def create_library(xsdir, table_names, hdf5_dir, xsdata_dir=None):
"""Convert the ACE data from the MCNP or Serpent distribution into an
HDF5 library that can be used by OpenMC and create and XSDATA directory
file for use with Serpent.
Parameters
----------
xsdir : str
Path of the XSDIR directory file
table_names : str or iterable
Names of the ACE tables to convert
hdf5_dir : str
Directory to write the HDF5 library to
xsdata_dir : str
If specified, an XSDATA directory file containing entries for each of
the table names provided will be written to this directory.
"""
# Create data library
data_lib = openmc.data.DataLibrary()
# Load the XSDIR directory file
xsdir = XSDIR(xsdir)
# Get the ACE cross section tables
tables = xsdir.get_tables(table_names)
for table in tables:
zaid, suffix = table.name.split('.')
# Convert cross section data
if suffix[-1] == 'c':
match = '(7[0-4]c)|(8[0-6]c)|(71[0-6]nc)'
scheme = 'mcnp' if re.match(match, suffix) else 'nndc'
data = openmc.data.IncidentNeutron.from_ace(table, scheme)
elif suffix[-1] == 'p':
data = openmc.data.IncidentPhoton.from_ace(table)
elif suffix[-1] == 't':
data = openmc.data.ThermalScattering.from_ace(table)
else:
msg = ('Unknown data class: cannot convert cross section data '
f'from table {table.name}')
raise ValueError(msg)
# Export HDF5 files and register with library
h5_file = Path(hdf5_dir) / f'{data.name}.h5'
data.export_to_hdf5(h5_file, 'w')
data_lib.register_file(h5_file)
# Write cross_sections.xml
data_lib.export_to_xml(Path(hdf5_dir) / 'cross_sections.xml')
# Write the Serpent XSDATA file
if xsdata_dir is not None:
xsdir.export_to_xsdata(Path(xsdata_dir) / 'xsdata', table_names)
def process_neutron_random(nuc, i, out_dir, in_dir, file_num):
"""Process ENDF neutron sublibrary file into HDF5 and write into a
specified output directory."""
fileIn = in_dir / f"{nuc}-{i}"
fileOut = out_dir / f"{nuc}-{i}.h5"
data = openmc.data.IncidentNeutron.from_njoy(fileIn)
data.name = f"{nuc}-{i}"
data.export_to_hdf5(fileOut, "w")
if i % 40 == 0:
print(f"Nuclide {nuc} {i}/{file_num} finished")
def process_neutron(filename, output_dir):
"""Process ENDF neutron sublibrary file into HDF5 and write into a
specified output directory."""
try:
with warnings.catch_warnings():
warnings.simplefilter('ignore', UserWarning)
data = openmc.data.IncidentNeutron.from_njoy(
filename, temperatures=temperatures
)
except Exception as e:
print(filename, e)
raise
data.export_to_hdf5(output_dir / f'{data.name}.h5', 'w')
print(f'Finished {filename}')
def process_thermal(path_neutron, path_thermal, output_dir, libver):
"""Process ENDF thermal scattering sublibrary file into HDF5 and write into a
specified output directory."""
print(f'Converting: {path_thermal}')
try:
with warnings.catch_warnings():
warnings.simplefilter('ignore', UserWarning)
data = openmc.data.ThermalScattering.from_njoy(
path_neutron, path_thermal)
except Exception as e:
print(path_neutron, path_thermal, e)
raise
h5_file = output_dir / f'{data.name}.h5'
print(f'Writing {h5_file} ...')
data.export_to_hdf5(h5_file, 'w', libver=libver)
def process_neutron(path, output_dir, libver, temperatures=None):
"""Process ENDF neutron sublibrary file into HDF5 and write into a
specified output directory."""
print(f'Converting: {path}')
try:
with warnings.catch_warnings():
warnings.simplefilter('ignore', UserWarning)
data = openmc.data.IncidentNeutron.from_njoy(
path, temperatures=temperatures)
except Exception as e:
print(path, e)
raise
h5_file = output_dir / f'{data.name}.h5'
print(f'Writing {h5_file} ...')
data.export_to_hdf5(h5_file, 'w', libver=libver)
def process_thermal(path_neutron, path_thermal, output_dir):
"""Process ENDF thermal scattering sublibrary file into HDF5 and write into a
specified output directory."""
try:
with warnings.catch_warnings():
warnings.simplefilter('ignore', UserWarning)
data = openmc.data.ThermalScattering.from_njoy(
path_neutron, path_thermal)
except Exception as e:
print(path_neutron, path_thermal, e)
raise
data.export_to_hdf5(output_dir / f'{data.name}.h5',
'w',
libver=args.libver)
print(f'Finished {path_thermal}')
# Create output directory if it doesn't exist
args.destination.mkdir(parents=True, exist_ok=True)
library = openmc.data.DataLibrary()
for filename in sorted(neutron_files):
# this is a fix for the TENDL-2017 release where the B10 ACE file which has an error on one of the values
if library_name == 'tendl' and args.release == '2017' and filename.name == 'B010':
text = open(filename, 'r').read()
if text[423:428] == '86843':
print('Manual fix for incorrect value in ACE file')
# see OpenMC user group issue for more details
text = ''.join(text[:423]) + '86896' + ''.join(text[428:])
open(filename, 'w').write(text)
print(f'Converting: {filename}')
data = openmc.data.IncidentNeutron.from_ace(filename)
# Export HDF5 file
h5_file = args.destination / f'{data.name}.h5'
print('Writing {}...'.format(h5_file))
data.export_to_hdf5(h5_file, 'w', libver=args.libver)
# Register with library
library.register_file(h5_file)
# Write cross_sections.xml
library.export_to_xml(args.destination / 'cross_sections.xml')
# =========================================================================
# INCIDENT PHOTON DATA
for z in range(1, 101):
element = openmc.data.ATOMIC_SYMBOL[z]
print('Generating HDF5 file for Z={} ({})...'.format(z, element))
# Generate instance of IncidentPhoton
photo_file = Path('photoat') / f'photoat-{z:03}_{element}_000.endf'
atom_file = Path('atomic_relax') / f'atom-{z:03}_{element}_000.endf'
data = openmc.data.IncidentPhoton.from_endf(photo_file, atom_file)
# Write HDF5 file and register it
outfile = output_dir / 'photon' / f'{element}.h5'
data.export_to_hdf5(outfile, 'w')
library.register_file(outfile)
# =========================================================================
# WINDOWED MULTIPOLE DATA
# Download and extract data
download(urljoin(wmp_base, wmp_filename))
with tarfile.open(wmp_filename, 'r') as tgz:
tgz.extractall(output_dir)
os.rename(output_dir / 'WMP_Library', output_dir / 'wmp')
# Add multipole data to library
for f in sorted(glob.glob(f'{output_dir}/wmp/*.h5')):
library.register_file(f)
def test_photodat_only(run_in_tmpdir):
endf_dir = Path(os.environ['OPENMC_ENDF_DATA'])
photoatomic_file = endf_dir / 'photoat' / 'photoat-001_H_000.endf'
data = openmc.data.IncidentPhoton.from_endf(photoatomic_file)
data.export_to_hdf5('tmp.h5', 'w')
