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Merge pull request #2392 from joshmay1/nuclide_determinism

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Order nuclides deterministically when adding from elements
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Paul Romano 2023-02-23 09:21:54 -06:00 • committed by GitHub
commit ed02703f4b
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2 changed files with 5 additions and 5 deletions
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2
openmc/data/data.py
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@ -492,7 +492,7 @@ def isotopes(element):
# Get the nuclides present in nature
result = []
for kv in sorted(NATURAL_ABUNDANCE.items()):
for kv in NATURAL_ABUNDANCE.items():
if re.match(r'{}\d+'.format(element), kv[0]):
result.append(kv)

8
openmc/element.py
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@ -4,7 +4,7 @@ from xml.etree import ElementTree as ET
import openmc.checkvalue as cv
import openmc
from openmc.data import NATURAL_ABUNDANCE, atomic_mass, \
from openmc.data import NATURAL_ABUNDANCE, atomic_mass, zam, \
isotopes as natural_isotopes
@ -147,8 +147,8 @@ class Element(str):
# and sort to avoid different ordering between Python 2 and 3.
mutual_nuclides = natural_nuclides.intersection(library_nuclides)
absent_nuclides = natural_nuclides.difference(mutual_nuclides)
mutual_nuclides = sorted(list(mutual_nuclides))
absent_nuclides = sorted(list(absent_nuclides))
mutual_nuclides = sorted(mutual_nuclides, key=zam)
absent_nuclides = sorted(absent_nuclides, key=zam)
# If all naturally occurring isotopes are present in the library,
# add them based on their abundance
@ -195,7 +195,7 @@ class Element(str):
# If a cross_section library is not present, expand the element into
# its natural nuclides
else:
for nuclide in natural_nuclides:
for nuclide in sorted(natural_nuclides, key=zam):
abundances[nuclide] = NATURAL_ABUNDANCE[nuclide]
# Modify mole fractions if enrichment provided