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Code Issues Projects Releases Packages Wiki Activity Actions 5

Get rid of unnecessary stopping power related data

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This commit is contained in:
amandalund 2018-06-26 11:43:28 -05:00
parent 492a4e950f
commit 057cd9a92a
2 changed files with 12 additions and 18 deletions
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22
openmc/data/photon.py
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@ -94,9 +94,8 @@ _COMPTON_PROFILES = {}
# Stopping powers are read from a pre-generated HDF5 file when they are first
# needed. The dictionary stores an array of energy values at which the other
# quantities are tabulated with the key 'energy' and for each element has the
# mass density, the mean excitation energy, and arrays containing the collision
# stopping powers, radiative stopping powers, and the density effect parameter
# stored on the key 'Z'.
# mean excitation energy and arrays containing the collision stopping powers
# and radiative stopping powers stored on the key 'Z'.
_STOPPING_POWERS = {}
# Scaled bremsstrahlung DCSs are read from a data file provided by Selzter and
@ -368,11 +367,10 @@ class IncidentPhoton(EqualityMixin):
Contains the cross sections for each photon reaction. The keys are MT
values and the values are instances of :class:`PhotonReaction`.
stopping_powers : dict
Dictionary of stopping power data with keys 'energy' (in eV), 'density'
(mass density in g/cm:sup:`3`), 'I' (mean excitation energy),
's_collision' (collision stopping power in eV cm:sup:`2`/g),
's_radiative' (radiative stopping power in eV cm:sup:`2`/g), and
'density_effect' (density effect parameter).
Dictionary of stopping power data with keys 'energy' (in eV), 'I' (mean
excitation energy), 's_collision' (collision stopping power in
eV cm:sup:`2`/g), and 's_radiative' (radiative stopping power in
eV cm:sup:`2`/g)
summed_reactions : collections.OrderedDict
Contains summed cross sections. The keys are MT values and the values
are instances of :class:`PhotonReaction`.
@ -590,11 +588,9 @@ class IncidentPhoton(EqualityMixin):
_STOPPING_POWERS['energy'] = f['energy'].value*EV_PER_MEV
for i in range(1, 99):
group = f['{:03}'.format(i)]
_STOPPING_POWERS[i] = {'density': group.attrs['density'],
'I': group.attrs['I'],
_STOPPING_POWERS[i] = {'I': group.attrs['I'],
's_collision': group['s_collision'].value,
's_radiative': group['s_radiative'].value,
'density_effect': group['density_effect'].value}
's_radiative': group['s_radiative'].value}
# Units are in MeV cm^2/g; convert to eV cm^2/g
_STOPPING_POWERS[i]['s_collision'] *= EV_PER_MEV
@ -776,7 +772,7 @@ class IncidentPhoton(EqualityMixin):
s_group = group.create_group('stopping_powers')
for key, value in self.stopping_powers.items():
if key in ('density', 'I'):
if key == 'I':
s_group.attrs[key] = value
else:
s_group.create_dataset(key, data=value)

8
scripts/openmc-make-stopping-powers
View file

@ -12,7 +12,7 @@ from openmc.data import ATOMIC_SYMBOL
base_url = 'https://physics.nist.gov/cgi-bin/Star/e_table-t.pl'
energies = np.logspace(-3, 3, 200)
data = {'matno': '', 'Energies': '\n'.join(str(x) for x in energies)}
columns = {1: 's_collision', 2: 's_radiative', 4: 'density_effect'}
columns = {1: 's_collision', 2: 's_radiative'}
# ==============================================================================
# SCRAPE DATA FROM ESTAR SITE AND GENERATE STOPPING POWER HDF5 FILE
@ -41,12 +41,10 @@ with h5py.File('stopping_powers.h5', 'w') as f:
# Create group for this element
group = f.create_group('{:03}'.format(Z))
# Write the density and mean excitation energy
# Write the mean excitation energy
attributes = np.fromstring(r[3], sep=' ')
group.attrs['density'] = attributes[1]
group.attrs['I'] = attributes[2]
# Write collision and radiative stopping powers and density effect
# parameter
# Write collision and radiative stopping powers
for i in columns:
group.create_dataset(columns[i], data=values[i])