Updating depletion test files. Further adjustments to how materials are identified for some utility functions.

openmc/deplete/operator.py

@@ -202,13 +202,15 @@ class Operator(TransportOperator):
                 fission_q = None
         super().__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
+        self.model = model
         self.settings = model.settings
         self.geometry = model.geometry
 
         # determine set of materials in the model
         if not model.materials:
-            model.materials = openmc.Materials(model.geometry.
-                                               get_all_materials().values())
+            model.materials = openmc.Materials(
+                model.geometry.get_all_materials().values()
+            )
         self.materials = model.materials
 
         self.diff_burnable_mats = diff_burnable_mats
@@ -239,7 +241,7 @@ class Operator(TransportOperator):
 
         if self.prev_res is not None:
             # Reload volumes into geometry
-            prev_results[-1].transfer_volumes(geometry)
+            prev_results[-1].transfer_volumes(self.model)
 
             # Store previous results in operator
             # Distribute reaction rates according to those tracked
@@ -380,7 +382,7 @@ class Operator(TransportOperator):
 
         # Extract all burnable materials which have multiple instances
         distribmats = set(
-            [mat for mat in self.geometry.get_all_materials().values()
+            [mat for mat in self.materials
              if mat.depletable and mat.num_instances > 1])
 
         for mat in distribmats:
@@ -476,7 +478,7 @@ class Operator(TransportOperator):
 
         # Else from previous depletion results
         else:
-            for mat in self.materials.values():
+            for mat in self.materials:
                 if str(mat.id) in local_mats:
                     self._set_number_from_results(mat, prev_res)
 
@@ -620,7 +622,7 @@ class Operator(TransportOperator):
 
         # Sort nuclides according to order in AtomNumber object
         nuclides = list(self.number.nuclides)
-        for mat in materials:
+        for mat in self.materials:
             mat._nuclides.sort(key=lambda x: nuclides.index(x[0]))
 
         # Grab the cross sections tag from the existing file

openmc/deplete/results.py

@@ -9,6 +9,7 @@ import copy
 import h5py
 import numpy as np
 
+import openmc
 from openmc.mpi import comm, MPI
 from .reaction_rates import ReactionRates
 
@@ -496,16 +497,23 @@ class Results:
 
         results.export_to_hdf5("depletion_results.h5", step_ind)
 
-    def transfer_volumes(self, geometry):
+    def transfer_volumes(self, model):
         """Transfers volumes from depletion results to geometry
 
         Parameters
         ----------
-        geometry : OpenMC geometry to be used in a depletion restart
+        model : OpenMC model to be used in a depletion restart
             calculation
 
         """
-        for cell in geometry.get_all_material_cells().values():
-            for material in cell.get_all_materials().values():
-                if material.depletable:
-                    material.volume = self.volume[str(material.id)]
+
+        if not model.materials:
+            materials = openmc.Materials(
+                model.geometry.get_all_materials().values()
+            )
+        else:
+            materials = model.materials
+
+        for material in materials:
+            if material.depletable:
+                material.volume = self.volume[str(material.id)]

tests/regression_tests/deplete/test.py

@@ -49,9 +49,11 @@ def test_full(run_in_tmpdir, problem, multiproc):
     settings.seed = 1
     settings.verbosity = 1
 
+    model = openmc.Model(geometry=geometry, settings=settings)
+
     # Create operator
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
-    op = openmc.deplete.Operator(geometry, settings, chain_file)
+    op = openmc.deplete.Operator(model, chain_file)
     op.round_number = True
 
     # Power and timesteps
@@ -170,7 +172,7 @@ def test_depletion_results_to_material(run_in_tmpdir, problem):
     diff_vs_expected = unified_diff(reference_lines, result_file_lines)
 
     # Check all lines match, printing errors along the way
-    success = True 
+    success = True
     for line in diff_vs_expected:
         success = False
         print(line.rstrip())

tests/unit_tests/test_deplete_activation.py

@@ -65,7 +65,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
 
     # Create transport operator
     op = openmc.deplete.Operator(
-        model.geometry, model.settings, 'test_chain.xml',
+        model, 'test_chain.xml',
         normalization_mode="source-rate",
         reaction_rate_mode=reaction_rate_mode,
         reaction_rate_opts=reaction_rate_opts,
@@ -142,9 +142,10 @@ def test_decay(run_in_tmpdir):
     chain.add_nuclide(sr89)
     chain.export_to_xml('test_chain.xml')
 
+    model = openmc.Model(geometry=geometry, settings=settings)
     # Create transport operator
     op = openmc.deplete.Operator(
-        geometry, settings, 'test_chain.xml', normalization_mode="source-rate"
+        model, 'test_chain.xml', normalization_mode="source-rate"
     )
 
     # Deplete with two decay steps

tests/unit_tests/test_transfer_volumes.py

@@ -40,7 +40,7 @@ def test_transfer_volumes(run_in_tmpdir):
     geometry = openmc.Geometry(root)
 
     # Transfer volumes
-    res[0].transfer_volumes(geometry)
+    res[0].transfer_volumes(openmc.Model(geometry))
 
     assert mat1.volume == 1.5
     assert mat2.volume is None