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finding number of atoms #41

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May 3, 2023
Merged

finding number of atoms #41

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2 changes: 1 addition & 1 deletion src/openmc_depletion_plotter/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -21,7 +21,7 @@
from .utils import get_atoms_activity_from_material
from .utils import find_most_abundant_nuclides_in_material
from .utils import find_most_abundant_nuclides_in_materials
from .utils import get_nuclide_atom_densities_from_materials
from .utils import get_nuclide_atoms_from_materials
from .utils import find_most_active_nuclides_in_material
from .utils import find_most_active_nuclides_in_materials
from .utils import get_nuclide_activities_from_materials
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4 changes: 2 additions & 2 deletions src/openmc_depletion_plotter/results.py
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Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@
from .utils import find_total_activity_in_materials
from .utils import stable_nuclides
from .utils import create_base_plot
from .utils import get_nuclide_atom_densities_from_materials
from .utils import get_nuclide_atoms_from_materials
from .utils import find_most_abundant_nuclides_in_materials
from .utils import find_total_nuclides_in_materials
import plotly.graph_objects as go
Expand Down Expand Up @@ -184,7 +184,7 @@ def plot_atoms_vs_time(
else:
nuclides = most_abundant

all_nuclides_with_atoms = get_nuclide_atom_densities_from_materials(
all_nuclides_with_atoms = get_nuclide_atoms_from_materials(
nuclides=nuclides, materials=all_materials
)

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10 changes: 6 additions & 4 deletions src/openmc_depletion_plotter/utils.py
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Expand Up @@ -238,6 +238,8 @@ def find_most_abundant_nuclides_in_material(
excluded_isotopes = exclude.get_nuclides()

non_excluded_nucs = {}
# get_nuclide_atom_densities does not need volume and can be used instead
# of get_nuclide_atoms here as have a single material
for key, value in material.get_nuclide_atom_densities().items():
if key not in excluded_isotopes:
if key not in non_excluded_nucs.keys():
Expand Down Expand Up @@ -271,7 +273,7 @@ def find_total_nuclides_in_materials(

for material in materials:
material_atom_densities = 0
for key, value in material.get_nuclide_atom_densities().items():
for key, value in material.get_nuclide_atoms().items():
if key not in excluded_isotopes:
material_atom_densities += value
materials_atom_densities.append(material_atom_densities)
Expand All @@ -293,7 +295,7 @@ def find_most_abundant_nuclides_in_materials(
excluded_isotopes = exclude.get_nuclides()

for material in materials:
for key, value in material.get_nuclide_atom_densities().items():
for key, value in material.get_nuclide_atoms().items():
if key not in excluded_isotopes:
if key not in non_excluded_nucs.keys():
non_excluded_nucs[key] = value
Expand All @@ -310,12 +312,12 @@ def find_most_abundant_nuclides_in_materials(
return list(sorted_dict.keys())


def get_nuclide_atom_densities_from_materials(nuclides, materials):
def get_nuclide_atoms_from_materials(nuclides, materials):
all_nuclides_with_atoms = {}
for isotope in nuclides:
all_quants = []
for material in materials:
quants = material.get_nuclide_atom_densities() # units are atom/b-cm
quants = material.get_nuclide_atoms()
if isotope in quants.keys():
quant = quants[isotope]
else:
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16 changes: 13 additions & 3 deletions tests/test_python_api.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
from openmc_depletion_plotter import find_most_abundant_nuclides_in_materials
from openmc_depletion_plotter import find_most_active_nuclides_in_material
from openmc_depletion_plotter import find_most_active_nuclides_in_materials
from openmc_depletion_plotter import get_nuclide_atom_densities_from_materials
from openmc_depletion_plotter import get_nuclide_atoms_from_materials
import openmc


Expand Down Expand Up @@ -64,10 +64,12 @@ def test_two_identical_materials():
my_mat = openmc.Material()
my_mat.add_nuclide("Li6", 1)
my_mat.add_nuclide("Li7", 0.5)
my_mat.volume = 1

my_mat_2 = openmc.Material()
my_mat_2.add_nuclide("Li6", 1)
my_mat_2.add_nuclide("Li7", 0.5)
my_mat_2.volume = 1

nucs = find_most_abundant_nuclides_in_materials(
materials=[my_mat, my_mat_2],
Expand All @@ -81,10 +83,12 @@ def test_two_similar_materials():
my_mat = openmc.Material()
my_mat.add_nuclide("Li6", 0.5)
my_mat.add_nuclide("Li7", 0.5)
my_mat.volume = 1

my_mat_2 = openmc.Material()
my_mat_2.add_nuclide("Li6", 0.6)
my_mat_2.add_nuclide("Li7", 0.7)
my_mat_2.volume = 1

nucs = find_most_abundant_nuclides_in_materials(
materials=[my_mat, my_mat_2],
Expand All @@ -98,10 +102,12 @@ def test_openmc_material():
my_mat = openmc.Material()
my_mat.add_nuclide("Li6", 0.5)
my_mat.add_nuclide("Li7", 0.5)
my_mat.volume = 1

my_mat_2 = openmc.Material()
my_mat_2.add_nuclide("Fe56", 0.6)
my_mat_2.add_nuclide("Be9", 0.6)
my_mat_2.volume = 1

nucs = find_most_abundant_nuclides_in_materials(
materials=[my_mat, my_mat_2], exclude=my_mat
Expand All @@ -115,10 +121,12 @@ def test_openmc_material_shared_isotope():
my_mat = openmc.Material()
my_mat.add_nuclide("Li6", 0.5)
my_mat.add_nuclide("Li7", 0.5)
my_mat.volume = 1

my_mat_2 = openmc.Material()
my_mat_2.add_nuclide("Fe56", 0.6)
my_mat_2.add_nuclide("Li7", 0.6)
my_mat_2.volume = 1

nucs = find_most_abundant_nuclides_in_materials(
materials=[my_mat, my_mat_2], exclude=my_mat
Expand All @@ -127,17 +135,19 @@ def test_openmc_material_shared_isotope():
assert nucs == ["Fe56"]


def test_get_nuclide_atom_densities_from_materials():
def test_get_nuclide_atoms_from_materials():

my_mat = openmc.Material()
my_mat.add_nuclide("Li6", 0.5)
my_mat.add_nuclide("Li7", 0.5)
my_mat.volume = 1

my_mat_2 = openmc.Material()
my_mat_2.add_nuclide("Fe56", 0.6)
my_mat_2.add_nuclide("Li7", 0.6)
my_mat_2.volume = 1

nucs = get_nuclide_atom_densities_from_materials(
nucs = get_nuclide_atoms_from_materials(
nuclides=["Li6", "Fe56"], materials=[my_mat, my_mat_2]
)

Expand Down