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Merge pull request #692 from paulromano/ace-hdf5-fixes

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A few fixes to ensure smooth MCNP6 ACE library conversion
This commit is contained in:
Sterling Harper 2016-08-10 11:24:47 -05:00 • committed by GitHub
commit 4edede450e
5 changed files with 35 additions and 17 deletions
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2
openmc/data/ace.py
View file

@ -282,7 +282,7 @@ class Library(object):
lines = [ace_file.readline() for i in range(13)]
while len(lines) != 0 and lines[0] != '':
while len(lines) != 0 and lines[0].strip() != '':
# Read name of table, atomic mass ratio, and temperature. If first
# line is empty, we are at end of file

2
openmc/data/function.py
View file

@ -97,7 +97,7 @@ class Tabulated1D(object):
if self.interpolation[k] == 1:
# Histogram
y[contined] = yi
y[contained] = yi
elif self.interpolation[k] == 2:
# Linear-linear

6
openmc/data/neutron.py
View file

@ -178,7 +178,7 @@ class IncidentNeutron(object):
@temperature.setter
def temperature(self, temperature):
cv.check_type('temperature', temperature, Real)
cv.check_greater_than('temperature', temperature, 0.0)
cv.check_greater_than('temperature', temperature, 0.0, True)
self._temperature = temperature
@energy.setter
@ -448,6 +448,10 @@ class IncidentNeutron(object):
# Create summed reaction with appropriate cross section
rx = Reaction(mt)
mts = data.get_reaction_components(mt)
if len(mts) == 0:
warn('Photon production is present for MT={} but no '
'reaction components exist.'.format(mt))
continue
rx.xs = Sum([data.reactions[mt_i].xs for mt_i in mts])
# Determine summed cross section

13
openmc/data/thermal.py
View file

@ -16,7 +16,8 @@ from openmc.stats import Discrete, Tabular
_THERMAL_NAMES = {'al': 'c_Al27', 'al27': 'c_Al27',
'be': 'c_Be',
'bebeo': 'c_Be_in_BeO', 'be-o': 'c_Be_in_BeO',
'beo': 'c_BeO',
'bebeo': 'c_Be_in_BeO', 'be-o': 'c_Be_in_BeO', 'be/o': 'c_Be_in_BeO',
'benz': 'c_Benzine',
'cah': 'c_Ca_in_CaH2',
'dd2o': 'c_D_in_D2O', 'hwtr': 'c_D_in_D2O',
@ -25,18 +26,18 @@ _THERMAL_NAMES = {'al': 'c_Al27', 'al27': 'c_Al27',
'hca': 'c_H_in_CaH2',
'hch2': 'c_H_in_CH2', 'poly': 'c_H_in_CH2',
'hh2o': 'c_H_in_H2O', 'lwtr': 'c_H_in_H2O',
'hzrh': 'c_H_in_ZrH', 'h-zr': 'c_H_in_ZrH',
'hzrh': 'c_H_in_ZrH', 'h-zr': 'c_H_in_ZrH', 'h/zr': 'c_H_in_ZrH',
'lch4': 'c_liquid_CH4', 'lmeth': 'c_liquid_CH4',
'mg': 'c_Mg24',
'obeo': 'c_O_in_BeO', 'o-be': 'c_O_in_BeO',
'obeo': 'c_O_in_BeO', 'o-be': 'c_O_in_BeO', 'o/be': 'c_O_in_BeO',
'orthod': 'c_ortho_D', 'dortho': 'c_ortho_D',
'orthoh': 'c_ortho_H', 'hortho': 'c_ortho_H',
'ouo2': 'c_O_in_UO2', 'o2-u': 'c_O_in_UO2',
'ouo2': 'c_O_in_UO2', 'o2-u': 'c_O_in_UO2', 'o2/u': 'c_O_in_UO2',
'parad': 'c_para_D', 'dpara': 'c_para_D',
'parah': 'c_para_H', 'hpara': 'c_para_H',
'sch4': 'c_solid_CH4', 'smeth': 'c_solid_CH4',
'uuo2': 'c_U_in_UO2', 'u-o2': 'c_U_in_UO2',
'zrzrh': 'c_Zr_in_ZrH', 'zr-h': 'c_Zr_in_ZrH'}
'uuo2': 'c_U_in_UO2', 'u-o2': 'c_U_in_UO2', 'u/o2': 'c_U_in_UO2',
'zrzrh': 'c_Zr_in_ZrH', 'zr-h': 'c_Zr_in_ZrH', 'zr/h': 'c_Zr_in_ZrH'}
class CoherentElastic(object):

29
scripts/openmc-ace-to-hdf5
View file

@ -64,7 +64,9 @@ if args.xml is not None:
directory = os.path.dirname(args.xml)
for ace_table in root.findall('ace_table'):
ace_libraries.append(os.path.join(directory, ace_table.attrib['path']))
path = os.path.join(directory, ace_table.attrib['path'])
if path not in ace_libraries:
ace_libraries.append(path)
elif args.xsdir is not None:
# Find 'directory' section
@ -75,8 +77,15 @@ elif args.xsdir is not None:
else:
raise IOError("Could not find 'directory' section in MCNP xsdir file")
# Handle continuation lines indicated by '+' at end of line
lines = lines[index + 1:]
continue_lines = [i for i, line in enumerate(lines)
if line.strip().endswith('+')]
for i in reversed(continue_lines):
lines[i] += lines[i].strip()[:-1] + lines.pop(i + 1)
# Create list of ACE libraries
for line in lines[index + 1:]:
for line in lines:
words = line.split()
if len(words) < 3:
continue
@ -109,14 +118,18 @@ for filename in ace_libraries:
for table in lib.tables:
if table.name.endswith('c'):
# Continuous-energy neutron data
neutron = openmc.data.IncidentNeutron.from_ace(
table, args.metastable)
print(neutron.name)
try:
neutron = openmc.data.IncidentNeutron.from_ace(
table, args.metastable)
except Exception as e:
print('Failed to convert {}: {}'.format(table.name, e))
continue
print('Converting {} (ACE) to {} (HDF5)'.format(table.name, neutron.name))
# Determine filename
outfile = os.path.join(args.destination,
neutron.name.replace('.', '_') + '.h5')
neutron.export_to_hdf5(outfile)
neutron.export_to_hdf5(outfile, 'w')
# Register with library
library.register_file(outfile)
@ -124,12 +137,12 @@ for filename in ace_libraries:
elif table.name.endswith('t'):
# Thermal scattering data
thermal = openmc.data.ThermalScattering.from_ace(table)
print(thermal.name)
print('Converting {} (ACE) to {} (HDF5)'.format(table.name, thermal.name))
# Determine filename
outfile = os.path.join(args.destination,
thermal.name.replace('.', '_') + '.h5')
thermal.export_to_hdf5(outfile)
thermal.export_to_hdf5(outfile, 'w')
# Register with library
library.register_file(outfile, 'thermal')