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Add a from_endf method to ThermalScattering that returns a dict

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Paul Romano 2019-04-18 08:37:26 -05:00
parent dccc9105cc
commit fbacfa0e5c
1 changed files with 91 additions and 1 deletions
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92
openmc/data/thermal.py
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@ -1,6 +1,8 @@
from collections.abc import Iterable
from collections import namedtuple
from difflib import get_close_matches
from numbers import Real
from io import StringIO
import itertools
import os
import re
@ -13,7 +15,7 @@ import h5py
import openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
from openmc.stats import Discrete, Tabular
from . import HDF5_VERSION, HDF5_VERSION_MAJOR
from . import HDF5_VERSION, HDF5_VERSION_MAJOR, endf
from .data import K_BOLTZMANN, ATOMIC_SYMBOL, EV_PER_MEV, NATURAL_ABUNDANCE
from .ace import Table, get_table, Library
from .angle_energy import AngleEnergy
@ -656,3 +658,91 @@ class ThermalScattering(EqualityMixin):
data.add_temperature_from_ace(table)
return data
@classmethod
def from_endf(cls, filename):
data = {}
ev = endf.Evaluation(filename)
if (7, 2) in ev.section:
file_obj = StringIO(ev.section[7, 2])
lhtr = endf.get_head_record(file_obj)[2]
if lhtr == 1:
# coherent elastic
# Get structure factor at first temperature
params, S = endf.get_tab1_record(file_obj)
t0 = params[0]
n_temps = params[2]
structure_factor = {t0: S}
# Get structure factor for subsequent temperatures
for _ in range(n_temps):
params, S = endf.get_list_record(file_obj)
t = params[0]
structure_factor[t] = S
data['structure_factor'] = structure_factor
elif lhtr == 2:
# incoherent elastic
params, W = endf.get_tab1_record(file_obj)
characteristic_xs = params[0]
data['debye_waller'] = W
data['characteristic_xs'] = characteristic_xs
if (7, 4) in ev.section:
file_obj = StringIO(ev.section[7, 4])
params = endf.get_head_record(file_obj)
data['symmetric'] = (params[4] == 0)
# Get information about principal atom
params, B = endf.get_list_record(file_obj)
data['log'] = bool(params[2])
data['free_atom_xs'] = B[0]
data['epsilon'] = B[1]
data['A0'] = B[2]
data['e_max'] = B[3]
data['M0'] = B[5]
# Get information about non-principal atoms
n_non_principal = params[5]
data['non_principal'] = []
NonPrincipal = namedtuple('NonPrincipal', ['func', 'xs', 'A', 'M'])
for i in range(1, n_non_principal + 1):
func = {0.0: 'SCT', 1.0: 'free gas', 2.0: 'diffusive'}[B[6*i]]
xs = B[6*i + 1]
A = B[6*i + 2]
M = B[6*i + 5]
data['non_principal'].append(NonPrincipal(func, xs, A, M))
# Get S(alpha,beta,T)
if data['free_atom_xs'] > 0.0:
params, _ = endf.get_tab2_record(file_obj)
n_beta = params[5]
sab = {'beta': np.empty(n_beta)}
for i in range(n_beta):
params, S = endf.get_tab1_record(file_obj)
t0, beta, lt = params[:3]
if i == 0:
sab['alpha'] = alpha = S.x
sab[t0] = np.empty((alpha.size, n_beta))
sab['beta'][i] = beta
sab[t0][:, i] = S.y
for _ in range(lt):
params, S = endf.get_list_record(file_obj)
t = params[0]
if i == 0:
sab[t] = np.empty((alpha.size, n_beta))
sab[t][:, i] = S
data['sab'] = sab
# Get effective temperature for each atom
_, Teff = endf.get_tab1_record(file_obj)
data['effective_temperature'] = [Teff]
for atom in data['non_principal']:
if atom.func == 'SCT':
_, Teff = endf.get_tab1_record(file_obj)
data['effective_temperature'].append(Teff)
return data