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addressed most of comments from @nelsonag

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This commit is contained in:
Sam Shaner 2016-10-18 23:11:17 -04:00
parent f7c3f80504
commit 857593ad47
4 changed files with 76 additions and 77 deletions
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137
openmc/mgxs_library.py
View file

@ -35,7 +35,7 @@ class XSdata(object):
temperatures : Iterable of float
Temperatures (in units of Kelvin) of the provided datasets. Defaults
to a single temperature at 294K.
delayed_groups : int
num_delayed_groups : int
Number of delayed groups
Attributes
@ -50,7 +50,7 @@ class XSdata(object):
to a single temperature at 294K.
energy_groups : openmc.mgxs.EnergyGroups
Energy group structure
delayed_groups : int
num_delayed_groups : int
Num delayed groups
fissionable : bool
Whether or not this is a fissionable data set.
@ -71,7 +71,8 @@ class XSdata(object):
is "angle".
num_polar : int
Number of equal width angular bins that the polar angular domain is
subdivided into. This only applies when ``representation`` is "angle".
subdivided into. This only applies when :attr:`XSdata.representation`
is "angle".
total : dict of numpy.ndarray
Group-wise total cross section.
absorption : dict of numpy.ndarray
@ -95,7 +96,7 @@ class XSdata(object):
approximation that the fission spectra does not depend on incoming
energy. If the user does not wish to make this approximation, then
this should not be provided and this information included in the
``nu_fission`` attribute instead.
:attr:`XSdata.nu_fission` attribute instead.
chi_prompt : dict of numpy.ndarray
Group-wise prompt fission spectra ordered by increasing group index
(i.e., fast to thermal). This attribute should be used if chi from
@ -121,12 +122,12 @@ class XSdata(object):
"""
def __init__(self, name, energy_groups, temperatures=[294.],
representation='isotropic', delayed_groups=0):
representation='isotropic', num_delayed_groups=0):
# Initialize class attributes
self.name = name
self.energy_groups = energy_groups
self.delayed_groups = delayed_groups
self.num_delayed_groups = num_delayed_groups
self.temperatures = temperatures
self.representation = representation
self._atomic_weight_ratio = None
@ -161,8 +162,8 @@ class XSdata(object):
return self._energy_groups
@property
def delayed_groups(self):
return self._delayed_groups
def num_delayed_groups(self):
return self._num_delayed_groups
@property
def representation(self):
@ -274,14 +275,15 @@ class XSdata(object):
self._energy_groups = energy_groups
@delayed_groups.setter
def delayed_groups(self, delayed_groups):
@num_delayed_groups.setter
def num_delayed_groups(self, num_delayed_groups):
# Check validity of delayed_groups
check_type('delayed_groups', delayed_groups, int)
check_greater_than('delayed_groups', delayed_groups, 0, equality=True)
# Check validity of num_delayed_groups
check_type('num_delayed_groups', num_delayed_groups, int)
check_greater_than('delayed_groups', num_delayed_groups, 0,
equality=True)
self._delayed_groups = delayed_groups
self._num_delayed_groups = num_delayed_groups
@representation.setter
def representation(self, representation):
@ -612,12 +614,12 @@ class XSdata(object):
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,),
(self.delayed_groups, self.energy_groups.num_groups)]
(self.num_delayed_groups, self.energy_groups.num_groups)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
(self.num_delayed_groups, self.num_polar,
self.num_azimuthal, self.energy_groups.num_groups)]
# Convert to a numpy array so we can easily get the shape for checking
chi_delayed = np.asarray(chi_delayed)
@ -648,12 +650,13 @@ class XSdata(object):
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.delayed_groups,),
(self.delayed_groups, self.energy_groups.num_groups)]
shapes = [(self.num_delayed_groups,),
(self.num_delayed_groups, self.energy_groups.num_groups)]
else:
shapes = [(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.delayed_groups, self.num_polar, self.num_azimuthal)]
shapes = [(self.num_delayed_groups, self.num_polar,
self.num_azimuthal, self.energy_groups.num_groups),
(self.num_delayed_groups, self.num_polar,
self.num_azimuthal)]
# Convert to a numpy array so we can easily get the shape for checking
beta = np.asarray(beta)
@ -686,12 +689,13 @@ class XSdata(object):
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.delayed_groups,),
(self.delayed_groups, self.energy_groups.num_groups)]
shapes = [(self.num_delayed_groups,),
(self.num_delayed_groups, self.energy_groups.num_groups)]
else:
shapes = [(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.delayed_groups, self.num_polar, self.num_azimuthal)]
shapes = [(self.num_delayed_groups, self.num_polar,
self.num_azimuthal, self.energy_groups.num_groups),
(self.num_delayed_groups, self.num_polar,
self.num_azimuthal)]
# Convert to a numpy array so we can easily get the shape for checking
decay_rate = np.asarray(decay_rate)
@ -879,10 +883,10 @@ class XSdata(object):
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.delayed_groups, self.energy_groups.num_groups,)]
shapes = [(self.num_delayed_groups, self.energy_groups.num_groups,)]
else:
shapes = [(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [(self.num_delayed_groups, self.num_polar,
self.num_azimuthal, self.energy_groups.num_groups)]
# Convert to a numpy array so we can easily get the shape for checking
delayed_nu_fission = np.asarray(delayed_nu_fission)
@ -965,8 +969,7 @@ class XSdata(object):
check_type('total', total, (openmc.mgxs.TotalXS,
openmc.mgxs.TransportXS))
check_value('energy_groups', total.energy_groups, [self.energy_groups])
check_value('domain_type', total.domain_type,
['universe', 'cell', 'material', 'mesh'])
check_value('domain_type', total.domain_type, openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1012,7 +1015,7 @@ class XSdata(object):
check_value('energy_groups', absorption.energy_groups,
[self.energy_groups])
check_value('domain_type', absorption.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1059,7 +1062,7 @@ class XSdata(object):
check_value('energy_groups', fission.energy_groups,
[self.energy_groups])
check_value('domain_type', fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1107,7 +1110,7 @@ class XSdata(object):
check_value('energy_groups', nu_fission.energy_groups,
[self.energy_groups])
check_value('domain_type', nu_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1159,7 +1162,7 @@ class XSdata(object):
check_value('energy_groups', prompt_nu_fission.energy_groups,
[self.energy_groups])
check_value('domain_type', prompt_nu_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1211,10 +1214,10 @@ class XSdata(object):
(openmc.mgxs.DelayedNuFissionXS,))
check_value('energy_groups', delayed_nu_fission.energy_groups,
[self.energy_groups])
check_value('delayed_groups', delayed_nu_fission.num_delayed_groups,
[self.delayed_groups])
check_value('num_delayed_groups', delayed_nu_fission.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', delayed_nu_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1267,7 +1270,7 @@ class XSdata(object):
check_value('energy_groups', k_fission.energy_groups,
[self.energy_groups])
check_value('domain_type', k_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1311,8 +1314,7 @@ class XSdata(object):
check_type('chi', chi, openmc.mgxs.Chi)
check_value('energy_groups', chi.energy_groups, [self.energy_groups])
check_value('domain_type', chi.domain_type,
['universe', 'cell', 'material', 'mesh'])
check_value('domain_type', chi.domain_type, openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1357,7 +1359,7 @@ class XSdata(object):
check_value('energy_groups', chi_prompt.energy_groups,
[self.energy_groups])
check_value('domain_type', chi_prompt.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1402,10 +1404,10 @@ class XSdata(object):
check_type('chi_delayed', chi_delayed, openmc.mgxs.ChiDelayed)
check_value('energy_groups', chi_delayed.energy_groups,
[self.energy_groups])
check_value('delayed_groups', chi_delayed.num_delayed_groups,
[self.delayed_groups])
check_value('num_delayed_groups', chi_delayed.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', chi_delayed.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1448,10 +1450,9 @@ class XSdata(object):
"""
check_type('beta', beta, openmc.mgxs.Beta)
check_value('delayed_groups', beta.num_delayed_groups,
[self.delayed_groups])
check_value('domain_type', beta.domain_type,
['universe', 'cell', 'material', 'mesh'])
check_value('num_delayed_groups', beta.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', beta.domain_type, openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1494,10 +1495,10 @@ class XSdata(object):
"""
check_type('decay_rate', decay_rate, openmc.mgxs.DecayRate)
check_value('delayed_groups', decay_rate.num_delayed_groups,
[self.delayed_groups])
check_value('num_delayed_groups', decay_rate.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', decay_rate.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1547,7 +1548,7 @@ class XSdata(object):
check_value('energy_groups', scatter.energy_groups,
[self.energy_groups])
check_value('domain_type', scatter.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1629,7 +1630,7 @@ class XSdata(object):
check_value('energy_groups', nuscatter.energy_groups,
[self.energy_groups])
check_value('domain_type', nuscatter.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1643,8 +1644,7 @@ class XSdata(object):
check_value('energy_groups', scatter.energy_groups,
[self.energy_groups])
check_value('domain_type', scatter.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
i = np.where(self.temperatures == temperature)[0][0]
if self.representation == 'isotropic':
nuscatt = nuscatter.get_xs(nuclides=nuclide,
@ -1876,22 +1876,22 @@ class MGXSLibrary(object):
----------
energy_groups : openmc.mgxs.EnergyGroups
Energy group structure
delayed_groups : int
num_delayed_groups : int
Num delayed groups
Attributes
----------
energy_groups : openmc.mgxs.EnergyGroups
Energy group structure.
delayed_groups : int
num_delayed_groups : int
Num delayed groups
xsdatas : Iterable of openmc.XSdata
Iterable of multi-Group cross section data objects
"""
def __init__(self, energy_groups, delayed_groups=0):
def __init__(self, energy_groups, num_delayed_groups=0):
self.energy_groups = energy_groups
self.delayed_groups = delayed_groups
self.num_delayed_groups = num_delayed_groups
self._xsdatas = []
@property
@ -1899,8 +1899,8 @@ class MGXSLibrary(object):
return self._energy_groups
@property
def delayed_groups(self):
return self._delayed_groups
def num_delayed_groups(self):
return self._num_delayed_groups
@property
def temperatures(self):
@ -1915,10 +1915,11 @@ class MGXSLibrary(object):
check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
self._energy_groups = energy_groups
@delayed_groups.setter
def delayed_groups(self, delayed_groups):
check_type('delayed groups', delayed_groups, int)
self._delayed_groups = delayed_groups
@num_delayed_groups.setter
def num_delayed_groups(self, num_delayed_groups):
check_type('num_delayed_groups', num_delayed_groups, int)
check_greater_than('delayed_groups', delayed_groups, 0, equality=True)
self._num_delayed_groups = num_delayed_groups
def add_xsdata(self, xsdata):
"""Add an XSdata entry to the file.
@ -1988,7 +1989,7 @@ class MGXSLibrary(object):
# Create and write to the HDF5 file
file = h5py.File(filename, "w")
file.attrs['energy_groups'] = self.energy_groups.num_groups
file.attrs['delayed_groups'] = self.delayed_groups
file.attrs['delayed_groups'] = self.num_delayed_groups
file.attrs['group structure'] = self.energy_groups.group_edges
for xsdata in self._xsdatas:

10
scripts/openmc-update-mgxs
View file

@ -85,13 +85,13 @@ if __name__ == '__main__':
temp = np.array(temp.split())
group_structure = temp.astype(np.float)
energy_groups = openmc.mgxs.EnergyGroups(group_structure)
temp = tree.find('inverse_velocities')
temp = tree.find('inverse-velocity')
if temp is not None:
temp = temp.text.strip()
temp = np.array(temp.split())
inverse_velocities = temp.astype(np.float)
inverse_velocity = temp.astype(np.float)
else:
inverse_velocities = None
inverse_velocity = None
xsd = []
names = []
@ -166,8 +166,8 @@ if __name__ == '__main__':
total.shape = xsd[i].vector_shape
xsd[i].set_total(total, temperature)
if inverse_velocities is not None:
xsd[i].set_inverse_velocities(inverse_velocities, temperature)
if inverse_velocity is not None:
xsd[i].set_inverse_velocity(inverse_velocity, temperature)
temp = get_data(xsdata_elem, 'absorption')
temp = np.array(temp.split())

2
src/input_xml.F90
View file

@ -4665,8 +4665,6 @@ contains
call read_attribute(num_delayed_groups, file_id, "delayed_groups")
else
num_delayed_groups = 0
call write_message("WARNING: delayed_groups element not provided so &
&number of delayed groups set to 0")
end if
allocate(rev_energy_bins(num_energy_groups + 1))

4
src/tally.F90
View file

@ -1250,10 +1250,10 @@ contains
if (i_nuclide > 0) then
score = score * nucxs % get_xs('inverse-velocity', p_g, UVW=p_uvw) &
/ nucxs % get_xs('total', p_g, UVW=p_uvw) * flux
/ matxs % get_xs('absorption', p_g, UVW=p_uvw) * flux
else
score = score * matxs % get_xs('inverse-velocity', p_g, UVW=p_uvw) &
/ matxs % get_xs('total', p_g, UVW=p_uvw) * flux
/ matxs % get_xs('absorption', p_g, UVW=p_uvw) * flux
end if
else