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Photonuclear Test Data Library #91

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Photonuclear Test Data Library #91

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4731ab2
added photonuclear data to test data
GuySten Jun 2, 2025
83520be
added fix to support move between filesystems
GuySten Jun 11, 2025
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26 changes: 24 additions & 2 deletions make_test_data.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,14 +2,15 @@

"""
Download ENDF/B-VII.1 ENDF and ACE files from NNDC and WMP files from GitHub and
generate a full HDF5 library with incident neutron, incident photon, thermal
generate a full HDF5 library with incident neutron, incident photon and photonuclear, thermal
scattering data, and windowed multipole data. This data is used for OpenMC's
regression test suite.
"""

import glob
import os
from pathlib import Path
import shutil
import tarfile
import tempfile
from urllib.parse import urljoin
Expand All @@ -28,6 +29,7 @@
(base_endf, 'ENDF-B-VII.1-neutrons.zip', 'e5d7f441fc4c92893322c24d1725e29c'),
(base_endf, 'ENDF-B-VII.1-photoat.zip', '5192f94e61f0b385cf536f448ffab4a4'),
(base_endf, 'ENDF-B-VII.1-atomic_relax.zip', 'fddb6035e7f2b6931e51a58fc754bd10'),
(base_endf, 'ENDF-B-VII.1-gammas.zip', '2a9dd2223f34429c63a205fe8a8c5791'),
(base_wmp, 'WMP_Library_v1.1.tar.gz', '8523895928dd6ba63fba803e3a45d4f3')
]

Expand All @@ -44,6 +46,7 @@ def fix_zaid(table, old, new):
pwd = Path.cwd()
output_dir = pwd / 'nndc_hdf5'
os.makedirs('nndc_hdf5/photon', exist_ok=True)
os.makedirs('nndc_hdf5/photonuclear', exist_ok=True)

with tempfile.TemporaryDirectory() as tmpdir:
# Temporarily change dir
Expand Down Expand Up @@ -141,11 +144,30 @@ def fix_zaid(table, old, new):
data.export_to_hdf5(outfile, 'w', 'earliest')
library.register_file(outfile)

# =========================================================================
# INCIDENT PHOTONUCLEAR DATA

photonuclear_files = sorted(glob.glob('gammas/*.endf'))
for f in photonuclear_files:
# Skipping N014 as it causes NJOY to hang
if os.path.basename(f) == 'g-007_N_014.endf':
continue

print('Converting {}...'.format(os.path.basename(f)))
data = openmc.data.IncidentPhotonuclear.from_njoy(f)

# Determine filename
outfile = output_dir / 'photonuclear' / (data.name + '.h5')
data.export_to_hdf5(outfile, 'w', 'earliest')

# Register with library
library.register_file(outfile)

# =========================================================================
# WINDOWED MULTIPOLE DATA

# Move data into output directory
os.rename('WMP_Library', str(output_dir / 'wmp'))
shutil.move('WMP_Library',str(output_dir / 'wmp'))

# Add multipole data to library
for f in sorted(glob.glob('{}/wmp/*.h5'.format(output_dir))):
Expand Down