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https://github.com/openmc-dev/openmc.git
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99 lines
3.3 KiB
Python
Executable file
99 lines
3.3 KiB
Python
Executable file
#!/usr/bin/env python3
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import argparse
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from collections import defaultdict
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import glob
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import os
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import openmc.data
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description = """
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Convert ENDF/B-VIII.0 ACE data from LANL into an HDF5 library
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that can be used by OpenMC. This assumes that you have a directory containing
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subdirectories 'Lib80x' and 'ENDF80SaB'.
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"""
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class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
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argparse.RawDescriptionHelpFormatter):
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pass
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parser = argparse.ArgumentParser(
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description=description,
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formatter_class=CustomFormatter
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)
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parser.add_argument('-o', '--output_dir', default='lib80x_hdf5',
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help='Directory to create new library in')
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parser.add_argument('--libver', choices=['earliest', 'latest'],
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default='earliest', help="Output HDF5 versioning. Use "
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"'earliest' for backwards compatibility or 'latest' for "
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"performance")
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parser.add_argument('--datadir', help='Directory containing Lib80x and ENDF80SaB',
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default=os.curdir)
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args = parser.parse_args()
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assert os.path.isdir(args.datadir)
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# Get a list of all ACE files
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lib80x = glob.glob(os.path.join(args.datadir, 'Lib80x', '**', '*.80?nc'), recursive=True)
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lib80sab = glob.glob(os.path.join(args.datadir, 'ENDF80SaB', '**', '*.??t'), recursive=True)
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# Find and fix B10 ACE files
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b10files = glob.glob(os.path.join(args.datadir, 'Lib80x', '**', '5010.80?nc'), recursive=True)
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nxs1_position = 523
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for filename in b10files:
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with open(filename, 'r+') as fh:
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# Read NXS(1)
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fh.seek(nxs1_position)
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nxs1 = int(fh.read(5))
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# Increase length to match actual length of XSS, but make sure this
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# isn't done twice by checking the current length
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if nxs1 < 86870:
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fh.seek(nxs1_position)
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fh.write(str(nxs1 + 53))
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# Group together tables for the same nuclide
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suffixes = defaultdict(list)
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for filename in sorted(lib80x + lib80sab):
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dirname, basename = os.path.split(filename)
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zaid, xs = basename.split('.')
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suffixes[os.path.join(dirname, zaid)].append(xs)
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# Create output directory if it doesn't exist
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if not os.path.isdir(args.output_dir):
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os.mkdir(args.output_dir)
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library = openmc.data.DataLibrary()
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for basename, xs_list in sorted(suffixes.items()):
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# Convert first temperature for the table
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filename = '.'.join((basename, xs_list[0]))
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print('Converting: ' + filename)
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if filename.endswith('t'):
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data = openmc.data.ThermalScattering.from_ace(filename)
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else:
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data = openmc.data.IncidentNeutron.from_ace(filename, 'mcnp')
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# For each higher temperature, add cross sections to the existing table
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for xs in xs_list[1:]:
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filename = '.'.join((basename, xs))
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print('Adding: ' + filename)
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if filename.endswith('t'):
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data.add_temperature_from_ace(filename)
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else:
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data.add_temperature_from_ace(filename, 'mcnp')
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# Export HDF5 file
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h5_file = os.path.join(args.output_dir, data.name + '.h5')
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print('Writing {}...'.format(h5_file))
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data.export_to_hdf5(h5_file, 'w', libver=args.libver)
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# Register with library
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library.register_file(h5_file)
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# Write cross_sections.xml
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libpath = os.path.join(args.output_dir, 'cross_sections.xml')
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library.export_to_xml(libpath)
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