def _expandElementMassFracs(self):
"""
Expand the custom isotopics input entries that are elementals to isotopics.
This is necessary when the element name is not a elemental nuclide.
Most everywhere else expects Nuclide objects (or nuclide names). This input allows a
user to enter "U" which would expand to the naturally occurring uranium isotopics.
This is different than the isotopic expansion done for meeting user-specified
modeling options (such as an MC**2, or MCNP expecting elements or isotopes),
because it translates the user input into something that can be used later on.
"""
elementsToExpand = []
for nucName in self.massFracs:
if nucName not in nuclideBases.byName:
element = elements.bySymbol.get(nucName)
if element is not None:
runLog.info(
"Expanding custom isotopic `{}` element `{}` to natural isotopics"
.format(self.name, nucName))
# include all natural isotopes with None flag
elementsToExpand.append((element, None))
else:
raise exceptions.InputError(
"Unrecognized nuclide/isotope/element in input: {}".
format(nucName))
densityTools.expandElementalMassFracsToNuclides(
self.massFracs, elementsToExpand)
def expandElementals(mat, blueprint):
"""
Expand elements to isotopics during material construction.
Does so as required by modeling options or user input.
See Also
--------
armi.reactor.blueprints.Blueprints._resolveNuclides
Sets the metadata defining this behavior.
"""
elementExpansionPairs = []
for elementToExpand in blueprint.elementsToExpand:
if elementToExpand.symbol not in mat.p.massFrac:
continue
nucFlags = blueprint.nuclideFlags.get(elementToExpand.symbol)
nuclidesToBecome = (
[nuclideBases.byName[nn] for nn in nucFlags.expandTo]
if (nucFlags and nucFlags.expandTo)
else None
)
elementExpansionPairs.append((elementToExpand, nuclidesToBecome))
densityTools.expandElementalMassFracsToNuclides(
mat.p.massFrac, elementExpansionPairs
)
def _constructMaterial(self, blueprint, matMods):
nucsInProblem = blueprint.allNuclidesInProblem
mat = materials.resolveMaterialClassByName(
self.material)() # make material with defaults
if self.isotopics is not None:
blueprint.customIsotopics.apply(mat, self.isotopics)
appliedMatMods = False
if any(matMods):
try:
mat.applyInputParams(
**matMods
) # update material with updated input params from YAML file.
appliedMatMods = True
except TypeError:
# This component does not accept material modification inputs of the names passed in
# Keep going since the modification could work for another component
pass
# expand elementals
densityTools.expandElementalMassFracsToNuclides(
mat.p.massFrac, blueprint.elementsToExpand)
missing = set(mat.p.massFrac.keys()).difference(nucsInProblem)
if missing:
raise exceptions.ConsistencyError(
"The nuclides {} are present in material {} by compositions, but are not "
"specified in the input file. They need to be added.".format(
missing, mat))
return mat, appliedMatMods
def test_expandElementalMassFracsToNuclides(self):
element = elements.bySymbol["N"]
mass = {"N": 1.0}
densityTools.expandElementalMassFracsToNuclides(mass, [element])
self.assertNotIn("N", mass)
self.assertIn("N15", mass)
self.assertIn("N14", mass)
self.assertAlmostEqual(sum(mass.values()), 1.0)
self.assertNotIn("N13", mass) # nothing unnatural.
def setDefaultMassFracs(self):
massFrac = {"H": 2.0 / 3.0, "O": 1.0 / 3.0}
elements = [
nuclideBases.elements.bySymbol["H"],
nuclideBases.elements.bySymbol["O"],
]
densityTools.expandElementalMassFracsToNuclides(massFrac, elements)
for nucName, mfrac in massFrac.items():
self.setMassFrac(nucName, mfrac)
def test_expandElementalZeroMassFrac(self):
"""As above, but try with a zero mass frac elemental."""
elementals = [elements.bySymbol["N"], elements.bySymbol["O"]]
mass = {"N": 0.0, "O": 1.0}
densityTools.expandElementalMassFracsToNuclides(mass, elementals)
self.assertNotIn("N", mass)
self.assertNotIn("O", mass)
# Current expectation is for elements with zero mass fraction get expanded and
# isotopes with zero mass remain in the dictionary.
self.assertIn("N14", mass)
self.assertAlmostEqual(sum(mass.values()), 1.0)
