Additon of CENDL nuclear data download script

generate_cendl.py

@@ -0,0 +1,135 @@
+#!/usr/bin/env python3
+
+import argparse
+import glob
+import os
+import sys
+import zipfile
+
+import openmc.data
+from openmc._utils import download
+
+description = """
+Download CENDL 3.1 data from OECD NEA and convert it to a HDF5 library for
+use with OpenMC.
+
+"""
+
+
+class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
+                      argparse.RawDescriptionHelpFormatter):
+    pass
+
+
+parser = argparse.ArgumentParser(
+    description=description,
+    formatter_class=CustomFormatter
+)
+parser.add_argument('-b', '--batch', action='store_true',
+                    help='supresses standard in')
+parser.add_argument('-d', '--destination', default=None,
+                    help='Directory to create new library in')
+parser.add_argument('--libver', choices=['earliest', 'latest'],
+                    default='latest', help="Output HDF5 versioning. Use "
+                    "'earliest' for backwards compatibility or 'latest' for "
+                    "performance")
+parser.add_argument('-r', '--release', choices=['3.1'],
+                    default='3.1', help="The nuclear data library release version. "
+                    "The only option currently supported is 3.1")
+args = parser.parse_args()
+
+
+
+library_name = 'cendl' #this could be added as an argument to allow different libraries to be downloaded
+endf_files_dir = '-'.join([library_name, args.release, 'endf'])
+# the destination is decided after the release is known to avoid putting the release in a folder with a misleading name
+if args.destination is None:
+    args.destination = '-'.join([library_name, args.release, 'hdf5'])
+
+# This dictionary contains all the unique information about each release. This can be exstened to accommodated new releases
+release_details = {
+    '3.1': {
+        'base_url': 'https://www.oecd-nea.org/dbforms/data/eva/evatapes/cendl_31/',
+        'files': ['CENDL-31.zip'],
+        'neutron_files': os.path.join(endf_files_dir, '*.C31'),
+        'metastables': os.path.join(endf_files_dir, '*m.C31'),
+        'compressed_file_size': '0.03 GB',
+        'uncompressed_file_size': '0.4 GB'
+    }
+}
+
+download_warning = """
+WARNING: This script will download {} of data.
+Extracting and processing the data requires {} of additional free disk space.
+
+Are you sure you want to continue? ([y]/n)
+""".format(release_details[args.release]['compressed_file_size'],
+           release_details[args.release]['uncompressed_file_size'])
+
+response = input(download_warning) if not args.batch else 'y'
+if response.lower().startswith('n'):
+    sys.exit()
+
+# ==============================================================================
+# DOWNLOAD FILES FROM WEBSITE
+
+files_complete = []
+for f in release_details[args.release]['files']:
+    # Establish connection to URL
+    url = release_details[args.release]['base_url'] + f
+    downloaded_file = download(url)
+    files_complete.append(downloaded_file)
+
+# ==============================================================================
+# EXTRACT FILES FROM ZIP
+
+for f in release_details[args.release]['files']:
+    if f not in files_complete:
+        continue
+
+    # Extract files
+
+    suffix = ''
+    with zipfile.ZipFile(f) as zf:
+        print('Extracting {0}...'.format(f))
+        zf.extractall(path=os.path.join(endf_files_dir, suffix))
+
+
+# ==============================================================================
+# GENERATE HDF5 LIBRARY -- NEUTRON FILES
+
+# Get a list of all ENDF files
+neutron_files = glob.glob(release_details[args.release]['neutron_files'])
+
+# Create output directory if it doesn't exist
+if not os.path.isdir(args.destination):
+    os.mkdir(args.destination)
+
+library = openmc.data.DataLibrary()
+
+for filename in sorted(neutron_files):
+
+    # this is a fix for the CENDL 3.1 release where the 22-Ti-047.C31 and 5-B-010.C31 files contain non-ASCII characters
+    if library_name == 'cendl' and args.release == '3.1' and os.path.basename(filename) in  ['22-Ti-047.C31','5-B-010.C31']:
+        print('Manual fix for incorrect value in ENDF file')
+        text = open(filename, 'rb').read().decode('utf-8','ignore').split('\r\n')
+        if os.path.basename(filename) == '22-Ti-047.C31':
+            text[205] = ' 8) YUAN Junqian,WANG Yongchang,etc.               ,16,(1),57,92012228 1451  205'
+        if os.path.basename(filename) == '5-B-010.C31':
+            text[203] = '21)   Day R.B. and Walt M.  Phys.rev.117,1330 (1960)               525 1451  203'
+        open(filename, 'w').write('\r\n'.join(text))
+
+    print('Converting: ' + filename)
+    data = openmc.data.IncidentNeutron.from_njoy(filename)
+
+    # Export HDF5 file
+    h5_file = os.path.join(args.destination, 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
+libpath = os.path.join(args.destination, 'cross_sections.xml')
+library.export_to_xml(libpath)