Add tests for openmc.data.thermal

openmc/data/thermal.py

@@ -408,30 +408,27 @@ class ThermalScattering(EqualityMixin):
                 # Cross section
                 elastic_xs_type = elastic_group['xs'].attrs['type'].decode()
                 if elastic_xs_type == 'Tabulated1D':
-                    table.elastic_xs[T] = \
-                        Tabulated1D.from_hdf5(elastic_group['xs'])
+                    table.elastic_xs[T] = Tabulated1D.from_hdf5(
+                        elastic_group['xs'])
                 elif elastic_xs_type == 'bragg':
-                    table.elastic_xs[T] = \
-                        CoherentElastic.from_hdf5(elastic_group['xs'])
+                    table.elastic_xs[T] = CoherentElastic.from_hdf5(
+                        elastic_group['xs'])
 
                 # Angular distribution
                 if 'mu_out' in elastic_group:
-                    table.elastic_mu_out[T] = \
-                        elastic_group['mu_out'].value
+                    table.elastic_mu_out[T] = elastic_group['mu_out'].value
 
             # Read thermal inelastic scattering
             if 'inelastic' in Tgroup:
                 inelastic_group = Tgroup['inelastic']
-                table.inelastic_xs[T] = \
-                    Tabulated1D.from_hdf5(inelastic_group['xs'])
+                table.inelastic_xs[T] = Tabulated1D.from_hdf5(
+                    inelastic_group['xs'])
                 if table.secondary_mode in ('equal', 'skewed'):
-                    table.inelastic_e_out[T] = \
-                        inelastic_group['energy_out']
-                    table.inelastic_mu_out[T] = \
-                        inelastic_group['mu_out']
+                    table.inelastic_e_out[T] = inelastic_group['energy_out'].value
+                    table.inelastic_mu_out[T] = inelastic_group['mu_out'].value
                 elif table.secondary_mode == 'continuous':
-                    table.inelastic_dist[T] = \
-                        AngleEnergy.from_hdf5(inelastic_group)
+                    table.inelastic_dist[T] = AngleEnergy.from_hdf5(
+                        inelastic_group)
 
         return table
 

tests/unit_tests/test_data_multipole.py

@@ -1,10 +1,8 @@
 #!/usr/bin/env python
 
-from collections import Callable
 import os
 
 import numpy as np
-import pandas as pd
 import pytest
 import openmc.data
 

tests/unit_tests/test_data_thermal.py

@@ -0,0 +1,100 @@
+#!/usr/bin/env python
+
+from collections import Callable
+import os
+
+import numpy as np
+import pytest
+import openmc.data
+
+
+_ENDF_DATA = os.environ['OPENMC_ENDF_DATA']
+
+
+@pytest.fixture(scope='module')
+def h2o():
+    """H in H2O thermal scattering data."""
+    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    filename = os.path.join(directory, 'c_H_in_H2O.h5')
+    return openmc.data.ThermalScattering.from_hdf5(filename)
+
+
+@pytest.fixture(scope='module')
+def graphite():
+    """Graphite thermal scattering data."""
+    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    filename = os.path.join(directory, 'c_Graphite.h5')
+    return openmc.data.ThermalScattering.from_hdf5(filename)
+
+
+@pytest.fixture(scope='module')
+def h2o_njoy():
+    path_h1 = os.path.join(_ENDF_DATA, 'neutrons', 'n-001_H_001.endf')
+    path_h2o = os.path.join(_ENDF_DATA, 'thermal_scatt', 'tsl-HinH2O.endf')
+    return openmc.data.ThermalScattering.from_njoy(
+        path_h1, path_h2o, temperatures=[293.6, 500.0])
+
+
+def test_h2o_attributes(h2o):
+    assert h2o.name == 'c_H_in_H2O'
+    assert h2o.nuclides == ['H1']
+    assert h2o.secondary_mode == 'skewed'
+    assert h2o.temperatures == ['294K']
+    assert h2o.atomic_weight_ratio == pytest.approx(0.999167)
+
+
+def test_h2o_xs(h2o):
+    assert not h2o.elastic_xs
+    for temperature, func in h2o.inelastic_xs.items():
+        assert temperature.endswith('K')
+        assert isinstance(func, Callable)
+
+
+def test_graphite_attributes(graphite):
+    assert graphite.name == 'c_Graphite'
+    assert graphite.nuclides == ['C0', 'C12', 'C13']
+    assert graphite.secondary_mode == 'skewed'
+    assert graphite.temperatures == ['296K']
+    assert graphite.atomic_weight_ratio == pytest.approx(11.898)
+
+
+def test_graphite_xs(graphite):
+    for temperature, func in graphite.elastic_xs.items():
+        assert temperature.endswith('K')
+        assert isinstance(func, openmc.data.CoherentElastic)
+    for temperature, func in graphite.inelastic_xs.items():
+        assert temperature.endswith('K')
+        assert isinstance(func, Callable)
+    elastic = graphite.elastic_xs['296K']
+    assert elastic([1e-3, 1.0]) == pytest.approx([13.47464936, 0.62590156])
+
+
+def test_export_to_hdf5(tmpdir, h2o_njoy, graphite):
+    filename = str(tmpdir.join('water.h5'))
+    h2o_njoy.export_to_hdf5(filename)
+    assert os.path.exists(filename)
+
+    filename = str(tmpdir.join('graphite.h5'))
+    graphite.export_to_hdf5(filename)
+    assert os.path.exists(filename)
+
+
+def test_continuous_dist(h2o_njoy):
+    for temperature, dist in h2o_njoy.inelastic_dist.items():
+        assert temperature.endswith('K')
+        assert isinstance(dist, openmc.data.CorrelatedAngleEnergy)
+
+
+def test_get_thermal_name():
+    f = openmc.data.get_thermal_name
+    # Names which are recognized
+    assert f('lwtr') == 'c_H_in_H2O'
+    assert f('hh2o') == 'c_H_in_H2O'
+
+    with pytest.warns(UserWarning, match='is not recognized'):
+        # Names which can be guessed
+        assert f('lw00') == 'c_H_in_H2O'
+        assert f('graphite') == 'c_Graphite'
+
+        # Names that don't remotely match anything
+        assert f('boogie_monster') == 'c_boogie_monster'