Adding per kg as unit option on material functions (#3329)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
openmc-dev · Feb 28, 2025 · c26fde6 · c26fde6
1 parent e060534
commit c26fde6
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Showing 2 changed files with 22 additions and 11 deletions.
diff --git a/openmc/material.py b/openmc/material.py
@@ -300,7 +300,7 @@ def get_decay_photon_energy(
         clip_tolerance : float
             Maximum fraction of :math:`\sum_i x_i p_i` for discrete
             distributions that will be discarded.
-        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
             Specifies the units on the integral of the distribution.
         volume : float, optional
             Volume of the material. If not passed, defaults to using the
@@ -313,7 +313,7 @@ def get_decay_photon_energy(
             is the total intensity of the photon source in the requested units.
 
         """
-        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/cm3'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
         if units == 'Bq':
             multiplier = volume if volume is not None else self.volume
             if multiplier is None:
@@ -322,6 +322,8 @@ def get_decay_photon_energy(
             multiplier = 1
         elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
+        elif units == 'Bq/kg':
+            multiplier = 1000.0 / self.get_mass_density()
 
         dists = []
         probs = []
@@ -1132,16 +1134,16 @@ def get_element_atom_densities(self, element: str | None = None) -> dict[str, fl
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
                      volume: float | None = None) -> dict[str, float] | float:
         """Returns the activity of the material or for each nuclide in the
-        material in units of [Bq], [Bq/g] or [Bq/cm3].
+        material in units of [Bq], [Bq/g], [Bq/kg] or [Bq/cm3].
 
         .. versionadded:: 0.13.1
 
         Parameters
         ----------
-        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
             Specifies the type of activity to return, options include total
-            activity [Bq], specific [Bq/g] or volumetric activity [Bq/cm3].
-            Default is volumetric activity [Bq/cm3].
+            activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity
+            [Bq/cm3]. Default is volumetric activity [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
@@ -1159,7 +1161,7 @@ def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
             of the material is returned as a float.
         """
 
-        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/cm3'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if units == 'Bq':
@@ -1168,6 +1170,8 @@ def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
             multiplier = 1
         elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
+        elif units == 'Bq/kg':
+            multiplier = 1000.0 / self.get_mass_density()
 
         activity = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
@@ -1179,15 +1183,15 @@ def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
     def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
                        volume: float | None = None) -> dict[str, float] | float:
         """Returns the decay heat of the material or for each nuclide in the
-        material in units of [W], [W/g] or [W/cm3].
+        material in units of [W], [W/g], [W/kg] or [W/cm3].
 
         .. versionadded:: 0.13.3
 
         Parameters
         ----------
-        units : {'W', 'W/g', 'W/cm3'}
+        units : {'W', 'W/g', 'W/kg', 'W/cm3'}
             Specifies the units of decay heat to return. Options include total
-            heat [W], specific [W/g] or volumetric heat [W/cm3].
+            heat [W], specific [W/g, W/kg] or volumetric heat [W/cm3].
             Default is total heat [W].
         by_nuclide : bool
             Specifies if the decay heat should be returned for the material as a
@@ -1206,7 +1210,7 @@ def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
             of the material is returned as a float.
         """
 
-        cv.check_value('units', units, {'W', 'W/g', 'W/cm3'})
+        cv.check_value('units', units, {'W', 'W/g', 'W/kg', 'W/cm3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if units == 'W':
@@ -1215,6 +1219,8 @@ def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
             multiplier = 1
         elif units == 'W/g':
             multiplier = 1.0 / self.get_mass_density()
+        elif units == 'W/kg':
+            multiplier = 1000.0 / self.get_mass_density()
 
         decayheat = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
@@ -577,6 +577,7 @@ def test_get_activity():
     m4.add_nuclide("H3", 1)
     m4.set_density('g/cm3', 1.5)
     assert pytest.approx(m4.get_activity(units='Bq/g')) == 355978108155965.94  # [Bq/g]
+    assert pytest.approx(m4.get_activity(units='Bq/kg')) == 355978108155965940  # [Bq/kg]
     assert pytest.approx(m4.get_activity(units='Bq/g', by_nuclide=True)["H3"]) == 355978108155965.94  # [Bq/g]
     assert pytest.approx(m4.get_activity(units='Bq/cm3')) == 355978108155965.94*3/2 # [Bq/cc]
     assert pytest.approx(m4.get_activity(units='Bq/cm3', by_nuclide=True)["H3"]) == 355978108155965.94*3/2 # [Bq/cc]
@@ -626,6 +627,7 @@ def test_get_decay_heat():
     m4.add_nuclide("I135", 1)
     m4.set_density('g/cm3', 1.5)
     assert pytest.approx(m4.get_decay_heat(units='W/g')) == 40175.15720273193 # [W/g]
+    assert pytest.approx(m4.get_decay_heat(units='W/kg')) == 40175157.20273193 # [W/kg]
     assert pytest.approx(m4.get_decay_heat(units='W/g', by_nuclide=True)["I135"]) == 40175.15720273193 # [W/g]
     assert pytest.approx(m4.get_decay_heat(units='W/cm3')) == 40175.15720273193*3/2 # [W/cc]
     assert pytest.approx(m4.get_decay_heat(units='W/cm3', by_nuclide=True)["I135"]) == 40175.15720273193*3/2 #[W/cc]
@@ -656,6 +658,9 @@ def test_decay_photon_energy():
     assert src.p * 2.0 == pytest.approx(src_v2.p)
     src_per_cm3 = m.get_decay_photon_energy(units='Bq/cm3', volume=100.0)
     assert (src.p == src_per_cm3.p).all()
+    src_per_bqg = m.get_decay_photon_energy(units='Bq/g')
+    src_per_bqkg = m.get_decay_photon_energy(units='Bq/kg')
+    assert pytest.approx(src_per_bqg.integral()) == src_per_bqkg.integral() / 1000.
 
     # If we add Xe135 (which has a tabular distribution), the photon source
     # should be a mixture distribution