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Add two methods on Nuclide: add_decay_mode and add_reaction
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Paul Romano
parent
1d187b3a8a
commit
d83b9568c9
2 changed files with 81 additions and 62 deletions
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@ -415,7 +415,7 @@ class Chain:
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for m in data.modes[:-1])
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# Append decay mode
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nuclide.decay_modes.append(DecayTuple(type_, target, br))
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nuclide.add_decay_mode(type_, target, br)
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fissionable = False
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if parent in reactions:
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@ -441,47 +441,44 @@ class Chain:
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else:
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q_value = 0.0
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nuclide.reactions.append(ReactionTuple(
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name, daughter, q_value, 1.0))
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nuclide.add_reaction(name, daughter, q_value, 1.0)
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if any(mt in reactions_available for mt in openmc.data.FISSION_MTS):
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q_value = reactions[parent][18]
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nuclide.reactions.append(
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ReactionTuple('fission', None, q_value, 1.0))
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nuclide.add_reaction('fission', None, q_value, 1.0)
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fissionable = True
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if fissionable:
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if parent in fpy_data:
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fpy = fpy_data[parent]
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if fpy.energies is not None:
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yield_energies = fpy.energies
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else:
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yield_energies = [0.0]
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yield_data = {}
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for E, yield_table in zip(yield_energies, fpy.independent):
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yield_replace = 0.0
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yields = defaultdict(float)
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for product, y in yield_table.items():
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# Handle fission products that have no decay data
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if product not in decay_data:
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daughter = replace_missing(product, decay_data)
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product = daughter
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yield_replace += y.nominal_value
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yields[product] += y.nominal_value
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if yield_replace > 0.0:
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missing_fp.append((parent, E, yield_replace))
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yield_data[E] = yields
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nuclide.yield_data = FissionYieldDistribution(yield_data)
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else:
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nuclide._fpy = replace_missing_fpy(parent, fpy_data, decay_data)
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missing_fpy.append((parent, nuclide._fpy))
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continue
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if fpy.energies is not None:
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yield_energies = fpy.energies
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else:
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yield_energies = [0.0]
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yield_data = {}
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for E, yield_table in zip(yield_energies, fpy.independent):
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yield_replace = 0.0
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yields = defaultdict(float)
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for product, y in yield_table.items():
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# Handle fission products that have no decay data
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if product not in decay_data:
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daughter = replace_missing(product, decay_data)
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product = daughter
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yield_replace += y.nominal_value
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yields[product] += y.nominal_value
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if yield_replace > 0.0:
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missing_fp.append((parent, E, yield_replace))
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yield_data[E] = yields
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nuclide.yield_data = FissionYieldDistribution(yield_data)
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# Add nuclide to chain
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chain.add_nuclide(nuclide)
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@ -881,8 +878,7 @@ class Chain:
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all_meta = True
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for target, br in new_ratios.items():
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all_meta = all_meta and ("_m" in target)
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parent.reactions.append(ReactionTuple(
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reaction, target, rxn_Q, br))
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parent.add_reaction(reaction, target, rxn_Q, br)
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# If branching ratios don't add to unity, add reaction to ground
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# with remainder of branching ratio
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@ -893,8 +889,7 @@ class Chain:
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pz, pa, pm = zam(parent_name)
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ground_target = gnd_name(pz, pa + 1, 0)
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new_ratios[ground_target] = ground_br
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parent.reactions.append(ReactionTuple(
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reaction, ground_target, rxn_Q, ground_br))
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parent.add_reaction(reaction, ground_target, rxn_Q, ground_br)
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@property
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def fission_yields(self):
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@ -1018,9 +1013,7 @@ class Chain:
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# Avoid re-sorting for fission yields
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name_sort = sorted(all_isotopes)
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nuclides = []
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nuclide_dict = {}
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reactions = set()
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new_chain = type(self)()
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for idx, iso in enumerate(sorted(all_isotopes, key=openmc.data.zam)):
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previous = self[iso]
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@ -1030,44 +1023,29 @@ class Chain:
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if hasattr(previous, '_fpy'):
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new_nuclide._fpy = previous._fpy
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new_decay = []
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for mode in previous.decay_modes:
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if mode.target in all_isotopes:
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new_decay.append(mode)
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new_nuclide.add_decay_mode(*mode)
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else:
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new_decay.append(DecayTuple(
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mode.type, None, mode.branching_ratio))
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new_nuclide.decay_modes = new_decay
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new_nuclide.add_decay_mode(mode.type, None, mode.branching_ratio)
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new_reactions = []
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for rxn in previous.reactions:
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if rxn.target in all_isotopes:
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new_reactions.append(rxn)
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reactions.add(rxn.type)
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elif rxn.type == "fission":
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for rx in previous.reactions:
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if rx.target in all_isotopes:
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new_nuclide.add_reaction(*rx)
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elif rx.type == "fission":
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new_yields = new_nuclide.yield_data = (
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previous.yield_data.restrict_products(name_sort))
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if new_yields is not None:
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new_reactions.append(rxn)
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reactions.add("fission")
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new_nuclide.add_reaction(*rx)
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# Maintain total destruction rates but set no target
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else:
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new_reactions.append(ReactionTuple(
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rxn.type, None, rxn.Q, rxn.branching_ratio))
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reactions.add(rxn.type)
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new_nuclide.add_reaction(rx.type, None, rx.Q, rx.branching_ratio)
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new_nuclide.reactions = new_reactions
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nuclides.append(new_nuclide)
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nuclide_dict[iso] = idx
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new_chain = type(self)()
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new_chain.nuclides = nuclides
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new_chain.nuclide_dict = nuclide_dict
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new_chain.add_nuclide(new_nuclide)
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# Doesn't appear that the ordering matters for the reactions,
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# just the contents
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new_chain.reactions = sorted(reactions)
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new_chain.reactions = sorted(new_chain.reactions)
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return new_chain
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@ -154,6 +154,47 @@ class Nuclide:
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return None
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return self.yield_data.energies
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def add_decay_mode(self, type, target, branching_ratio):
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"""Add decay mode to the nuclide
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Parameters
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----------
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type : str
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Type of the decay mode, e.g., 'beta-'
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target : str or None
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Nuclide resulting from decay. A value of ``None`` implies the
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target does not exist in the currently configured depletion
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chain
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branching_ratio : float
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Branching ratio of the decay mode
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"""
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self.decay_modes.append(
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DecayTuple(type, target, branching_ratio)
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)
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def add_reaction(self, type, target, Q, branching_ratio):
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"""Add transmutation reaction to the nuclide
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Parameters
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----------
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type : str
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Type of the reaction, e.g., 'fission'
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target : str or None
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Nuclide resulting from reaction. A value of ``None``
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implies either no single target, e.g. from fission,
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or that the target nuclide is not considered
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in the current depletion chain
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Q : float
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Q value of the reaction in [eV]
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branching_ratio : float
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Branching ratio of the reaction
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"""
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self.reactions.append(
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ReactionTuple(type, target, Q, branching_ratio)
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)
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@classmethod
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def from_xml(cls, element, root=None, fission_q=None):
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"""Read nuclide from an XML element.
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