Start adding unit tests for openmc.data

openmc/data/neutron.py

@@ -465,6 +465,8 @@ class IncidentNeutron(EqualityMixin):
             return [mt]
         elif mt in SUM_RULES:
             mts = SUM_RULES[mt]
+        else:
+            return []
         complete = False
         while not complete:
             new_mts = []

tests/unit_tests/test_data_neutron.py

@@ -0,0 +1,121 @@
+#!/usr/bin/env python
+
+from collections import Mapping
+import os
+
+import numpy as np
+import pandas as pd
+import pytest
+import openmc.data
+
+
+@pytest.fixture
+def pu239():
+    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    filename = os.path.join(directory, 'Pu239.h5')
+    return openmc.data.IncidentNeutron.from_hdf5(filename)
+
+
+@pytest.fixture
+def gd154():
+    directory = os.environ['OPENMC_ENDF_DATA']
+    filename = os.path.join(directory, 'neutrons', 'n-064_Gd_154.endf')
+    return openmc.data.IncidentNeutron.from_endf(filename)
+
+
+@pytest.fixture
+def ace_file():
+    directory = os.environ['OPENMC_ENDF_DATA']
+    h1 = os.path.join(directory, 'neutrons', 'n-001_H_001.endf')
+    retcode = openmc.data.njoy.make_ace(h1, ace='h1.ace')
+    assert retcode == 0
+    return os.path.join(os.getcwd(), 'h1.ace')
+
+
+@pytest.fixture
+def h1(ace_file):
+    return openmc.data.IncidentNeutron.from_ace(ace_file)
+
+
+def test_attributes(pu239):
+    assert pu239.name == 'Pu239'
+    assert pu239.mass_number == 239
+    assert pu239.metastable == 0
+    assert pu239.atomic_symbol == 'Pu'
+    assert pu239.atomic_weight_ratio == pytest.approx(236.9986)
+
+
+def test_energy_grid(pu239):
+    assert isinstance(pu239.energy, Mapping)
+    for temp, grid in pu239.energy.items():
+        assert temp.endswith('K')
+        assert np.all(np.diff(grid) >= 0.0)
+
+
+def test_elastic(pu239):
+    elastic = pu239.reactions[2]
+    assert elastic.center_of_mass
+    assert elastic.q_value == 0.0
+    assert elastic.mt == 2
+    assert '0K' in elastic.xs
+    assert '294K' in elastic.xs
+    assert len(elastic.products) == 1
+    p = elastic.products[0]
+    assert isinstance(p, openmc.data.Product)
+    assert p.particle == 'neutron'
+    assert p.emission_mode == 'prompt'
+    assert len(p.distribution) == 1
+    d = p.distribution[0]
+    assert isinstance(d, openmc.data.UncorrelatedAngleEnergy)
+    assert isinstance(d.angle, openmc.data.AngleDistribution)
+    assert d.energy is None
+    assert p.yield_(0.0) == 1.0
+
+
+def test_fission(pu239):
+    fission = pu239.reactions[18]
+    assert not fission.center_of_mass
+    assert fission.q_value == pytest.approx(198902000.0)
+    assert fission.mt == 18
+    assert '294K' in fission.xs
+    assert len(fission.products) == 8
+    prompt = fission.products[0]
+    assert prompt.particle == 'neutron'
+    assert prompt.yield_(1.0e-5) == pytest.approx(2.874262)
+    delayed = [p for p in fission.products if p.emission_mode == 'delayed']
+    assert len(delayed) == 6
+    assert all(d.particle == 'neutron' for d in delayed)
+    assert sum(d.decay_rate for d in delayed) == pytest.approx(4.037212)
+    assert sum(d.yield_(1.0) for d in delayed) == pytest.approx(0.00645)
+    photon = fission.products[-1]
+    assert photon.particle == 'photon'
+
+
+def test_get_reaction_components(h1):
+    assert h1.get_reaction_components(1) == [2, 102]
+    assert h1.get_reaction_components(101) == [102]
+    assert h1.get_reaction_components(102) == [102]
+    assert h1.get_reaction_components(51) == []
+
+
+def test_resonances(gd154):
+    res = gd154.resonances
+    assert isinstance(res, openmc.data.Resonances)
+    assert len(res.ranges) == 2
+    resolved, unresolved = res.ranges
+    assert isinstance(resolved, openmc.data.ReichMoore)
+    assert isinstance(unresolved, openmc.data.Unresolved)
+    assert resolved.energy_min == pytest.approx(1e-5)
+    assert resolved.energy_max == pytest.approx(2760.)
+    assert resolved.target_spin == 0.0
+    assert resolved.channel_radius[0](1.0) == pytest.approx(0.74)
+    assert isinstance(resolved.parameters, pd.DataFrame)
+    assert (resolved.parameters['L'] == 0).all()
+    assert (resolved.parameters['J'] <= 0.5).all()
+    assert (resolved.parameters['fissionWidthA'] == 0.0).all()
+
+
+def test_reconstruct(gd154):
+    elastic = gd154.reactions[2].xs['0K']
+    assert isinstance(elastic, openmc.data.ResonancesWithBackground)
+    assert elastic(0.0253) == pytest.approx(5.7228949796394524)