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The MGXS Library.build_hdf5_store(...) can now export by nuclide and subdomain

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This commit is contained in:
Will Boyd 2015-10-09 20:29:09 -04:00
parent a508c3b420
commit 8e536f8095
3 changed files with 71 additions and 34 deletions
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39
docs/source/pythonapi/examples/multi-group-cross-sections.ipynb
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File diff suppressed because one or more lines are too long

16
openmc/mgxs/library.py
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@ -387,7 +387,8 @@ class Library(object):
return condensed_library
def build_hdf5_store(self, filename='mgxs', directory='mgxs', xs_type='macro'):
def build_hdf5_store(self, filename='mgxs', directory='mgxs',
subdomains='all', nuclides='all', xs_type='macro'):
"""Export the multi-group cross section library to an HDF5 binary file.
This method constructs an HDF5 file which stores the library's
@ -405,6 +406,15 @@ class Library(object):
Filename for the HDF5 file. Defaults to 'mgxs'.
directory : str
Directory for the HDF5 file. Defaults to 'mgxs'.
subdomains : {'all', 'avg'}
Report all subdomains or the average of all subdomain cross sections
in the report. Defaults to 'all'.
nuclides : {'all', 'sum'}
The nuclides of the cross-sections to include in the report. This
may be a list of nuclide name strings (e.g., ['U-235', 'U-238']).
The special string 'all' will report the cross sections for all
nuclides in the spatial domain. The special string 'sum' will report
the cross sections summed over all nuclides. Defaults to 'all'.
xs_type: {'macro', 'micro'}
Store the macro or micro cross section in units of cm^-1 or barns.
Defaults to 'macro'.
@ -429,4 +439,8 @@ class Library(object):
for domain in self.domains:
for mgxs_type in self.mgxs_types:
mgxs = self.all_mgxs[domain.id][mgxs_type]
if subdomains == 'avg':
mgxs = mgxs.get_subdomain_avg_xs()
mgxs.build_hdf5_store(filename, directory, xs_type)

50
openmc/mgxs/mgxs.py
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@ -903,8 +903,8 @@ class MGXS(object):
print(string)
def build_hdf5_store(self, filename='mgxs', directory='mgxs',
xs_type='macro', append=True):
def build_hdf5_store(self, filename='mgxs', directory='mgxs', append=True,
subdomains='all', nuclides='all', xs_type='macro'):
"""Export the multi-group cross section data to an HDF5 binary file.
This method constructs an HDF5 file which stores the multi-group
@ -921,12 +921,21 @@ class MGXS(object):
Filename for the HDF5 file. Defaults to 'mgxs'.
directory : str
Directory for the HDF5 file. Defaults to 'mgxs'.
xs_type: {'macro', 'micro'}
Store the macro or micro cross section in units of cm^-1 or barns.
Defaults to 'macro'.
append : boolean
If true, appends to an existing HDF5 file with the same filename
directory (if one exists). Defaults to True.
subdomains : Iterable of Integral or 'all'
The subdomain IDs of the cross sections to include in the report.
Defaults to 'all'.
nuclides : Iterable of str or 'all' or 'sum'
The nuclides of the cross-sections to include in the report. This
may be a list of nuclide name strings (e.g., ['U-235', 'U-238']).
The special string 'all' will report the cross sections for all
nuclides in the spatial domain. The special string 'sum' will report
the cross sections summed over all nuclides. Defaults to 'all'.
xs_type: {'macro', 'micro'}
Store the macro or micro cross section in units of cm^-1 or barns.
Defaults to 'macro'.
Raises
------
@ -962,8 +971,29 @@ class MGXS(object):
else:
xs_results = h5py.File(filename, 'w')
# Construct a collection of the subdomains to report
if subdomains != 'all':
cv.check_iterable_type('subdomains', subdomains, Integral)
elif self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains, dtype=np.int)
else:
subdomains = [self.domain.id]
# Construct a collection of the nuclides to report
if self.by_nuclide:
if nuclides == 'all':
nuclides = self.get_all_nuclides()
densities = np.zeros(len(nuclides), dtype=np.float)
elif nuclides == 'sum':
nuclides = ['sum']
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
else:
nuclides = ['sum']
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
'''
if self.by_nuclide:
nuclides = self.domain.get_all_nuclides()
densities = np.zeros(len(nuclides), dtype=np.float)
@ -971,16 +1001,18 @@ class MGXS(object):
densities[i] = nuclides[nuclide][1]
else:
nuclides = ['sum']
'''
# Create an HDF5 group within the file for the domain
domain_type_group = xs_results.require_group(self.domain_type)
group_name = '{0} {1}'.format(self.domain_type, self.domain.id)
domain_group = domain_type_group.require_group(group_name)
domain_group = domain_type_group.require_group(str(self.domain.id))
if self.domain_type == 'distribcell':
'''
if subdomains == 'all' and self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains, dtype=np.int)
else:
subdomains = [self.domain.id]
'''
# Determine number of digits to pad subdomain group keys
num_digits = len(str(self.num_subdomains))
@ -990,7 +1022,7 @@ class MGXS(object):
# Create an HDF5 group for the subdomain
if self.domain_type == 'distribcell':
group_name = str(subdomain).zfill(num_digits)
group_name = ''.zfill(num_digits)
subdomain_group = domain_group.require_group(group_name)
else:
subdomain_group = domain_group