mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-27 13:45:36 -04:00
Incorporated ability to transfer from Library to MGXS_Library. Didnt test yet.
This commit is contained in:
Adam Nelson
parent
d2018de8ec
commit
e1f70b40d4
2 changed files with 260 additions and 92 deletions
|
|
@ -4,6 +4,8 @@ import copy
|
|||
import pickle
|
||||
from numbers import Integral
|
||||
from collections import OrderedDict
|
||||
import numpy as np
|
||||
import warnings.warn as warn
|
||||
|
||||
import openmc
|
||||
import openmc.mgxs
|
||||
|
|
@ -712,3 +714,169 @@ class Library(object):
|
|||
|
||||
# Load and return pickled Library object
|
||||
return pickle.load(open(full_filename, 'rb'))
|
||||
|
||||
def write_mg_library(self, xs_type='micro', domain_names=None, xs_ids=None,
|
||||
filename='mg_cross_sections', directory='./'):
|
||||
"""Create a cross-section data library file for the Multi-Group
|
||||
mode of OpenMC.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
xs_type: {'macro', 'micro'}
|
||||
Provide the macro or micro cross section in units of cm^-1 or
|
||||
barns. Defaults to 'macro'. If the Library object is not tallied by
|
||||
nuclide this will be set to 'macro' regardless
|
||||
domain_names : Iterable of str
|
||||
List of names to apply to the xsdata entries in the
|
||||
resultant mgxs data file. Defaults to "set1", "set2", ...
|
||||
xs_ids : str or Iterable of str
|
||||
Cross section set identifier (i.e., "71c") for all
|
||||
data sets (if only str) or for each individual one
|
||||
(if iterable of str). Defaults to '1g'
|
||||
filename : str
|
||||
Filename for the pickle file. Defaults to 'mg_cross_sections'.
|
||||
directory : str
|
||||
Directory for the pickle file. Defaults to './' (the
|
||||
current working directory).
|
||||
|
||||
See also
|
||||
--------
|
||||
Library.dump_to_file(mgxs_lib, filename, directory)
|
||||
|
||||
"""
|
||||
|
||||
# Check data types provided
|
||||
|
||||
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
|
||||
if not self.by_nuclide:
|
||||
xs_type = 'macro'
|
||||
if domain_names is not None:
|
||||
cv.check_iterable_type('domain_names', filename, basestring)
|
||||
if xs_ids is not None:
|
||||
if isinstance(xs_ids, basestring):
|
||||
# If we only have a string lets convert it now to a list
|
||||
# of strings.
|
||||
xs_ids = [xs_ids for i in range(len(self.domains))]
|
||||
else:
|
||||
cv.check_iterable_type('xs_ids', xs_ids, basestring)
|
||||
else:
|
||||
xs_ids = ['.1g']
|
||||
cv.check_type('filename', filename, basestring)
|
||||
cv.check_type('directory', directory, basestring)
|
||||
|
||||
# Make directory if it does not exist
|
||||
if not os.path.exists(directory):
|
||||
os.makedirs(directory)
|
||||
|
||||
full_filename = os.path.join(directory, filename + '.xml')
|
||||
full_filename = full_filename.replace(' ', '-')
|
||||
|
||||
# Initialize file
|
||||
mgxs_file = openmc.MGXSLibrary(self.energy_groups)
|
||||
|
||||
# Set the scattering order as isotropic until
|
||||
# support for higher orders are included
|
||||
order = 0
|
||||
|
||||
# Build XSdata objects
|
||||
xsdatas = []
|
||||
for i in range(len(self.domains)):
|
||||
id = self.domains[i].id
|
||||
if not self.by_nuclide:
|
||||
# Use k instead of i simply because k will be used for
|
||||
# the nuclide index in the else part of this conditional
|
||||
# and using k allows us to use the same code.
|
||||
k = i
|
||||
# Build & add metadata to XSdata object
|
||||
# (Use i here because k in nuclides will add chars to this)
|
||||
if domain_names is None:
|
||||
name = 'set' + str(i + 1)
|
||||
else:
|
||||
name = domain_names[i]
|
||||
name += xs_ids[k]
|
||||
xsdata = openmc.XSdata(name, self.energy_groups)
|
||||
xsdata.order = order
|
||||
|
||||
# Now get xs data itself
|
||||
if 'total' in self.mgxs_types:
|
||||
xsdata.set_total(self.all_mgxs[id]['total'],
|
||||
xs_type=xs_type, subdomains=(k + 1,))
|
||||
if 'absorption' in self.mgxs_types:
|
||||
xsdata.set_absorption(self.all_mgxs[id]['absorption'],
|
||||
xs_type=xs_type, subdomains=(k + 1,))
|
||||
if 'fission' in self.mgxs_types:
|
||||
xsdata.set_fission(self.all_mgxs[id]['fission'],
|
||||
xs_type=xs_type, subdomains=(k + 1,))
|
||||
if 'kappa-fission' in self.mgxs_types:
|
||||
xsdata.set_k_fission(self.all_mgxs[id]['kappa-fission'],
|
||||
xs_type=xs_type, subdomains=(k + 1,))
|
||||
if 'chi' in self.mgxs_types:
|
||||
xsdata.set_chi(self.all_mgxs[id]['chi'],
|
||||
xs_type=xs_type, subdomains=(k + 1,))
|
||||
if 'nu-fission' in self.mgxs_types:
|
||||
xsdata.set_nu_fission(self.all_mgxs[id]['nu-fission'],
|
||||
xs_type=xs_type, subdomains=(k + 1,))
|
||||
# multiplicity requires scatter and nu-scatter
|
||||
if (('scatter' in self.mgxs_types) and ('nu-scatter' in
|
||||
self.mgxs_types)):
|
||||
xsdata.set_multiplicity(self.all_mgxs[id]['nu-scatter'],
|
||||
self.all_mgxs[id]['scatter'],
|
||||
xs_type=xs_type,
|
||||
subdomains=(k + 1,))
|
||||
using_multiplicity = True
|
||||
else:
|
||||
using_multiplicity = False
|
||||
|
||||
if using_multiplicity:
|
||||
xsdata.set_scatter(self.all_mgxs[id]['scatter'],
|
||||
xs_type=xs_type,
|
||||
subdomains=(k + 1,))
|
||||
else:
|
||||
if 'nu-scatter' in self.mgxs_types:
|
||||
xsdata.set_scatter(self.all_mgxs[id]['nu-scatter'],
|
||||
xs_type=xs_type,
|
||||
subdomains=(k + 1,))
|
||||
# Since we are not using multiplicity, then
|
||||
# scattering multiplication (nu-scatter) must be
|
||||
# accounted for approximately by using an adjusted
|
||||
# absorption cross section.
|
||||
if self.total is not None:
|
||||
xsdata.absorption = \
|
||||
np.subtract(xsdata.total,
|
||||
np.sum(xsdata.scatter[0, :, :],
|
||||
axis=1))
|
||||
else:
|
||||
# Total isnt included so we cant do the above
|
||||
# approximation w/out changing absorption instead.
|
||||
# That can be done with:
|
||||
# SigA' = SigA - (nuSigS - SigS)
|
||||
# Doing so would mean essentially duplicating
|
||||
# set_scatter from MGXSLibrary to obtain the
|
||||
# SigS, which would be big and ugly once
|
||||
# angle filters are available.
|
||||
# Instead, raise a warning about the
|
||||
# lack of neutron balance and then use scatter
|
||||
# instead of nu-scatter
|
||||
if 'scatter' in self.mgxs_types:
|
||||
msg = "To properly use the 'nu-scatter' " + \
|
||||
"MGXS type and maintain neutron " + \
|
||||
"balance, a 'total' MGXS type " + \
|
||||
"should be provided."
|
||||
warn(msg)
|
||||
xsdata.set_scatter(
|
||||
self.all_mgxs[id]['scatter'],
|
||||
xs_type=xs_type, subdomains=(k + 1,))
|
||||
else:
|
||||
# Welp, cant do that either. Quit while ahead.
|
||||
msg = "Total X/S must be provided if using" + \
|
||||
" nu-scatter as the scattering data"
|
||||
raise ValueError(msg)
|
||||
|
||||
xsdatas.append(xsdata)
|
||||
else:
|
||||
pass
|
||||
|
||||
# Add XSdatas to file
|
||||
|
||||
# Finally, write the file
|
||||
mgxs_file.export_to_xml(full_filename)
|
||||
|
|
|
|||
|
|
@ -739,6 +739,98 @@ class XSdata(object):
|
|||
'required, "{1}"'.format(fission.shape, shape)
|
||||
raise ValueError(msg)
|
||||
|
||||
def set_nu_fission(self, nu_fission, **kwargs):
|
||||
# The NuFissionXS class does not have the capability to produce
|
||||
# a fission matrix and therefore if this path is pursued, we know
|
||||
# chi must be used.
|
||||
if isinstance(nu_fission, openmc.mgxs.NuFissionXS):
|
||||
# Make sure passed MGXS object contains correct group structure
|
||||
if self.energy_groups != nu_fission.energy_groups:
|
||||
msg = 'Group structure of provided NuFissionXS does not match'\
|
||||
' group structure of XSdata object'
|
||||
raise ValueError(msg)
|
||||
# Get openmc.mgxs.get_xs() arguments from kwargs
|
||||
# nuclides, xs_type, and value will have sane defaults but can be
|
||||
# overridden by kwards
|
||||
if 'nuclides' in kwargs:
|
||||
nuclides = kwargs['nuclides']
|
||||
else:
|
||||
nuclides = 'sum'
|
||||
if 'xs_type' in kwargs:
|
||||
xs_type = kwargs['xs_type']
|
||||
else:
|
||||
xs_type = 'macro'
|
||||
if 'value' in kwargs:
|
||||
value = kwargs['value']
|
||||
else:
|
||||
value = 'mean'
|
||||
# subdomains is required from the kwargs as this is specific to
|
||||
# this XSdata object.
|
||||
if 'subdomains' in kwargs:
|
||||
subdomains = kwargs['subdomains']
|
||||
else:
|
||||
msg = "Argument 'subdomains' is required"
|
||||
raise ValueError(msg)
|
||||
|
||||
if self._representation is 'isotropic':
|
||||
self._nu_fission = nu_fission.get_xs(subdomains=subdomains,
|
||||
nuclides=nuclides,
|
||||
xs_type=xs_type,
|
||||
value=value)
|
||||
elif self._representation is 'angle':
|
||||
# Not yet implemented as MGXS do not yet support this
|
||||
pass
|
||||
|
||||
self._use_chi = True
|
||||
|
||||
else:
|
||||
# nu_fission can be given as a vector or a matrix
|
||||
# Vector is used when chi also exists.
|
||||
# Matrix is used when chi does not exist.
|
||||
# We have to check that the correct form is given, but only if
|
||||
# chi already has been set. If not, we just check that this is OK
|
||||
# and set the use_chi flag accordingly
|
||||
|
||||
# First lets set our dimensions here since they get used repeatedly
|
||||
# throughout this code.
|
||||
if self._representation is 'isotropic':
|
||||
shape_vec = (self._energy_groups.num_groups,)
|
||||
shape_mat = (self._energy_groups.num_groups,
|
||||
self._energy_groups.num_groups)
|
||||
elif self._representation is 'angle':
|
||||
shape_vec = (self._num_polar, self._num_azimuthal,
|
||||
self._energy_groups.num_groups)
|
||||
shape_mat = (self._num_polar, self._num_azimuthal,
|
||||
self._energy_groups.num_groups,
|
||||
self._energy_groups.num_groups)
|
||||
|
||||
# Begin by checking the case when chi has already been given and
|
||||
# thus the rules for filling in nu_fission are set.
|
||||
if self._use_chi is not None:
|
||||
if self._use_chi:
|
||||
shape = shape_vec
|
||||
else:
|
||||
shape = shape_mat
|
||||
if nu_fission.shape != shape:
|
||||
msg = "Invalid Shape of Nu_fission!"
|
||||
raise ValueError(msg)
|
||||
else:
|
||||
# Get shape of nu_fission to determine if we need chi or not
|
||||
if nu_fission.shape == shape_vec:
|
||||
self._use_chi = True
|
||||
elif nu_fission.shape == shape_mat:
|
||||
self._use_chi = False
|
||||
else:
|
||||
msg = "Invalid Shape of Nu_fission!"
|
||||
raise ValueError(msg)
|
||||
|
||||
# check we have a numpy list
|
||||
check_type("nu_fission", nu_fission, np.ndarray,
|
||||
expected_iter_type=Real)
|
||||
self._nu_fission = np.copy(nu_fission)
|
||||
if np.sum(self._nu_fission) > 0.0:
|
||||
self._fissionable = True
|
||||
|
||||
def set_k_fission(self, k_fission, **kwargs):
|
||||
if isinstance(k_fission, openmc.mgxs.KappaFissionXS):
|
||||
# Make sure passed MGXS object contains correct group structure
|
||||
|
|
@ -986,98 +1078,6 @@ class XSdata(object):
|
|||
' required, "{1}"'.format(multiplicity.shape, shape)
|
||||
raise ValueError(msg)
|
||||
|
||||
def set_nu_fission(self, nu_fission, **kwargs):
|
||||
# The NuFissionXS class does not have the capability to produce
|
||||
# a fission matrix and therefore if this path is pursued, we know
|
||||
# chi must be used.
|
||||
if isinstance(nu_fission, openmc.mgxs.NuFissionXS):
|
||||
# Make sure passed MGXS object contains correct group structure
|
||||
if self.energy_groups != nu_fission.energy_groups:
|
||||
msg = 'Group structure of provided NuFissionXS does not match'\
|
||||
' group structure of XSdata object'
|
||||
raise ValueError(msg)
|
||||
# Get openmc.mgxs.get_xs() arguments from kwargs
|
||||
# nuclides, xs_type, and value will have sane defaults but can be
|
||||
# overridden by kwards
|
||||
if 'nuclides' in kwargs:
|
||||
nuclides = kwargs['nuclides']
|
||||
else:
|
||||
nuclides = 'sum'
|
||||
if 'xs_type' in kwargs:
|
||||
xs_type = kwargs['xs_type']
|
||||
else:
|
||||
xs_type = 'macro'
|
||||
if 'value' in kwargs:
|
||||
value = kwargs['value']
|
||||
else:
|
||||
value = 'mean'
|
||||
# subdomains is required from the kwargs as this is specific to
|
||||
# this XSdata object.
|
||||
if 'subdomains' in kwargs:
|
||||
subdomains = kwargs['subdomains']
|
||||
else:
|
||||
msg = "Argument 'subdomains' is required"
|
||||
raise ValueError(msg)
|
||||
|
||||
if self._representation is 'isotropic':
|
||||
self._nu_fission = nu_fission.get_xs(subdomains=subdomains,
|
||||
nuclides=nuclides,
|
||||
xs_type=xs_type,
|
||||
value=value)
|
||||
elif self._representation is 'angle':
|
||||
# Not yet implemented as MGXS do not yet support this
|
||||
pass
|
||||
|
||||
self._use_chi = True
|
||||
|
||||
else:
|
||||
# nu_fission can be given as a vector or a matrix
|
||||
# Vector is used when chi also exists.
|
||||
# Matrix is used when chi does not exist.
|
||||
# We have to check that the correct form is given, but only if
|
||||
# chi already has been set. If not, we just check that this is OK
|
||||
# and set the use_chi flag accordingly
|
||||
|
||||
# First lets set our dimensions here since they get used repeatedly
|
||||
# throughout this code.
|
||||
if self._representation is 'isotropic':
|
||||
shape_vec = (self._energy_groups.num_groups,)
|
||||
shape_mat = (self._energy_groups.num_groups,
|
||||
self._energy_groups.num_groups)
|
||||
elif self._representation is 'angle':
|
||||
shape_vec = (self._num_polar, self._num_azimuthal,
|
||||
self._energy_groups.num_groups)
|
||||
shape_mat = (self._num_polar, self._num_azimuthal,
|
||||
self._energy_groups.num_groups,
|
||||
self._energy_groups.num_groups)
|
||||
|
||||
# Begin by checking the case when chi has already been given and
|
||||
# thus the rules for filling in nu_fission are set.
|
||||
if self._use_chi is not None:
|
||||
if self._use_chi:
|
||||
shape = shape_vec
|
||||
else:
|
||||
shape = shape_mat
|
||||
if nu_fission.shape != shape:
|
||||
msg = "Invalid Shape of Nu_fission!"
|
||||
raise ValueError(msg)
|
||||
else:
|
||||
# Get shape of nu_fission to determine if we need chi or not
|
||||
if nu_fission.shape == shape_vec:
|
||||
self._use_chi = True
|
||||
elif nu_fission.shape == shape_mat:
|
||||
self._use_chi = False
|
||||
else:
|
||||
msg = "Invalid Shape of Nu_fission!"
|
||||
raise ValueError(msg)
|
||||
|
||||
# check we have a numpy list
|
||||
check_type("nu_fission", nu_fission, np.ndarray,
|
||||
expected_iter_type=Real)
|
||||
self._nu_fission = np.copy(nu_fission)
|
||||
if np.sum(self._nu_fission) > 0.0:
|
||||
self._fissionable = True
|
||||
|
||||
def _get_xsdata_xml(self):
|
||||
element = ET.Element("xsdata")
|
||||
element.set("name", self._name)
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue