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Resolution of @paulromano comments
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Adam Nelson
parent
a52921e40a
commit
935d72af0d
14 changed files with 254 additions and 528 deletions
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#!/usr/bin/env python
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"""Update OpenMC's deprecated multi-group cross section XML files to the latest
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HDF5-based format.
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Usage information can be obtained by running 'openmc-update-mgxs --help':
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usage: openmc-update-mgxs [-h] in out
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Update mgxs.xml files to the latest format. This will remove 'outside'
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attributes/elements from lattices and replace them with 'outer' attributes. For
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'cell' elements, any 'surfaces' attributes/elements will be renamed
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'region'. Note that this script will not delete the given files; it will append
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'.original' to the given files and write new ones.
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positional arguments:
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in Input mgxs xml file
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out Output mgxs hdf5 file
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optional arguments:
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-h, --help show this help message and exit
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"""
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from __future__ import print_function
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from shutil import move
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import warnings
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import xml.etree.ElementTree as ET
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import argparse
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import h5py
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import numpy as np
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import openmc.mgxs_library
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description = """\
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Update OpenMC's deprecated multi-group cross section XML files to the latest
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HDF5-based format."""
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def parse_args():
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"""Read the input files from the commandline."""
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# Create argument parser
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parser = argparse.ArgumentParser(description=description,
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formatter_class=argparse.RawTextHelpFormatter)
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parser.add_argument('-i', '--input', type=argparse.FileType('r'),
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help='input XML file')
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parser.add_argument('-o', '--output', nargs='?', default='',
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help='output file, in HDF5 format')
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parser.add_argument('-c', '--compression', type=int,
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help='HDF5 Compression Level')
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args = vars(parser.parse_args())
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if args['output'] == '':
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filename = args['input'].name
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extension = filename[filename.rfind('.'):]
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if extension == '.xml':
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filename = filename[:filename.rfind('.')] + '.h5'
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args['output'] = filename
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# Parse and return commandline arguments.
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return args
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def get_data(element, entry):
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try:
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value = element.find(entry).text
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except:
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if entry in element.attrib:
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value = element.attrib[entry]
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else:
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value = None
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if value is not None:
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value = value.strip()
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return value
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if __name__ == '__main__':
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args = parse_args()
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# Parse the XML data.
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tree = ET.parse(args['input'])
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root = tree.getroot()
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# Get old metadata
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temp = tree.find('group_structure').text.strip()
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temp = np.array(temp.split())
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group_structure = temp.astype(np.float)
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energy_groups = openmc.mgxs.EnergyGroups(group_structure)
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temp = tree.find('inverse_velocities')
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if temp is not None:
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temp = temp.text.strip()
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temp = np.array(temp.split())
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inverse_velocities = temp.astype(np.float)
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else:
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inverse_velocities = None
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xsd = []
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names = []
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# Now move on to the cross section data itself
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for xsdata_elem in root.iter('xsdata'):
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name = get_data(xsdata_elem, 'name')
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temperature = get_data(xsdata_elem, 'kT')
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if temperature is not None:
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temperature = \
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float(temperature) / openmc.data.K_BOLTZMANN
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else:
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temperature = 294.
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temperatures = [temperature]
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awr = get_data(xsdata_elem, 'awr')
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if awr is not None:
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awr = float(awr)
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representation = get_data(xsdata_elem, 'representation')
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if representation is None:
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representation = 'isotropic'
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if representation == 'angle':
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n_azi = int(get_data(xsdata_elem, 'num_azimuthal'))
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n_pol = int(get_data(xsdata_elem, 'num_polar'))
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scatter_format = get_data(xsdata_elem, 'scatt_type')
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if scatter_format is None:
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scatter_format = 'legendre'
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order = int(get_data(xsdata_elem, 'order'))
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tab_leg = get_data(xsdata_elem, 'tabular_legendre')
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if tab_leg is not None:
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warnings.Warning('The tabular_legendre option has moved to the '
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'settings.xml file and must be added manually')
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# Either add the data to a previously existing xsdata (if it is
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# for the same 'name' but a different temperature), or create a
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# new one.
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try:
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# It is in our list, so store that entry
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i = names.index(name)
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except:
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# It is not in our list, so add it
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i = -1
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xsd.append(openmc.XSdata(name, energy_groups,
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temperatures=temperatures,
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representation=representation))
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if awr is not None:
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xsd[-1].awr = awr
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if representation == 'angle':
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xsd[-1].num_azimuthal = n_azi
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xsd[-1].num_polar = n_pol
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xsd[-1].scatter_format = scatter_format
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xsd[-1].order = order
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names.append(name)
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if scatter_format == 'legendre':
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order_dim = order + 1
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else:
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order_dim = order
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if i != -1:
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xsd[i].add_temperature(temperature)
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temp = get_data(xsdata_elem, 'total')
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if temp is not None:
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temp = np.array(temp.split())
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total = temp.astype(np.float)
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total = np.reshape(total, xsd[i].vector_shape)
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xsd[i].set_total(total, temperature)
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if inverse_velocities is not None:
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xsd[i].set_inverse_velocities(inverse_velocities, temperature)
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temp = get_data(xsdata_elem, 'absorption')
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temp = np.array(temp.split())
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absorption = temp.astype(np.float)
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absorption = np.reshape(absorption, xsd[i].vector_shape)
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xsd[i].set_absorption(absorption, temperature)
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temp = get_data(xsdata_elem, 'scatter')
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temp = np.array(temp.split())
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temp = temp.astype(np.float)
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scatter = np.reshape(temp, xsd[i].pn_matrix_shape)
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xsd[i].set_scatter_matrix(scatter, temperature)
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temp = get_data(xsdata_elem, 'multiplicity')
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if temp is not None:
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temp = np.array(temp.split())
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temp = temp.astype(np.float)
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multiplicity = np.reshape(temp, xsd[i].matrix_shape)
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xsd[i].set_multiplicity_matrix(multiplicity, temperature)
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temp = get_data(xsdata_elem, 'fission')
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if temp is not None:
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temp = np.array(temp.split())
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fission = temp.astype(np.float)
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fission = np.reshape(fission, xsd[i].vector_shape)
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xsd[i].set_fission(fission, temperature)
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temp = get_data(xsdata_elem, 'kappa_fission')
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if temp is not None:
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temp = np.array(temp.split())
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kappa_fission = temp.astype(np.float)
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kappa_fission = np.reshape(kappa_fission, xsd[i].vector_shape)
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xsd[i].set_kappa_fission(kappa_fission, temperature)
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temp = get_data(xsdata_elem, 'chi')
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if temp is not None:
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temp = np.array(temp.split())
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chi = temp.astype(np.float)
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chi = np.reshape(chi, xsd[i].vector_shape)
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xsd[i].set_chi(chi, temperature)
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else:
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chi = None
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temp = get_data(xsdata_elem, 'nu_fission')
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if temp is not None:
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temp = np.array(temp.split())
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temp = temp.astype(np.float)
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if chi is not None:
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nu_fission = np.reshape(temp, xsd[i].vector_shape)
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else:
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nu_fission = np.reshape(temp, xsd[i].matrix_shape)
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xsd[i].set_nu_fission(nu_fission, temperature)
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# Build library as we go, but first we have enough to initialize it
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lib = openmc.MGXSLibrary(energy_groups)
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lib.add_xsdatas(xsd)
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lib.export_to_hdf5(args['output'])
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