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Fixed mergeable tallies for use with MultiGroupXS subclasses in Python API

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This commit is contained in:
Will Boyd 2015-09-13 12:25:31 -04:00
parent ad981a6035
commit e663aa6ec8
3 changed files with 101 additions and 23 deletions
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29
openmc/filter.py
View file

@ -282,12 +282,39 @@ class Filter(object):
merged_filter = copy.deepcopy(self)
# Merge unique filter bins
merged_bins = list(set(self.bins + filter.bins))
merged_bins = list(set(list(self.bins) + list(filter.bins)))
merged_filter.bins = merged_bins
merged_filter.num_bins = len(merged_bins)
return merged_filter
def is_subset(self, other):
"""Determine if another filter is a subset of this filter.
If all of the bins in the other filter are included as bins in this
filter, then it is a subset of this filter.
Parameters
----------
other : Filter
The filter to query as a subset of this filter
Returns
-------
boolean
Whether or not the other filter is a subset of this filter
"""
if not isinstance(other, Filter):
return False
elif self.type != other.type:
return False
for bin in other.bins:
if bin not in self.bins:
return False
return True
def get_bin_index(self, filter_bin):
"""Returns the index in the Filter for some bin.

91
openmc/mgxs/mgxs.py
View file

@ -158,6 +158,10 @@ class MultiGroupXS(object):
def name(self):
return self._name
@property
def xs_type(self):
return self._xs_type
@property
def domain(self):
return self._domain
@ -280,7 +284,9 @@ class MultiGroupXS(object):
if subdomains != 'all':
cv.check_type('subdomains', subdomains, Iterable, Integral)
if subdomains == 'all':
if subdomains == 'all' and self.domain_type != 'distribcell':
indices = [0]
elif subdomains == 'all' and self.domain_type == 'distribcell':
tally = self.tallies.values()[0]
domain_filter = tally.find_filter(self.domain_type)
num_subdomains = domain_filter.num_bins
@ -331,7 +337,9 @@ class MultiGroupXS(object):
if indices != 'all':
cv.check_type('offsets', indices, Iterable, Integral)
if indices == 'all':
if indices == 'all' and self.domain_type != 'distribcell':
subdomains = [self.domain.id]
elif indices == 'all' and self.domain_type == 'distribcell':
tally = self.tallies.values()[0]
domain_filter = tally.find_filter(self.domain_type)
num_subdomains = domain_filter.num_bins
@ -382,6 +390,7 @@ class MultiGroupXS(object):
# Create a domain Filter object
domain_filter = openmc.Filter(self.domain_type, self.domain.id)
domain_filter.num_bins = 1
for score, key, filters in zip(scores, keys, all_filters):
self.tallies[key] = openmc.Tally(name=self.name)
@ -413,8 +422,14 @@ class MultiGroupXS(object):
statepoint.read_results()
# Create Tallies to search for in StatePoint
if self.tallies is None:
self.create_tallies()
self.create_tallies()
if self.domain_type == 'distribcell':
filters = []
filter_bins = []
else:
filters = [self.domain_type]
filter_bins = [(self.domain.id,)]
# Find, slice and store Tallies from StatePoint
# The tally slicing is needed if tally merging was used
@ -422,7 +437,8 @@ class MultiGroupXS(object):
sp_tally = statepoint.get_tally(tally.scores, tally.filters,
tally.nuclides,
estimator=tally.estimator)
sp_tally = sp_tally.get_slice(scores=tally.scores, nuclides=tally.nuclides)
sp_tally = sp_tally.get_slice(tally.scores, filters,
filter_bins, tally.nuclides)
self.tallies[tally_type] = sp_tally
def get_xs(self, groups='all', subdomains='all', value='mean'):
@ -575,7 +591,7 @@ class MultiGroupXS(object):
# Append cross-section data if it has been computed
if self.xs_tally is not None:
if subdomains == 'all':
subdomains = self.get_subdomain_indices()
subdomains = self.get_subdomains()
# Loop over all subdomains
for subdomain in subdomains:
@ -697,8 +713,7 @@ class MultiGroupXS(object):
import h5py
raise NotImplementedError('HDF5 storage is not yet implemented')
def export_xs_data(self, filename='mgxs', directory='mgxs', format='csv',
groups='indices', summary=None):
def export_xs_data(self, filename='mgxs', directory='mgxs', format='csv'):
"""Export the multi-group cross-section data to a file.
This routine leverages the functionality in the Pandas library to
@ -742,20 +757,41 @@ class MultiGroupXS(object):
filename = filename.replace(' ', '-')
# Get a Pandas DataFrame for the data
df = self.get_pandas_dataframe(groups, summary)
df = self.get_pandas_dataframe()
# Capitalize column label strings
df.columns = map(str.title, df.columns)
# Export the data using Pandas IO API
if format == 'csv':
df.to_csv(filename + '.csv')
df.to_csv(filename + '.csv', index=False)
elif format == 'excel':
# FIXME: Overwrite column CrossScores with scores
df.to_excel(filename + '.xls')
df.to_excel(filename + '.xls', index=False)
elif format == 'pickle':
df.to_pickle(filename + '.pkl')
elif format == 'latex':
if self.domain_type == 'distribcell':
msg = 'Unable to export distribcell multi-group cross-section' \
'data to a LaTeX table'
raise NotImplementedError(msg)
# FIXME: Insert greek letters
# FIXME: Need to put document header around string
df.to_latex(filename + '.tex')
df.to_latex(filename + '.tex', bold_rows=True,
longtable=True, index=False)
# Surround LaTeX table with code needed to run pdflatex
with open(filename + '.tex','r') as original:
data = original.read()
with open(filename + '.tex','w') as modified:
modified.write(
'\\documentclass[preview, 12pt, border=1mm]{standalone}\n')
modified.write('\\usepackage{caption}\n')
modified.write('\\usepackage{longtable}\n')
modified.write('\\usepackage{booktabs}\n')
modified.write('\\begin{document}\n\n')
modified.write(data)
modified.write('\n\\end{document}')
def get_pandas_dataframe(self, groups='indices', summary=None):
"""Build a Pandas DataFrame for the MultiGroupXS data.
@ -799,7 +835,7 @@ class MultiGroupXS(object):
df = self.xs_tally.get_pandas_dataframe(summary=summary)
# Remove the score column since it is homogeneous and redundant
if summary:
if summary and self.domain_type == 'distribcell':
df = df.drop('score', level=0, axis=1)
else:
df = df.drop('score', axis=1)
@ -836,7 +872,7 @@ class TotalXS(MultiGroupXS):
def __init__(self, domain=None, domain_type=None, groups=None, name=''):
super(TotalXS, self).__init__(domain, domain_type, groups, name)
self.xs_type = 'total'
self._xs_type = 'total'
def create_tallies(self):
"""Construct the OpenMC tallies needed to compute this cross-section."""
@ -849,6 +885,7 @@ class TotalXS(MultiGroupXS):
# Create the non-domain specific Filters for the Tallies
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energy_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter]]
# Initialize the Tallies
@ -867,7 +904,7 @@ class TransportXS(MultiGroupXS):
def __init__(self, domain=None, domain_type=None, groups=None, name=''):
super(TransportXS, self).__init__(domain, domain_type, groups, name)
self.xs_type = 'transport'
self._xs_type = 'transport'
def create_tallies(self):
"""Construct the OpenMC tallies needed to compute this cross-section."""
@ -881,6 +918,8 @@ class TransportXS(MultiGroupXS):
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energyout_filter = openmc.Filter('energyout', group_edges)
energy_filter.num_bins = self.num_groups
energyout_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter], [energyout_filter]]
# Initialize the Tallies
@ -905,7 +944,7 @@ class AbsorptionXS(MultiGroupXS):
def __init__(self, domain=None, domain_type=None, groups=None, name=''):
super(AbsorptionXS, self).__init__(domain, domain_type, groups, name)
self.xs_type = 'absorption'
self._xs_type = 'absorption'
def create_tallies(self):
"""Construct the OpenMC tallies needed to compute this cross-section."""
@ -918,6 +957,7 @@ class AbsorptionXS(MultiGroupXS):
# Create the non-domain specific Filters for the Tallies
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energy_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter]]
# Initialize the Tallies
@ -949,6 +989,7 @@ class CaptureXS(MultiGroupXS):
# Create the non-domain specific Filters for the Tallies
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energy_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter], [energy_filter]]
# Initialize the Tallies
@ -981,6 +1022,7 @@ class FissionXS(MultiGroupXS):
# Create the non-domain specific Filters for the Tallies
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energy_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter]]
# Initialize the Tallies
@ -1012,6 +1054,7 @@ class NuFissionXS(MultiGroupXS):
# Create the non-domain specific Filters for the Tallies
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energy_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter]]
# Initialize the Tallies
@ -1043,6 +1086,7 @@ class ScatterXS(MultiGroupXS):
# Create the non-domain specific Filters for the Tallies
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energy_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter]]
# Intialize the Tallies
@ -1074,6 +1118,7 @@ class NuScatterXS(MultiGroupXS):
# Create the non-domain specific Filters for the Tallies
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energy_filter.num_bins = self.num_groups
filters = [[energy_filter], [energy_filter]]
# Initialize the Tallies
@ -1100,6 +1145,8 @@ class ScatterMatrixXS(MultiGroupXS):
group_edges = self.energy_groups.group_edges
energy = openmc.Filter('energy', group_edges)
energyout = openmc.Filter('energyout', group_edges)
energy.num_bins = self.num_groups
energyout.num_bins = self.num_groups
# Create a list of scores for each Tally to be created
if correct:
@ -1236,7 +1283,7 @@ class ScatterMatrixXS(MultiGroupXS):
string += template.format('', group, bounds[0], bounds[1])
if subdomains == 'all':
subdomains = self.get_subdomain_indices()
subdomains = self.get_subdomains()
# Loop over all subdomains
for subdomain in subdomains:
@ -1269,7 +1316,7 @@ class NuScatterMatrixXS(ScatterMatrixXS):
def __init__(self, domain=None, domain_type=None, groups=None, name=''):
super(NuScatterMatrixXS, self).__init__(domain, domain_type, groups, name)
self.xs_type = 'nu-scatter matrix'
self._xs_type = 'nu-scatter matrix'
def create_tallies(self):
"""Construct the OpenMC tallies needed to compute this cross-section."""
@ -1283,6 +1330,8 @@ class NuScatterMatrixXS(ScatterMatrixXS):
group_edges = self.energy_groups.group_edges
energy = openmc.Filter('energy', group_edges)
energyout = openmc.Filter('energyout', group_edges)
energy.num_bins = self.num_groups
energyout.num_bins = self.num_groups
filters = [[energy], [energy, energyout], [energyout]]
# Intialize the Tallies
@ -1326,6 +1375,8 @@ class Chi(MultiGroupXS):
group_edges = self.energy_groups.group_edges
energy_filter = openmc.Filter('energy', group_edges)
energyout_filter = openmc.Filter('energyout', group_edges)
energy_filter.num_bins = self.num_groups
energyout_filter.num_bins = self.num_groups
filters = [[energy_filter], [energyout_filter]]
# Intialize the Tallies

4
openmc/statepoint.py
View file

@ -692,8 +692,8 @@ class StatePoint(object):
contains_filters = True
# Iterate over the Filters requested by the user
for filter in filters:
if filter not in test_tally.filters:
for filter, test_filter in zip(filters, test_tally.filters):
if not test_filter.is_subset(filter):
contains_filters = False
break