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Address #690 comments
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Sterling Harper
parent
4ff005b439
commit
264cb33b36
5 changed files with 25 additions and 34 deletions
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@ -22,10 +22,9 @@ created from ENDF files with the
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prompt neutrons.
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**/<nuclide name>/**
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Nuclides are named by concatenating their Z and their A numbers. For
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example, U235 is named 92235. Metastable nuclides are appended with an
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'_m' and their metastable number. For example, the first excited isomer
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of Am-242 is named 95242_m1.
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Nuclides are named by concatenating their atomic symbol and mass number. For
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example, 'U235' or 'Pu239'. Metastable nuclides are appended with an
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'_m' and their metastable number. For example, 'Am242_m1'
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:Datasets: - **data** (*double[][][]*) -- The energy release coefficients. The
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first axis indexes the component type. The second axis specifies
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@ -12,9 +12,8 @@ import re
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def read_float(float_string):
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"""Parse ENDF 6E11.0 formatted string into a float."""
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assert len(float_string) == 11
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pattern = '([\s\\-]\d+\\.\d+)([\\+\\-]\d+)'
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mantissa, exponent = re.match(pattern, float_string).groups()
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return float(mantissa + 'e' + exponent)
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pattern = r'([\s\-]\d+\.\d+)([\+\-]\d+)'
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return float(re.sub(pattern, r'\1e\2', float_string))
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def read_CONT_line(line):
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@ -6,8 +6,9 @@ import h5py
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import numpy as np
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from numpy.polynomial.polynomial import Polynomial
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from .function import Tabulated1D, Sum
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from .data import ATOMIC_SYMBOL
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from .endf_utils import read_float, read_CONT_line, identify_nuclide
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from .function import Tabulated1D, Sum
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import openmc.checkvalue as cv
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if sys.version_info[0] >= 3:
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@ -70,11 +71,11 @@ def _extract_458_data(filename):
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labels = ('EFR', 'ENP', 'END', 'EGP', 'EGD', 'EB', 'ENU', 'ER', 'ET')
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# Associate each set of values and uncertainties with its label.
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value = dict()
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uncertainty = dict()
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for i in range(len(labels)):
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value[labels[i]] = data[2*i::18]
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uncertainty[labels[i]] = data[2*i + 1::18]
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value = {}
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uncertainty = {}
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for i, label in enumerate(labels):
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value[label] = data[2*i::18]
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uncertainty[label] = data[2*i + 1::18]
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# In ENDF/B-7.1, data for 2nd-order coefficients were mistakenly not
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# converted from MeV to eV. Check for this error and fix it if present.
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@ -94,13 +95,6 @@ def _extract_458_data(filename):
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for coeffs in value.values(): coeffs[2] *= 1e-6
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for coeffs in uncertainty.values(): coeffs[2] *= 1e-6
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# Perform the sanity check again... just in case.
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for coeffs in value.values():
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second_order = coeffs[2]
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if abs(second_order) * 1e12 > 1e8:
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raise ValueError("Encountered a ludicrously large second-"
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"order polynomial coefficient.")
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# Convert eV to MeV.
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for coeffs in value.values():
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for i in range(len(coeffs)):
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@ -112,8 +106,8 @@ def _extract_458_data(filename):
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return value, uncertainty
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def write_compact_458_library(endf_files, output_name=None, comment=None,
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verbose=False):
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def write_compact_458_library(endf_files, output_name='fission_Q_data.h5',
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comment=None, verbose=False):
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"""Read ENDF files, strip the MF=1 MT=458 data and write to small HDF5.
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Parameters
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@ -130,7 +124,6 @@ def write_compact_458_library(endf_files, output_name=None, comment=None,
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"""
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# Open the output file.
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if output_name is None: output_name = 'fission_Q_data.h5'
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out = h5py.File(output_name, 'w', libver='latest')
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# Write comments, if given. This commented out comment is the one used for
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@ -179,7 +172,7 @@ def write_compact_458_library(endf_files, output_name=None, comment=None,
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value, uncertainty = data
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# Make a group for this isomer.
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name = str(ident['Z']) + str(ident['A'])
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name = ATOMIC_SYMBOL[ident['Z']] + str(ident['A'])
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if ident['LISO'] != 0:
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name += '_m' + str(ident['LISO'])
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nuclide_group = out.create_group(name)
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@ -447,7 +440,7 @@ class FissionEnergyRelease(object):
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and p.emission_mode == 'prompt']
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else:
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raise ValueError('IncidentNeutron data has no fission '
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'reaction.')
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'reaction.')
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if len(nu_prompt) == 0:
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raise ValueError('Nu data is needed to compute fission energy '
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'release with the Sher-Beck format.')
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@ -533,7 +526,7 @@ class FissionEnergyRelease(object):
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elif group.attrs['format'].decode() == 'Sher-Beck':
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obj.form = 'Sher-Beck'
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obj.prompt_neutrons = Tabulated1D.from_hdf5(
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group['prompt_neutrons'])
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group['prompt_neutrons'])
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else:
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raise ValueError('Unrecognized energy release format')
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@ -565,14 +558,14 @@ class FissionEnergyRelease(object):
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components = [s.decode() for s in fin.attrs['component order']]
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nuclide_name = str(incident_neutron.atomic_number)
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nuclide_name = ATOMIC_SYMBOL[incident_neutron.atomic_number]
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nuclide_name += str(incident_neutron.mass_number)
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if incident_neutron.metastable != 0:
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nuclide_name += '_m' + str(incident_neutron.metastable)
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if nuclide_name not in fin: return None
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data = {c : fin[nuclide_name + '/data'][i, 0, :]
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data = {c: fin[nuclide_name + '/data'][i, 0, :]
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for i, c in enumerate(components)}
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return cls._from_dictionary(data, incident_neutron)
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@ -710,7 +710,7 @@ contains
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score = p % absorb_wgt * &
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nuc % reactions(nuc % index_fission(1)) % Q_value * &
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micro_xs(p % event_nuclide) % fission / &
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micro_xs(p % event_nuclide) % absorption
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micro_xs(p % event_nuclide) % absorption * flux
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end if
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end associate
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else
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@ -724,7 +724,7 @@ contains
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score = p % last_wgt * &
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nuc % reactions(nuc % index_fission(1)) % Q_value * &
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micro_xs(p % event_nuclide) % fission / &
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micro_xs(p % event_nuclide) % absorption
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micro_xs(p % event_nuclide) % absorption * flux
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end if
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end associate
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end if
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@ -785,7 +785,7 @@ contains
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score = p % absorb_wgt &
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* nuc % fission_q_prompt % evaluate(p % last_E) &
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* micro_xs(p % event_nuclide) % fission &
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/ micro_xs(p % event_nuclide) % absorption
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/ micro_xs(p % event_nuclide) % absorption * flux
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end if
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end associate
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else
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@ -799,7 +799,7 @@ contains
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score = p % last_wgt &
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* nuc % fission_q_prompt % evaluate(p % last_E) &
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* micro_xs(p % event_nuclide) % fission &
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/ micro_xs(p % event_nuclide) % absorption
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/ micro_xs(p % event_nuclide) % absorption * flux
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end if
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end associate
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end if
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@ -844,7 +844,7 @@ contains
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score = p % absorb_wgt &
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* nuc % fission_q_recov % evaluate(p % last_E) &
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* micro_xs(p % event_nuclide) % fission &
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/ micro_xs(p % event_nuclide) % absorption
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/ micro_xs(p % event_nuclide) % absorption * flux
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end if
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end associate
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else
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@ -858,7 +858,7 @@ contains
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score = p % last_wgt &
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* nuc % fission_q_recov % evaluate(p % last_E) &
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* micro_xs(p % event_nuclide) % fission &
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/ micro_xs(p % event_nuclide) % absorption
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/ micro_xs(p % event_nuclide) % absorption * flux
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end if
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end associate
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end if
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