updated photon data test to check cross sections and data by from_hdf5()

openmc/data/function.py

@@ -349,8 +349,8 @@ class Tabulated1D(Function1D):
             raise ValueError("Expected an HDF5 attribute 'type' equal to '"
                              + cls.__name__ + "'")
 
-        x = dataset.value[0, :]
-        y = dataset.value[1, :]
+        x = dataset[0, :]
+        y = dataset[1, :]
         breakpoints = dataset.attrs['breakpoints']
         interpolation = dataset.attrs['interpolation']
         return cls(x, y, breakpoints, interpolation)

openmc/data/photon.py

@@ -376,8 +376,8 @@ class AtomicRelaxation(EqualityMixin):
         # Write transition data with replacements
         if shell in self.transitions:
             df = self.transitions[shell].replace(
-                 _SUBSHELLS, np.arange(float(len(_SUBSHELLS))))
-            group.create_dataset('transitions')
+                 _SUBSHELLS, range(len(_SUBSHELLS)))
+            group.create_dataset('transitions', data=df.values.astype(float))
 
 
 class IncidentPhoton(EqualityMixin):

openmc/data/thermal.py

@@ -200,8 +200,8 @@ class CoherentElastic(EqualityMixin):
             Coherent elastic scattering cross section
 
         """
-        bragg_edges = dataset.value[0, :]
-        factors = dataset.value[1, :]
+        bragg_edges = dataset[0, :]
+        factors = dataset[1, :]
         return cls(bragg_edges, factors)
 
 

tests/unit_tests/test_data_photon.py

@@ -129,6 +129,20 @@ def test_export_to_hdf5(tmpdir, element):
     filename = str(tmpdir.join('tmp.h5'))
     element.export_to_hdf5(filename)
     assert os.path.exists(filename)
-    # Read in data from hdf5 and export again
+    # Read in data from hdf5
     element2 = openmc.data.IncidentPhoton.from_hdf5(filename)
+    # Check for some cross section and datasets of element and element2
+    energy = np.logspace(np.log10(1.0), np.log10(1.0e10), num=100)
+    for mt in (502, 504, 515, 517, 522, 541, 570):
+        xs = element[mt].xs(energy)
+        xs2 = element2[mt].xs(energy)
+        assert np.allclose(xs, xs2)
+    assert element[502].scattering_factor == element2[502].scattering_factor
+    assert element.atomic_relaxation.transitions['O3'].equals(
+           element2.atomic_relaxation.transitions['O3'])
+    assert (element.compton_profiles['binding_energy'] ==
+           element2.compton_profiles['binding_energy']).all()
+    assert (element.bremsstrahlung['electron_energy'] ==
+           element2.bremsstrahlung['electron_energy']).all()
+    # Export to hdf5 again
     element2.export_to_hdf5(filename, 'w')