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address more comments by @drewejohnson

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church89 2024-03-15 11:21:48 +01:00
parent 9d6c5be32d
commit a4b44edd3c
5 changed files with 60 additions and 50 deletions
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8
openmc/deplete/batchwise.py
View file

@ -125,7 +125,7 @@ class Batchwise(ABC):
def bracketed_method(self, value):
check_value("bracketed_method", value, _SCALAR_BRACKETED_METHODS)
if value != "brentq":
warn("WARNING: brentq bracketed method is recommended")
warn("brentq bracketed method is recommended")
self._bracketed_method = value
@property
@ -212,7 +212,7 @@ class Batchwise(ABC):
targeted value
"""
# make sure we don't modify original bracket
bracket = deepcopy(self.brack½et)
bracket = deepcopy(self.bracket)
# Run until a search_for_keff root is found or out of limits
root = None
@ -240,7 +240,7 @@ class Batchwise(ABC):
# Set res with the closest limit and continue
arg_min = abs(np.array(self.bracket_limit) - res).argmin()
warn(
"WARNING: Search_for_keff returned root out of "
"Search_for_keff returned root out of "
"bracket limit. Set root to {:.2f} and continue.".format(
self.bracket_limit[arg_min]
)
@ -310,7 +310,7 @@ class Batchwise(ABC):
# Set res with closest limit and continue
arg_min = abs(np.array(self.bracket_limit) - guesses).argmin()
warn(
"WARNING: Adaptive iterative bracket went off "
"Adaptive iterative bracket went off "
"bracket limits. Set root to {:.2f} and continue.".format(
self.bracket_limit[arg_min]
)

6
openmc/deplete/stepresult.py
View file

@ -56,6 +56,8 @@ class StepResult:
Number of stages in simulation.
data : numpy.ndarray
Atom quantity, stored by stage, mat, then by nuclide.
batchwise : float
The root returned by the reactivity controller.
proc_time : int
Average time spent depleting a material across all
materials and processes
@ -75,6 +77,7 @@ class StepResult:
self.data = None
self.batchwise = None
def __repr__(self):
t = self.time[0]
dt = self.time[1] - self.time[0]
@ -544,7 +547,8 @@ class StepResult:
Total process time spent depleting materials. This may
be process-dependent and will be reduced across MPI
processes.
root : float
The root returned by the reactivity controller.
path : PathLike
Path to file to write. Defaults to 'depletion_results.h5'.

11
openmc/search.py
View file

@ -1,5 +1,6 @@
from collections.abc import Callable
from numbers import Real
from warnings import warn
import scipy.optimize as sopt
@ -39,7 +40,8 @@ def _search_keff(guess, target, model_builder, model_args, print_iterations,
results : Iterable of Real
Running list of results thus far, to be updated during the execution of
this function.
run_in_memory : bool
Whether or not to run the openmc model in memory.
Returns
-------
float
@ -109,6 +111,9 @@ def search_for_keff(model_builder, initial_guess=None, target=1.0,
run_args : dict, optional
Keyword arguments to pass to :meth:`openmc.Model.run`. Defaults to no
arguments.
run_in_memory : bool
Whether or not to run the openmc model in memory.
Defaults to False.
.. versionadded:: 0.13.1
**kwargs
@ -214,9 +219,9 @@ def search_for_keff(model_builder, initial_guess=None, target=1.0,
return zero_value, guesses, results
else:
print(f'WARNING: {root_res.flag}')
warn(f'{root_res.flag}')
return guesses, results
# In case the root finder is not successful
except Exception as e:
print(f'WARNING: {e}')
warn(f'{e})
return guesses, results

1
tests/regression_tests/deplete_with_batchwise/test.py
View file

@ -78,7 +78,6 @@ def model():
return openmc.Model(geometry, materials, settings)
@pytest.mark.skipif(sys.version_info < (3, 9), reason="Requires Python 3.9+")
@pytest.mark.parametrize("obj, attribute, bracket_limit, axis, vec, ref_result", [
('trans_cell', 'translation', [-40,40], 2, None, 'depletion_with_translation'),
('rot_cell', 'rotation', [-90,90], 2, None, 'depletion_with_rotation'),

84
tests/unit_tests/test_deplete_batchwise.py
View file

@ -62,6 +62,15 @@ def model():
return openmc.Model(geometry, materials, settings)
@pytest.fixture
def operator(model):
return CoupledOperator(model, CHAIN_PATH)
@pytest.fixture
def integrator(operator):
return openmc.deplete.PredictorIntegrator(
operator, [1,1], 0.0, timestep_units = 'd')
@pytest.mark.parametrize("case_name, obj, attribute, bracket, limit, axis, vec", [
('cell translation','universe_cell', 'translation', [-1,1], [-10,10], 2, None),
('cell rotation', 'universe_cell', 'rotation', [-1,1], [-10,10], 2, None),
@ -72,14 +81,11 @@ def model():
('invalid_2', 'fuel', 'temperature', [-1,1], [-10,10], 2, None ),
('invalid_3', 'fuel', 'translation', [-1,1], [-10,10], 2, None),
])
def test_attributes(case_name, model, obj, attribute, bracket, limit, axis, vec):
def test_attributes(case_name, model, operator, integrator, obj, attribute,
bracket, limit, axis, vec):
"""
Test classes attributes are set correctly
"""
op = CoupledOperator(model, CHAIN_PATH)
int = openmc.deplete.PredictorIntegrator(
op, [1,1], 0.0, timestep_units = 'd')
kwargs = {'bracket': bracket, 'bracket_limit':limit, 'tol': 0.1,}
@ -91,59 +97,57 @@ def test_attributes(case_name, model, obj, attribute, bracket, limit, axis, vec)
if case_name == "invalid_1":
with pytest.raises(ValueError) as e:
int.add_batchwise(obj, attribute, **kwargs)
integrator.add_batchwise(obj, attribute, **kwargs)
assert str(e.value) == 'Unable to set "Material name" to "universe_cell" '\
'since it is not in "[\'fuel\', \'water\']"'
elif case_name == "invalid_2":
with pytest.raises(ValueError) as e:
int.add_batchwise(obj, attribute, **kwargs)
integrator.add_batchwise(obj, attribute, **kwargs)
assert str(e.value) == 'Unable to set "Cell name exists" to "fuel" since '\
'it is not in "[\'fuel_cell\', \'universe_cell\', \'\', \'\']"'
elif case_name == "invalid_3":
with pytest.raises(ValueError) as e:
int.add_batchwise(obj, attribute, **kwargs)
integrator.add_batchwise(obj, attribute, **kwargs)
assert str(e.value) == 'Unable to set "Cell name exists" to "fuel" since '\
'it is not in "[\'fuel_cell\', \'universe_cell\', \'\', \'\']"'
else:
int.add_batchwise(obj, attribute, **kwargs)
integrator.add_batchwise(obj, attribute, **kwargs)
if attribute in ('translation','rotation'):
assert int.get_batchwise.cell_materials == [cell.fill for cell in \
assert integrator.batchwise.universe_cells == [cell for cell in \
model.geometry.get_cells_by_name(obj)[0].fill.cells.values() \
if cell.fill.depletable]
assert int.get_batchwise.axis == axis
assert integrator.batchwise.axis == axis
elif attribute == 'refuel':
assert int.get_batchwise.mat_vector == vec
assert integrator.batchwise.mat_vector == vec
assert int.get_batchwise.attrib_name == attribute
assert int.get_batchwise.bracket == bracket
assert int.get_batchwise.bracket_limit == limit
assert int.get_batchwise.burn_mats == op.burnable_mats
assert int.get_batchwise.local_mats == op.local_mats
assert integrator.batchwise.attrib_name == attribute
assert integrator.batchwise.bracket == bracket
assert integrator.batchwise.bracket_limit == limit
assert integrator.batchwise.burn_mats == operator.burnable_mats
assert integrator.batchwise.local_mats == operator.local_mats
@pytest.mark.parametrize("obj, attribute, value_to_set", [
('universe_cell', 'translation', 0),
('universe_cell', 'rotation', 0)
])
def test_cell_methods(run_in_tmpdir, model, obj, attribute, value_to_set):
def test_cell_methods(run_in_tmpdir, model, operator, integrator, obj, attribute,
value_to_set):
"""
Test cell base class internal method
"""
kwargs = {'bracket':[-1,1], 'bracket_limit':[-10,10], 'axis':2, 'tol':0.1}
op = CoupledOperator(model, CHAIN_PATH)
integrator = openmc.deplete.PredictorIntegrator(
op, [1,1], 0.0, timestep_units = 'd')
integrator.add_batchwise(obj, attribute, **kwargs)
model.export_to_xml()
openmc.lib.init()
integrator.get_batchwise._set_cell_attrib(value_to_set)
assert integrator.get_batchwise._get_cell_attrib() == value_to_set
integrator.batchwise._set_cell_attrib(value_to_set)
assert integrator.batchwise._get_cell_attrib() == value_to_set
vol = integrator.get_batchwise._calculate_volumes()
for cell in integrator.get_batchwise.cell_materials:
vol = integrator.batchwise._calculate_volumes()
for cell in integrator.batchwise.universe_cells:
assert vol[str(cell.id)] == pytest.approx([
mat.volume for mat in model.materials \
if mat.id == cell.id][0], rel=tolerance)
@ -154,7 +158,8 @@ def test_cell_methods(run_in_tmpdir, model, obj, attribute, value_to_set):
('U238', 1.0e22),
('Xe135', 1.0e21)
])
def test_internal_methods(run_in_tmpdir, model, nuclide, atoms_to_add):
def test_internal_methods(run_in_tmpdir, model, operator, integrator, nuclide,
atoms_to_add):
"""
Method to update volume in AtomNumber after depletion step.
Method inheritated by all derived classes so one check is enough.
@ -162,9 +167,6 @@ def test_internal_methods(run_in_tmpdir, model, nuclide, atoms_to_add):
kwargs = {'bracket':[-1,1], 'bracket_limit':[-10,10], 'mat_vector':{}}
op = CoupledOperator(model, CHAIN_PATH)
integrator = openmc.deplete.PredictorIntegrator(op, [1,1], 0.0,
timestep_units = 'd')
integrator.add_batchwise('fuel', 'refuel', **kwargs)
model.export_to_xml()
@ -173,32 +175,32 @@ def test_internal_methods(run_in_tmpdir, model, nuclide, atoms_to_add):
#Increase number of atoms of U238 in fuel by fix amount and check the
# volume increase at constant-density
#extract fuel material from model materials
mat = integrator.get_batchwise.material
mat_index = op.number.index_mat[str(mat.id)]
nuc_index = op.number.index_nuc[nuclide]
vol = op.number.get_mat_volume(str(mat.id))
op.number.number[mat_index][nuc_index] += atoms_to_add
integrator.get_batchwise._update_volumes()
mat = integrator.batchwise.material
mat_index = operator.number.index_mat[str(mat.id)]
nuc_index = operator.number.index_nuc[nuclide]
vol = operator.number.get_mat_volume(str(mat.id))
operator.number.number[mat_index][nuc_index] += atoms_to_add
integrator.batchwise._update_volumes()
vol_to_compare = vol + (atoms_to_add * openmc.data.atomic_mass(nuclide) /\
openmc.data.AVOGADRO / mat.density)
assert op.number.get_mat_volume(str(mat.id)) == pytest.approx(vol_to_compare)
assert operator.number.get_mat_volume(str(mat.id)) == pytest.approx(vol_to_compare)
x = [i[:op.number.n_nuc_burn] for i in op.number.number]
integrator.get_batchwise._update_materials(x)
x = [i[:operator.number.n_nuc_burn] for i in operator.number.number]
integrator.batchwise._update_materials(x)
nuc_index_lib = openmc.lib.materials[mat.id].nuclides.index(nuclide)
dens_to_compare = 1.0e-24 * op.number.get_atom_density(str(mat.id), nuclide)
dens_to_compare = 1.0e-24 * operator.number.get_atom_density(str(mat.id), nuclide)
assert openmc.lib.materials[mat.id].densities[nuc_index_lib] == pytest.approx(dens_to_compare)
volumes = {str(mat.id): vol + 1}
new_x = integrator.get_batchwise._update_x_and_set_volumes(x, volumes)
new_x = integrator.batchwise._update_x_and_set_volumes(x, volumes)
dens_to_compare = 1.0e24 * volumes[str(mat.id)] *\
openmc.lib.materials[mat.id].densities[nuc_index_lib]
assert new_x[mat_index][nuc_index] == pytest.approx(dens_to_compare)
# assert volume in AtomNumber is set correctly
assert op.number.get_mat_volume(str(mat.id)) == volumes[str(mat.id)]
assert operator.number.get_mat_volume(str(mat.id)) == volumes[str(mat.id)]
openmc.lib.finalize()