2037,
            'Sc- 45 ' : 2125,
            'Fe- 54 ' : 2625,
            'Co- 58 ' : 2722,
            'Co- 58M' : 2723,
            'Se- 82 ' : 3449,
            'Sr- 87 ' : 3834,
            'Ag-109 ' : 4731,
            'Ag-110M' : 4735,
            'Cd-115M' : 4853,
            'Sn-112 ' : 5025,
            'Gd-152 ' : 6425,
            'Ra-226 ' : 8834,
            'U -235 ' : 9228,
            'Am-242 ' : 9546,
            'Am-242M' : 9547,
            'Am-243 ' : 9549,
            'Am-244 ' : 9552,
            'Am-244M' : 9553,
            'Cm-240 ' : 9625,
            'Cm-241 ' : 9628,
            'Bk-246 ' : 9743,
            'Cf-254 ' : 9867,
            'Es-253 ' : 9913,
            'Es-254 ' : 9914,
            'Es-254M' : 9915,
            'Es-255 ' : 9916,
            'Fm-255 ' : 9936,
           }

        for nuc_id in nuc_ids:
            assert nuclide_data.Nuclide(nuc_id).mat == nuc_ids[nuc_id]


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