"""This is a command line interface for manipulating ORIGEN v2.2 TAPE9.INP files.
"""
from __future__ import print_function
import os
import sys
import argparse
from glob import glob
from warnings import warn
from pyne.utils import QAWarning
import numpy as np
from pyne import data
from pyne import ensdf
from pyne import nucname
from pyne import origen22
from pyne.xs.cache import XSCache
from pyne.xs.data_source import EAFDataSource, SimpleDataSource, NullDataSource
from pyne.dbgen.api import build_dir
from pyne.dbgen.decay import grab_ensdf_decay
warn(__name__ + " is not yet QA compliant.", QAWarning)
[docs]def parse_ensdf(files):
"""Parses a list of ensdf files for origen."""
decays = []
branches = []
for f in files:
decs, brs = ensdf.origen_data(f)
decays.extend(decs)
branches.extend(brs)
decays = [x for x in decays if x[0] is not None]
branches = [x for x in branches if x[0] is not None]
return decays, branches
def _is_metastable_beta_decay_0(item, metastable_cutoff):
return (item[3] is not None) and (item[3] > metastable_cutoff) and \
(item[4] > 0) and (item[3] != np.inf) and (item[2] == 0)
def _is_metastable_beta_decay_x(item, metastable_cutoff):
return (item[3] is not None) and (item[3] > metastable_cutoff) and \
(item[4] > 0) and (item[3] != np.inf) and (item[2] > 0)
def _plus_eq_lib(lib, field, key, val):
lib[field][key] = lib[field].get(key, 0.0) + val
def _plus_eq_decay_t9(t9, field, nuc, key, val):
if nuc in origen22.ACTIVATION_PRODUCT_NUCS:
_plus_eq_lib(t9[1], field, key, val)
if nuc in origen22.ACTINIDE_AND_DAUGHTER_NUCS:
_plus_eq_lib(t9[2], field, key, val)
if nuc in origen22.FISSION_PRODUCT_NUCS:
_plus_eq_lib(t9[3], field, key, val)
if nuc not in origen22.NUCS:
# guess its classification
if nucname.anum in nucname.act:
# nuc is actinide
_plus_eq_lib(t9[2], field, key, val)
else:
# default to activation product
_plus_eq_lib(t9[1], field, key, val)
def _eq_decay_t9(t9, field, nuc, key, val):
if nuc in origen22.ACTIVATION_PRODUCT_NUCS:
t9[1][field][key] = val
if nuc in origen22.ACTINIDE_AND_DAUGHTER_NUCS:
t9[2][field][key] = val
if nuc in origen22.FISSION_PRODUCT_NUCS:
t9[3][field][key] = val
if nuc not in origen22.NUCS:
# guess its classification
if nucname.anum in nucname.act:
# nuc is actinide
t9[2][field][key] = val
else:
# default to activation product
t9[1][field][key] = val
def _set_branch_item(t9, nuc, key, item):
_eq_decay_t9(t9, 'half_life', nuc, key, item[2] or 0.0)
if "%SF" in item[3] and item[3]["%SF"] != '?':
_eq_decay_t9(t9, 'frac_spont_fiss', nuc, key,
float(item[3]["%SF"] or 0.0)/100.0)
if "%EC" in item[3] and item[3]["%EC"] != '?':
_plus_eq_decay_t9(t9, 'frac_beta_plus_or_electron_capture', nuc, key,
float(item[3]["%EC"] or 0.0)/100.0)
if "%B+" in item[3] and item[3]["%B+"] != '?':
_plus_eq_decay_t9(t9, 'frac_beta_plus_or_electron_capture', nuc, key,
float(item[3]["%B+"] or 0.0)/100.0)
if "%EC+%B+" in item[3] and item[3]["%EC+%B+"] != '?':
_plus_eq_decay_t9(t9, 'frac_beta_plus_or_electron_capture', nuc, key,
float(item[3]["%EC+%B+"] or 0.0)/100.0)
if "%B-N" in item[3] and item[3]["%B-N"] != '?':
_eq_decay_t9(t9, 'frac_beta_n', nuc, key, float(item[3]["%B-N"] or 0.0)/100.0)
if "%A" in item[3] and item[3]["%A"] != '?':
_eq_decay_t9(t9, 'frac_alpha', nuc, key, float(item[3]["%A"] or 0.0)/100.0)
if "%IT" in item[3] and item[3]["%IT"] != '?':
_eq_decay_t9(t9, 'frac_isomeric_transition', nuc, key,
float(item[3]["%IT"] or 0.0)/100.0)
[docs]def gendecay(decays, branches, metastable_cutoff=1.0):
"""This computes ORIGEN TAPE9 decay data based on ENSDF data.
Parameters
----------
decays : list
decay list from parse_ensdf()
branches : list
branches list from parse_ensdf()
metastable_cutoff : float, optional
minimum lifetime of metastable state (in seconds) to be included.
Returns
-------
t9 : dict
a TAPE9 dictionary for the decay library
"""
t9 = {1: {'_type': 'decay', 'title': 'PyNE Decay Data for Activation Products'},
2: {'_type': 'decay', 'title': 'PyNE Decay Data for Actinides & Daughters'},
3: {'_type': 'decay', 'title': 'PyNE Decay Data for Fission Products'},
}
for nlb, lib in t9.items():
for field in origen22.DECAY_FIELDS:
lib[field] = {}
longest = {}
longest2 = {}
for item in decays:
nuc = nucname.id(item[0])
key = nucname.zzaaam(nuc)
if _is_metastable_beta_decay_0(item, metastable_cutoff):
if 'B-' in item[5]:
_plus_eq_decay_t9(t9, 'frac_beta_minus_x', nuc, key, item[6]/100.0)
if 'B+' in item[5] or "EC" in item[5]:
_plus_eq_decay_t9(t9, 'frac_beta_plus_or_electron_capture_x', nuc,
key, item[6]/100.0)
if _is_metastable_beta_decay_x(item, metastable_cutoff):
key += 1
longest2[key] = longest2.get(key, 0)
if item[1] == longest2[key]:
if 'B-' in item[5]:
_plus_eq_decay_t9(t9, 'frac_beta_minus_x', nuc, key,
item[6]/100.0)
#item[6]*item[8]/100.0)
if 'B+' in item[5] or "EC" in item[5]:
_plus_eq_decay_t9(t9, 'frac_beta_plus_or_electron_capture_x', nuc,
key, item[6]/100.0)
#key, item[6]*item[8]/100.0)
elif item[1] > longest2[key]:
longest2[key] = item[1]
if 'B-' in item[5]:
#_eq_decay_t9(t9, 'frac_beta_minus_x', nuc, key, item[6]*item[8]/100.0)
_eq_decay_t9(t9, 'frac_beta_minus_x', nuc, key, item[6]/100.0)
if 'B+' in item[5] or "EC" in item[5]:
_eq_decay_t9(t9, 'frac_beta_plus_or_electron_capture_x', nuc,
key, item[6]/100.0)
#key, item[6]*item[8]/100.0)
for item in branches:
nuc = nucname.id(item[0])
key = nucname.zzaaam(nuc)
if (item[1] == 0) and (item[2] > metastable_cutoff):
_set_branch_item(t9, nuc, key, item)
if (item[1] != 0) and (item[2] > metastable_cutoff):
key += 1
longest[key] = longest.get(key, 0)
if (item[2] <= longest[key]):
continue
_set_branch_item(t9, nuc, key, item)
for nucs, hl in zip([origen22.ACTIVATION_PRODUCT_NUCS,
origen22.ACTINIDE_AND_DAUGHTER_NUCS,
origen22.FISSION_PRODUCT_NUCS],
[t9[i]['half_life'] for i in range(1, 4)]):
for nuc in nucs:
key = nucname.zzaaam(nuc)
if key not in hl:
hl[key] = data.half_life(nuc)
return t9
[docs]def main_gen(ns):
"""Generates an open TAPE9.INP file. by default this only uses completely open
data.
"""
files = glob(os.path.join(ns.build_dir, 'ENSDF', 'ensdf.*'))
if len(files) == 0:
grab_ensdf_decay(ns.build_dir)
files = glob(os.path.join(ns.build_dir, 'ENSDF', 'ensdf.*'))
print("parsing ENSDF decay data")
decays, branches = parse_ensdf(files)
print("creating ORIGEN decay libraries")
t9decay = gendecay(decays, branches, metastable_cutoff=ns.metastable_cutoff)
print("creating ORIGEN cross section libraries")
xsc = XSCache(data_source_classes=[EAFDataSource, SimpleDataSource,
NullDataSource])
xsc.load()
t9xsfpy = origen22.xslibs(xscache=xsc, verbose=True)
t9 = origen22.merge_tape9([t9decay, t9xsfpy])
origen22.write_tape9(t9, outfile=ns.filename)
_cmd_mains = {
'gen': main_gen,
}
def main():
parser = argparse.ArgumentParser(description='Manipulates ORIGEN v2.2 '
'TAPE9.INP files.')
subparsers = parser.add_subparsers(title='cmd', help='available sub-commands',
description='the subcommands', dest='cmd')
gen = subparsers.add_parser('gen',
help='Creates a TAPE9 file based only on open data.')
gen.add_argument('-o', dest='filename', default='TAPE9.INP',
help='output filename')
gen.add_argument('-b', dest='build_dir', action='store', default=build_dir,
help='path to the build directory.')
gen.add_argument('--metastable-cutoff', dest='metastable_cutoff', default=1.0,
type=float, help='minimum cutoff value to be considered '
'metastable state, in sec.')
ns = parser.parse_args()
if ns.cmd not in _cmd_mains:
sys.exit('command {0!r} could not be found'.format(ns.cmd))
_cmd_mains[ns.cmd](ns)
sys.exit()
if __name__ == '__main__':
main()
