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Make probability tables temperature-dependent

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This commit is contained in:
Paul Romano 2016-08-25 13:58:53 -05:00
parent 68625ca314
commit 19c8a1159d
3 changed files with 34 additions and 22 deletions
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51
openmc/data/neutron.py
View file

@ -1,6 +1,6 @@
from __future__ import division, unicode_literals
import sys
from collections import OrderedDict, Iterable, Mapping
from collections import OrderedDict, Iterable, Mapping, MutableMapping
from itertools import chain
from numbers import Integral, Real
from warnings import warn
@ -141,15 +141,16 @@ class IncidentNeutron(EqualityMixin):
summed_reactions : collections.OrderedDict
Contains summed cross sections, e.g., the total cross section. The keys
are the MT values and the values are Reaction objects.
temperatures : Iterable of str
temperatures : list of str
List of string representations the temperatures of the target nuclide
in the data set. The temperatures are strings of the temperature,
rounded to the nearest integer; e.g., '294K'
kTs : Iterable of float
List of temperatures of the target nuclide in the data set.
The temperatures have units of MeV.
urr : None or openmc.data.ProbabilityTables
Unresolved resonance region probability tables
urr : dict
Dictionary whose keys are temperatures (e.g., '294K') and values are
unresolved resonance region probability tables.
"""
@ -165,7 +166,7 @@ class IncidentNeutron(EqualityMixin):
self._fission_energy = None
self.reactions = OrderedDict()
self.summed_reactions = OrderedDict()
self.urr = None
self._urr = {}
def __contains__(self, mt):
return mt in self.reactions or mt in self.summed_reactions
@ -275,8 +276,10 @@ class IncidentNeutron(EqualityMixin):
@urr.setter
def urr(self, urr):
cv.check_type('probability tables', urr,
(ProbabilityTables, type(None)))
cv.check_type('probability table dictionary', urr, MutableMapping)
for key, value in urr:
cv.check_type('probability table temperature', key, basestring)
cv.check_type('probability tables', value, ProbabilityTables)
self._urr = urr
def add_temperature_from_ace(self, ace_or_filename, metastable_scheme='nndc'):
@ -325,6 +328,10 @@ class IncidentNeutron(EqualityMixin):
mt, strT))
self[mt].xs[strT] = data[mt].xs[strT]
# Add probability tables
if strT in data.urr:
self.urr[strT] = data.urr[strT]
def get_reaction_components(self, mt):
"""Determine what reactions make up summed reaction.
@ -399,9 +406,11 @@ class IncidentNeutron(EqualityMixin):
rx.derived_products[0].to_hdf5(tgroup)
# Write unresolved resonance probability tables
if self.urr is not None:
if self.urr:
urr_group = g.create_group('urr')
self.urr.to_hdf5(urr_group)
for temperature, urr in self.urr.items():
tgroup = urr_group.create_group(temperature)
urr.to_hdf5(tgroup)
# Write fission energy release data
if self.fission_energy is not None:
@ -448,14 +457,14 @@ class IncidentNeutron(EqualityMixin):
# Read energy grid
e_group = group['energy']
for temperature in temperatures:
data.energy[temperature] = e_group[temperature].value
for temperature, dset in e_group.items():
data.energy[temperature] = dset.value
# Read reaction data
rxs_group = group['reactions']
for name, obj in sorted(rxs_group.items()):
if name.startswith('reaction_'):
rx = Reaction.from_hdf5(obj, data.energy, temperatures)
rx = Reaction.from_hdf5(obj, data.energy)
data.reactions[rx.mt] = rx
# Read total nu data if available
@ -467,17 +476,17 @@ class IncidentNeutron(EqualityMixin):
# MTs never depend on lower MTs.
for mt_sum in sorted(SUM_RULES, reverse=True):
if mt_sum not in data:
data.summed_reactions[mt_sum] = rx = Reaction(mt_sum)
for T in data.temperatures:
xs_components = [data[mt].xs[T] for mt in SUM_RULES[mt_sum]
if mt in data]
if len(xs_components) > 0:
rx.xs[T] = Sum(xs_components)
rxs = [data[mt] for mt in SUM_RULES[mt_sum] if mt in data]
if len(rxs) > 0:
data.summed_reactions[mt_sum] = rx = Reaction(mt_sum)
for T in data.temperatures:
rx.xs[T] = Sum([rx.xs[T] for rx in rxs])
# Read unresolved resonance probability tables
if 'urr' in group:
urr_group = group['urr']
data.urr = ProbabilityTables.from_hdf5(urr_group)
for temperature, tgroup in urr_group.items():
data.urr[temperature] = ProbabilityTables.from_hdf5(tgroup)
# Read fission energy release data
if 'fission_energy_release' in group:
@ -588,6 +597,8 @@ class IncidentNeutron(EqualityMixin):
data.summed_reactions[mt] = rx
# Read unresolved resonance probability tables
data.urr = ProbabilityTables.from_ace(ace)
urr = ProbabilityTables.from_ace(ace)
if urr is not None:
data.urr[strT] = urr
return data

3
src/nuclide_header.F90
View file

@ -280,6 +280,7 @@ module nuclide_header
do i = 1, size(this % reactions)
rx_group = open_group(rxs_group, 'reaction_' // trim(&
zero_padded(MTs % data(i), 3)))
call this % reactions(i) % from_hdf5(rx_group, my_temperature)
call close_group(rx_group)
end do
@ -290,7 +291,7 @@ module nuclide_header
if (exists) then
this % urr_present = .true.
allocate(this % urr_data)
urr_group = open_group(group_id, 'urr')
urr_group = open_group(group_id, 'urr/' // trim(my_temperature))
call this % urr_data % from_hdf5(urr_group)
! if the inelastic competition flag indicates that the inelastic cross

2
src/reaction_header.F90
View file

@ -55,8 +55,8 @@ contains
! Read cross section and threshold_idx data
xs_group = open_group(group_id, temperature)
call read_attribute(this % threshold, xs_group, 'threshold_idx')
xs = open_dataset(xs_group, 'xs')
call read_attribute(this % threshold, xs, 'threshold_idx')
call get_shape(xs, dims)
allocate(this % sigma(dims(1)))
call read_dataset(this % sigma, xs)