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Changes in data/neutron.py from PullRequest Inc. review

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Paul Romano 2020-04-15 07:29:04 -05:00
parent a54cb56325
commit dcee71e9ee
1 changed files with 53 additions and 52 deletions
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105
openmc/data/neutron.py
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@ -345,7 +345,8 @@ class IncidentNeutron(EqualityMixin):
# Add grid around each resonance that includes the peak +/- the
# width times each value in _RESONANCE_ENERGY_GRID. Values are
# constrained so that points around one resonance don't overlap
# with points around another. This algorithm is from Fudge.
# with points around another. This algorithm is from Fudge
# (https://doi.org/10.1063/1.1945057).
energies = []
for e, g, e_lower, e_upper in zip(e_peak, gamma, e_mid[:-1],
e_mid[1:]):
@ -424,64 +425,62 @@ class IncidentNeutron(EqualityMixin):
'originated from an ENDF file.')
# Open file and write version
f = h5py.File(str(path), mode, libver=libver)
f.attrs['filetype'] = np.string_('data_neutron')
f.attrs['version'] = np.array(HDF5_VERSION)
with h5py.File(str(path), mode, libver=libver) as f:
f.attrs['filetype'] = np.string_('data_neutron')
f.attrs['version'] = np.array(HDF5_VERSION)
# Write basic data
g = f.create_group(self.name)
g.attrs['Z'] = self.atomic_number
g.attrs['A'] = self.mass_number
g.attrs['metastable'] = self.metastable
g.attrs['atomic_weight_ratio'] = self.atomic_weight_ratio
ktg = g.create_group('kTs')
for i, temperature in enumerate(self.temperatures):
ktg.create_dataset(temperature, data=self.kTs[i])
# Write basic data
g = f.create_group(self.name)
g.attrs['Z'] = self.atomic_number
g.attrs['A'] = self.mass_number
g.attrs['metastable'] = self.metastable
g.attrs['atomic_weight_ratio'] = self.atomic_weight_ratio
ktg = g.create_group('kTs')
for i, temperature in enumerate(self.temperatures):
ktg.create_dataset(temperature, data=self.kTs[i])
# Write energy grid
eg = g.create_group('energy')
for temperature in self.temperatures:
eg.create_dataset(temperature, data=self.energy[temperature])
# Write energy grid
eg = g.create_group('energy')
for temperature in self.temperatures:
eg.create_dataset(temperature, data=self.energy[temperature])
# Write 0K energy grid if needed
if '0K' in self.energy and '0K' not in eg:
eg.create_dataset('0K', data=self.energy['0K'])
# Write 0K energy grid if needed
if '0K' in self.energy and '0K' not in eg:
eg.create_dataset('0K', data=self.energy['0K'])
# Write reaction data
rxs_group = g.create_group('reactions')
for rx in self.reactions.values():
# Skip writing redundant reaction if it doesn't have photon
# production or is a summed transmutation reaction. MT=4 is also
# sometimes needed for probability tables. Also write gas
# production, heating, and damage energy production.
if rx.redundant:
photon_rx = any(p.particle == 'photon' for p in rx.products)
keep_mts = (4, 16, 103, 104, 105, 106, 107,
203, 204, 205, 206, 207, 301, 444, 901)
if not (photon_rx or rx.mt in keep_mts):
continue
# Write reaction data
rxs_group = g.create_group('reactions')
for rx in self.reactions.values():
# Skip writing redundant reaction if it doesn't have photon
# production or is a summed transmutation reaction. MT=4 is also
# sometimes needed for probability tables. Also write gas
# production, heating, and damage energy production.
if rx.redundant:
photon_rx = any(p.particle == 'photon' for p in rx.products)
keep_mts = (4, 16, 103, 104, 105, 106, 107,
203, 204, 205, 206, 207, 301, 444, 901)
if not (photon_rx or rx.mt in keep_mts):
continue
rx_group = rxs_group.create_group('reaction_{:03}'.format(rx.mt))
rx.to_hdf5(rx_group)
rx_group = rxs_group.create_group('reaction_{:03}'.format(rx.mt))
rx.to_hdf5(rx_group)
# Write total nu data if available
if len(rx.derived_products) > 0 and 'total_nu' not in g:
tgroup = g.create_group('total_nu')
rx.derived_products[0].to_hdf5(tgroup)
# Write total nu data if available
if len(rx.derived_products) > 0 and 'total_nu' not in g:
tgroup = g.create_group('total_nu')
rx.derived_products[0].to_hdf5(tgroup)
# Write unresolved resonance probability tables
if self.urr:
urr_group = g.create_group('urr')
for temperature, urr in self.urr.items():
tgroup = urr_group.create_group(temperature)
urr.to_hdf5(tgroup)
# Write unresolved resonance probability tables
if self.urr:
urr_group = g.create_group('urr')
for temperature, urr in self.urr.items():
tgroup = urr_group.create_group(temperature)
urr.to_hdf5(tgroup)
# Write fission energy release data
if self.fission_energy is not None:
fer_group = g.create_group('fission_energy_release')
self.fission_energy.to_hdf5(fer_group)
f.close()
# Write fission energy release data
if self.fission_energy is not None:
fer_group = g.create_group('fission_energy_release')
self.fission_energy.to_hdf5(fer_group)
@classmethod
def from_hdf5(cls, group_or_filename):
@ -617,18 +616,20 @@ class IncidentNeutron(EqualityMixin):
absorption_xs = ace.xss[i + 2*n_energy : i + 3*n_energy]
heating_number = ace.xss[i + 4*n_energy : i + 5*n_energy]*EV_PER_MEV
# Create redundant reactions (total, absorption, and heating)
# Create redundant reaction for total (MT=1)
total = Reaction(1)
total.xs[strT] = Tabulated1D(energy, total_xs)
total.redundant = True
data.reactions[1] = total
# Create redundant reaction for absorption (MT=101)
if np.count_nonzero(absorption_xs) > 0:
absorption = Reaction(101)
absorption.xs[strT] = Tabulated1D(energy, absorption_xs)
absorption.redundant = True
data.reactions[101] = absorption
# Create redundant reaction for heating (MT=301)
heating = Reaction(301)
heating.xs[strT] = Tabulated1D(energy, heating_number*total_xs)
heating.redundant = True