def test_get_set_chain_br(simple_chain):
"""Test minor modifications to capture branch ratios"""
expected = {"C": {"A": 0.7, "B": 0.3}}
assert simple_chain.get_branch_ratios() == expected
# safely modify
new_chain = Chain.from_xml("chain_test.xml")
new_br = {"C": {"A": 0.5, "B": 0.5}, "A": {"C": 0.99, "B": 0.01}}
new_chain.set_branch_ratios(new_br)
assert new_chain.get_branch_ratios() == new_br
# write, re-read
new_chain.export_to_xml("chain_mod.xml")
assert Chain.from_xml("chain_mod.xml").get_branch_ratios() == new_br
# Test non-strict [warn, not error] setting
bad_br = {"B": {"X": 0.6, "A": 0.4}, "X": {"A": 0.5, "C": 0.5}}
bad_br.update(new_br)
new_chain.set_branch_ratios(bad_br, strict=False)
assert new_chain.get_branch_ratios() == new_br
# Ensure capture reactions are removed
rem_br = {"A": {"C": 1.0}}
new_chain.set_branch_ratios(rem_br)
# A is not in returned dict because there is no branch
assert "A" not in new_chain.get_branch_ratios()
def test_getitem():
"""Test nuc_by_ind converter function."""
chain = Chain()
chain.nuclides = ["NucA", "NucB", "NucC"]
chain.nuclide_dict = {nuc: chain.nuclides.index(nuc)
for nuc in chain.nuclides}
assert "NucA" == chain["NucA"]
assert "NucB" == chain["NucB"]
assert "NucC" == chain["NucC"]
def test_export_to_xml(run_in_tmpdir):
"""Test writing a depletion chain to XML."""
# Prevent different MPI ranks from conflicting
filename = 'test{}.xml'.format(comm.rank)
H1 = nuclide.Nuclide("H1")
A = nuclide.Nuclide("A")
A.half_life = 2.36520e4
A.decay_modes = [
nuclide.DecayTuple("beta1", "B", 0.6),
nuclide.DecayTuple("beta2", "C", 0.4)
]
A.reactions = [
nuclide.ReactionTuple("(n,gamma)", "C", 0.0, 1.0),
nuclide.ReactionTuple("(n,p)", "B", 0.0, 1.0)
]
B = nuclide.Nuclide("B")
B.half_life = 3.29040e4
B.decay_modes = [nuclide.DecayTuple("beta", "A", 1.0)]
B.reactions = [
nuclide.ReactionTuple("(n,gamma)", "C", 0.0, 1.0),
nuclide.ReactionTuple("(n,d)", "A", 0.0, 1.0)
]
C = nuclide.Nuclide("C")
C.reactions = [
nuclide.ReactionTuple("fission", None, 2.0e8, 1.0),
nuclide.ReactionTuple("(n,gamma)", "A", 0.0, 0.7),
nuclide.ReactionTuple("(n,gamma)", "B", 0.0, 0.3)
]
C.yield_data = nuclide.FissionYieldDistribution(
{0.0253: {
"A": 0.0292737,
"B": 0.002566345
}})
chain = Chain()
chain.nuclides = [H1, A, B, C]
chain.export_to_xml(filename)
chain_xml = open(filename, 'r').read()
assert _TEST_CHAIN == chain_xml
def test_fission_yield_attribute(simple_chain):
"""Test the fission_yields property"""
thermal_yields = simple_chain.get_default_fission_yields()
# generate default with property
assert simple_chain.fission_yields[0] == thermal_yields
empty_chain = Chain()
empty_chain.fission_yields = thermal_yields
assert empty_chain.fission_yields[0] == thermal_yields
empty_chain.fission_yields = [thermal_yields] * 2
assert empty_chain.fission_yields[0] == thermal_yields
assert empty_chain.fission_yields[1] == thermal_yields
# test failure with deplete function
# number fission yields != number of materials
dummy_conc = [[1, 2]] * (len(empty_chain.fission_yields) + 1)
with pytest.raises(ValueError,
match="fission yield.*not equal.*compositions"):
pool.deplete(cram.CRAM48, empty_chain, dummy_conc, None, 0.5)
def test_set_fiss_q():
"""Make sure new fission q values can be set on the chain"""
new_q = {"U235": 2.0E8, "U238": 2.0E8, "U234": 5.0E7}
chain_file = Path(__file__).parents[1] / "chain_simple.xml"
mod_chain = Chain.from_xml(chain_file, new_q)
for name, q in new_q.items():
chain_nuc = mod_chain[name]
for rx in chain_nuc.reactions:
if rx.type == 'fission':
assert rx.Q == q
def test_from_endf():
"""Test depletion chain building from ENDF files"""
endf_data = Path(os.environ['OPENMC_ENDF_DATA'])
decay_data = (endf_data / 'decay').glob('*.endf')
fpy_data = (endf_data / 'nfy').glob('*.endf')
neutron_data = (endf_data / 'neutrons').glob('*.endf')
chain = Chain.from_endf(decay_data, fpy_data, neutron_data)
assert len(chain) == len(chain.nuclides) == len(chain.nuclide_dict) == 3820
for nuc in chain.nuclides:
assert nuc == chain[nuc.name]
def test_validate_inputs():
c = Chain()
with pytest.raises(TypeError, match="tolerance"):
c.validate(tolerance=None)
with pytest.raises(ValueError, match="tolerance"):
c.validate(tolerance=-1)
def test_capture_branch_no_rxn():
"""Ensure capture reactions that don't exist aren't created"""
u4br = {"U234": {"U235": 0.5, "U235_m1": 0.5}}
chain_file = Path(__file__).parents[1] / "chain_simple.xml"
chain = Chain.from_xml(chain_file)
u5m = nuclide.Nuclide("U235_m1")
chain.nuclides.append(u5m)
chain.nuclide_dict[u5m.name] = len(chain.nuclides) - 1
with pytest.raises(AttributeError, match="U234"):
chain.set_branch_ratios(u4br)
def test_capture_branch_infer_ground():
"""Ensure the ground state is infered if not given"""
# Make up a metastable capture transition:
infer_br = {"Xe135": {"Xe136_m1": 0.5}}
set_br = {"Xe135": {"Xe136": 0.5, "Xe136_m1": 0.5}}
chain_file = Path(__file__).parents[1] / "chain_simple.xml"
chain = Chain.from_xml(chain_file)
# Create nuclide to be added into the chain
xe136m = nuclide.Nuclide("Xe136_m1")
chain.nuclides.append(xe136m)
chain.nuclide_dict[xe136m.name] = len(chain.nuclides) - 1
chain.set_branch_ratios(infer_br, "(n,gamma)")
assert chain.get_branch_ratios("(n,gamma)") == set_br
def test_set_alpha_branches():
"""Test setting of alpha reaction branching ratios"""
# Build a mock chain
chain = Chain()
parent = nuclide.Nuclide()
parent.name = "A"
he4 = nuclide.Nuclide()
he4.name = "He4"
ground_tgt = nuclide.Nuclide()
ground_tgt.name = "B"
meta_tgt = nuclide.Nuclide()
meta_tgt.name = "B_m1"
for ix, nuc in enumerate((parent, ground_tgt, meta_tgt, he4)):
chain.nuclides.append(nuc)
chain.nuclide_dict[nuc.name] = ix
# add reactions to parent
parent.reactions.append(nuclide.ReactionTuple(
"(n,a)", ground_tgt.name, 1.0, 0.6))
parent.reactions.append(nuclide.ReactionTuple(
"(n,a)", meta_tgt.name, 1.0, 0.4))
parent.reactions.append(nuclide.ReactionTuple(
"(n,a)", he4.name, 1.0, 1.0))
expected_ref = {"A": {"B": 0.6, "B_m1": 0.4}}
assert chain.get_branch_ratios("(n,a)") == expected_ref
# alter and check again
altered = {"A": {"B": 0.5, "B_m1": 0.5}}
chain.set_branch_ratios(altered, "(n,a)")
assert chain.get_branch_ratios("(n,a)") == altered
# make sure that alpha particle still produced
for r in parent.reactions:
if r.target == he4.name:
break
else:
raise ValueError("Helium has been removed and should not have been")
def test_len():
"""Test depletion chain length."""
chain = Chain()
chain.nuclides = ["NucA", "NucB", "NucC"]
assert len(chain) == 3
def test_init():
"""Test depletion chain initialization."""
chain = Chain()
assert isinstance(chain.nuclides, list)
assert isinstance(chain.nuclide_dict, Mapping)
def endf_chain():
endf_data = Path(os.environ['OPENMC_ENDF_DATA'])
decay_data = (endf_data / 'decay').glob('*.endf')
fpy_data = (endf_data / 'nfy').glob('*.endf')
neutron_data = (endf_data / 'neutrons').glob('*.endf')
return Chain.from_endf(decay_data, fpy_data, neutron_data)
def gnd_simple_chain():
chainfile = Path(__file__).parents[1] / "chain_simple.xml"
return Chain.from_xml(chainfile)
def simple_chain():
with cdtemp():
with open('chain_test.xml', 'w') as fh:
fh.write(_TEST_CHAIN)
yield Chain.from_xml('chain_test.xml')