Add photon tests

tests/unit_tests/test_data_photon.py

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