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Address #983 comments

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This commit is contained in:
Sterling Harper 2018-03-19 12:55:46 -04:00
parent 1e49f3c889
commit efade329a8
2 changed files with 29 additions and 30 deletions
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55
openmc/data/multipole.py
View file

@ -652,7 +652,7 @@ class WindowedMultipole(EqualityMixin):
fun = np.vectorize(lambda x: self._evaluate(x, T))
return fun(E)
def to_hdf5(self, path, libver='earliest'):
def export_to_hdf5(self, path, libver='earliest'):
"""Export windowed multipole data to an HDF5 file.
Parameters
@ -666,33 +666,32 @@ class WindowedMultipole(EqualityMixin):
"""
# Open file and write version.
f = h5py.File(path, 'w', libver=libver)
f.create_dataset('version', (1, ), dtype='S10')
f['version'][:] = WMP_VERSION.encode('ASCII')
with h5py.File(path, 'w', libver=libver) as f:
f.create_dataset('version', (1, ), dtype='S10')
f['version'][:] = WMP_VERSION.encode('ASCII')
# Make a nuclide group.
g = f.create_group('nuclide')
# Make a nuclide group.
g = f.create_group('nuclide')
# Write scalars.
if self.formalism == 'MLBW':
g.create_dataset('formalism',
data=np.array(_FORM_MLBW, dtype=np.int32))
else:
# Assume RM.
g.create_dataset('formalism',
data=np.array(_FORM_RM, dtype=np.int32))
g.create_dataset('spacing', data=np.array(self.spacing))
g.create_dataset('sqrtAWR', data=np.array(self.sqrtAWR))
g.create_dataset('start_E', data=np.array(self.start_E))
g.create_dataset('end_E', data=np.array(self.end_E))
# Write scalars.
if self.formalism == 'MLBW':
g.create_dataset('formalism',
data=np.array(_FORM_MLBW, dtype=np.int32))
else:
# Assume RM.
g.create_dataset('formalism',
data=np.array(_FORM_RM, dtype=np.int32))
g.create_dataset('spacing', data=np.array(self.spacing))
g.create_dataset('sqrtAWR', data=np.array(self.sqrtAWR))
g.create_dataset('start_E', data=np.array(self.start_E))
g.create_dataset('end_E', data=np.array(self.end_E))
# Write arrays.
g.create_dataset('data', data=self.data)
g.create_dataset('l_value', data=self.l_value)
g.create_dataset('pseudo_K0RS', data=self.pseudo_k0RS)
g.create_dataset('w_start', data=self.w_start)
g.create_dataset('w_end', data=self.w_end)
g.create_dataset('broaden_poly', data=self.broaden_poly)
g.create_dataset('curvefit', data=self.curvefit)
f.close()
# Write arrays.
g.create_dataset('data', data=self.data)
g.create_dataset('l_value', data=self.l_value)
g.create_dataset('pseudo_K0RS', data=self.pseudo_k0RS)
g.create_dataset('w_start', data=self.w_start)
g.create_dataset('w_end', data=self.w_end)
g.create_dataset('broaden_poly',
data=self.broaden_poly.astype(np.int8))
g.create_dataset('curvefit', data=self.curvefit)

4
tests/unit_tests/test_data_multipole.py
View file

@ -58,7 +58,7 @@ def test_high_l(fe56):
assert total[0] == pytest.approx(27.85535792368082)
def test_to_hdf5(tmpdir, u235):
def test_export_to_hdf5(tmpdir, u235):
filename = str(tmpdir.join('092235.h5'))
u235.to_hdf5(filename)
u235.export_to_hdf5(filename)
assert os.path.exists(filename)