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138 lines
4 KiB
Python
138 lines
4 KiB
Python
#!/usr/bin/env python
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from collections import Mapping, Callable
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import os
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import numpy as np
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import pandas as pd
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import pytest
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import openmc.data
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_ENDF_DATA = os.environ['OPENMC_ENDF_DATA']
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@pytest.fixture(scope='module')
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def elements_endf():
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"""Dictionary of element ENDF data indexed by atomic symbol."""
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elements = {'H': 1, 'O': 8, 'Al': 13, 'Cu': 29, 'Ag': 47, 'U': 92, 'Pu': 94}
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data = {}
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for symbol, Z in elements.items():
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p_file = 'photoat-{:03}_{}_000.endf'.format(Z, symbol)
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p_path = os.path.join(_ENDF_DATA, 'photoat', p_file)
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a_file = 'atom-{:03}_{}_000.endf'.format(Z, symbol)
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a_path = os.path.join(_ENDF_DATA, 'atomic_relax', a_file)
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data[symbol] = openmc.data.IncidentPhoton.from_endf(p_path, a_path)
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return data
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@pytest.fixture()
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def element(request, elements_endf):
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"""Element ENDF data"""
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return elements_endf[request.param]
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@pytest.mark.parametrize(
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'element, atomic_number', [
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('Al', 13),
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('Cu', 29),
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('Pu', 94)
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],
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indirect=['element']
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)
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def test_attributes(element, atomic_number):
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assert element.atomic_number == atomic_number
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@pytest.mark.parametrize(
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'element, subshell, binding_energy, num_electrons', [
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('H', 'K', 13.61, 1.0),
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('O', 'L3', 14.15, 2.67),
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('U', 'P2', 34.09, 2.0)
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],
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indirect=['element']
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)
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def test_atomic_relaxation(element, subshell, binding_energy, num_electrons):
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atom_relax = element.atomic_relaxation
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assert isinstance(atom_relax, openmc.data.photon.AtomicRelaxation)
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assert subshell in atom_relax.subshells
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assert atom_relax.binding_energy[subshell] == binding_energy
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assert atom_relax.num_electrons[subshell] == num_electrons
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@pytest.mark.parametrize('element', ['Al', 'Cu', 'Pu'], indirect=True)
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def test_transitions(element):
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transitions = element.atomic_relaxation.transitions
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assert transitions
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assert isinstance(transitions, Mapping)
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for matrix in transitions.values():
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assert isinstance(matrix, pd.core.frame.DataFrame)
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assert len(matrix.columns) == 4
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assert sum(matrix['probability']) == pytest.approx(1.0)
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@pytest.mark.parametrize('element', ['H', 'Al', 'Ag'], indirect=True)
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def test_bremsstrahlung(element):
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brems = element.bremsstrahlung
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assert isinstance(brems, Mapping)
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assert np.all(np.diff(brems['electron_energy']) > 0.0)
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assert np.all(np.diff(brems['photon_energy']) > 0.0)
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assert brems['photon_energy'][0] == 0.0
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assert brems['photon_energy'][-1] == 1.0
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assert brems['dcs'].shape == (200, 30)
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@pytest.mark.parametrize(
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'element, n_shell', [
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('H', 1),
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('O', 3),
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('Al', 5)
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],
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indirect=['element']
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)
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def test_compton_profiles(element, n_shell):
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profile = element.compton_profiles
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assert profile
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assert isinstance(profile, Mapping)
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assert all(isinstance(x, Callable) for x in profile['J'])
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assert all(len(x) == n_shell for x in profile.values())
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@pytest.mark.parametrize(
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'element, reaction', [
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('Cu', 541),
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('Ag', 502),
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('Pu', 504)
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],
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indirect=['element']
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)
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def test_reactions(element, reaction):
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reactions = element.reactions
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assert all(isinstance(x, openmc.data.PhotonReaction) for x in reactions.values())
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assert reaction in reactions
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with pytest.raises(KeyError):
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reactions[18]
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@pytest.mark.parametrize(
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'element, I', [
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('H', 19.2),
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('O', 95.0),
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('U', 890.0)
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],
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indirect=['element']
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)
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def test_stopping_powers(element, I):
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stopping_powers = element.stopping_powers
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assert isinstance(stopping_powers, Mapping)
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assert stopping_powers['I'] == I
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assert np.all(np.diff(stopping_powers['energy']) > 0.0)
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assert len(stopping_powers['s_collision']) == 200
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assert len(stopping_powers['s_radiative']) == 200
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@pytest.mark.parametrize('element', ['Pu'], indirect=True)
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def test_export_to_hdf5(tmpdir, element):
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filename = str(tmpdir.join('tmp.h5'))
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element.export_to_hdf5(filename)
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assert os.path.exists(filename)
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