crp/OpenMC
1
0
Fork 0
mirror of https://github.com/openmc-dev/openmc.git synced 2026-07-27 21:55:41 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 5

Check that all capture parents and products exist before adding to Chain

Browse source 
Before modifying the existing Chain, ensure that all desired
products exist. Otherwise, the Chain will be unable to build
a depletion matrix in Chain.form_matrix

Added an optional argument, strict, that controls the error/print
control. If strict, then an KeyError will be raised at the first
parent or product that does not exist in the chain. Otherwise,
messages will be printed at the end.
This commit is contained in:
Andrew Johnson 2019-07-08 13:00:10 -05:00
parent 220f12c2a7
commit 5440edd637
No known key found for this signature in database
GPG key ID: 253418E91B7F6FEB
1 changed files with 41 additions and 8 deletions
Download patch file Download diff file Expand all files Collapse all files

49
openmc/deplete/chain.py
View file

@ -480,7 +480,7 @@ class Chain(object):
capt[nuclide.name] = nuc_capt
return capt
def set_capture_branches(self, branch_ratios):
def set_capture_branches(self, branch_ratios, strict=True):
"""Set the capture branching ratios
``branch_ratios`` may be modified in place, only to
@ -500,6 +500,13 @@ class Chain(object):
``"Am241"``. The capture branching ratios for these
parents will be modified. Corresponding values are
dictionaries of ``{target: branching_ratio}``
strict : bool
If this evalutes to ``True``, then all parents and
products must exist in the :class:`Chain`. A
:class:`KeyError` will be raised at the first
nuclide that does not exist. Otherwise, print
a warning message for missing parents and/or
products.
See Also
--------
@ -512,7 +519,8 @@ class Chain(object):
capt_ix_map = {}
grounds = {}
missing = set()
missing_parents = set()
missing_products = {}
no_capture = set()
# Check for validity before manipulation
@ -521,8 +529,24 @@ class Chain(object):
for parent, sub in branch_ratios.items():
if parent not in self:
# TODO How to handle missing branching ratios
missing.add(parent)
if strict:
raise KeyError(parent)
missing_parents.add(parent)
continue
# Make sure all products are present in the chain
prod_flag = False
for product in sub:
if product not in self.nuclide_dict:
if strict:
raise KeyError(product)
missing_products[parent] = product
prod_flag = True
break
if prod_flag:
continue
# Make sure this nuclide has capture reactions
@ -535,25 +559,34 @@ class Chain(object):
grounds[parent] = rx.target
if len(indexes) == 0:
if strict:
raise AttributeError(
"Nuclide {} does not have capture reactions in "
"this {}".format(parent, self.__class__.__name__))
no_capture.add(parent)
continue
capt_ix_map[parent] = indexes
check_type(parent, sub, dict, str)
check_type(parent + " ratios", list(sub.values()), list, float)
this_sum = sum(sub.values())
check_less_than(parent + " ratios", this_sum, 1.0, True)
sums[parent] = this_sum
if len(missing) > 0:
if len(missing_parents) > 0:
print("The following nuclides were not found in {}: {}".format(
self.__class__.__name__, ", ".join(sorted(missing))))
self.__class__.__name__, ", ".join(sorted(missing_parents))))
if len(no_capture) > 0:
print("The following nuclides did not have capture reactions: "
"{}".format(", ".join(sorted(no_capture))))
if len(missing_products) > 0:
tail = ("{} -> {}".format(k, v)
for k, v in sorted(missing_products.items()))
print("The following products were not found in the {} and "
"parents were unmodified: \n{}".format(
self.__class__.__name__, ", ".join(tail)))
# Insert new ReactionTuples with updated branch ratios
for parent_name, capt_index in capt_ix_map.items():