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Add reactions argument in Chain.from_endf

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This commit is contained in:
Paul Romano 2020-07-21 21:12:29 -05:00
parent 1703d2a3ca
commit 5b84c940f7
1 changed files with 17 additions and 13 deletions
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30
openmc/deplete/chain.py
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@ -37,7 +37,7 @@ from .nuclide import Nuclide, DecayTuple, ReactionTuple
# the mass number and dZ is the change in the atomic number
ReactionInfo = namedtuple('ReactionInfo', ('mts', 'dadz', 'secondaries'))
_REACTIONS = {
REACTIONS = {
'(n,2nd)': ReactionInfo({11}, (-3, -1), ('H2',)),
'(n,2n)': ReactionInfo(set(chain([16], range(875, 892))), (-1, 0), ()),
'(n,3n)': ReactionInfo({17}, (-2, 0), ()),
@ -124,10 +124,6 @@ _REACTIONS = {
'(n,5n2p)': ReactionInfo({200}, (-6, -2), ('H1', 'H1')),
}
TRANSMUTATION_REACTIONS = [
'(n,2n)', '(n,3n)', '(n,4n)', '(n,gamma)', '(n,p)', '(n,a)'
]
__all__ = ["Chain"]
@ -289,7 +285,10 @@ class Chain:
return len(self.nuclides)
@classmethod
def from_endf(cls, decay_files, fpy_files, neutron_files, progress=True):
def from_endf(cls, decay_files, fpy_files, neutron_files,
reactions=('(n,2n)', '(n,3n)', '(n,4n)', '(n,gamma)', '(n,p)', '(n,a)'),
progress=True
):
"""Create a depletion chain from ENDF files.
String arguments in ``decay_files``, ``fpy_files``, and
@ -305,6 +304,10 @@ class Chain:
List of ENDF neutron-induced fission product yield sub-library files
neutron_files : list of str or openmc.data.endf.Evaluation
List of ENDF neutron reaction sub-library files
reactions : iterable of str, optional
Transmutation reactions to include in the depletion chain, e.g.,
`["(n,2n)", "(n,gamma)"]`. Note that fission is always included if
it is present.
progress : bool, optional
Flag to print status messages during processing. Does not
effect warning messages
@ -324,7 +327,7 @@ class Chain:
3. Copy the yields of U235 if the previous two checks fail
"""
chain = cls()
transmutation_reactions = reactions
# Create dictionary mapping target to filename
if progress:
@ -366,6 +369,7 @@ class Chain:
missing_fpy = []
missing_fp = []
chain = cls()
for idx, parent in enumerate(sorted(decay_data, key=openmc.data.zam)):
data = decay_data[parent]
@ -401,8 +405,8 @@ class Chain:
fissionable = False
if parent in reactions:
reactions_available = set(reactions[parent].keys())
for name in TRANSMUTATION_REACTIONS:
mts, changes, _ = _REACTIONS[name]
for name in transmutation_reactions:
mts, changes, _ = REACTIONS[name]
if mts & reactions_available:
delta_A, delta_Z = changes
A = data.nuclide['mass_number'] + delta_A
@ -652,7 +656,7 @@ class Chain:
# Determine light nuclide production, e.g., (n,d) should
# produce H2
light_nucs = _REACTIONS[r_type].secondaries
light_nucs = REACTIONS[r_type].secondaries
for light_nuc in light_nucs:
k = self.nuclide_dict.get(light_nuc)
if k is not None:
@ -766,7 +770,7 @@ class Chain:
bad_sums = {}
# Secondary products, like alpha particles, should not be modified
secondary = _REACTIONS[reaction].secondaries
secondary = REACTIONS[reaction].secondaries
# Check for validity before manipulation
@ -1091,8 +1095,8 @@ class Chain:
continue
# Figure out if this reaction produces light nuclides
if rxn.type in _REACTIONS:
secondaries = _REACTIONS[rxn.type].secondaries
if rxn.type in REACTIONS:
secondaries = REACTIONS[rxn.type].secondaries
else:
secondaries = []