534 bug jade cannot handle total heating tallies no particle filter

docs/source/dev/add_benchmark/where_inputs.rst

@@ -74,6 +74,14 @@ OpenMC
   of a same benchmark. If possible, the tallies identifiers should be the same as the ones used in the
   other transport codes.
 
+.. note:: 
+  If the benchmark contains total heating tallies, total heating can be obtained when a heating score is recorded and
+  no ``openmc.ParticleFilter`` is applied to the tally. This is equivalent to the ``+F6`` tally option in MCNP. If the 
+  benchmark contains a photon heating tally, the user should add 3 separate tallies for the same ``openmc.CellFilter``, with 
+  ``openmc.ParticleFilter`` values set to "photon", "positron" and "electron" respectively. JADE will automatically combine 
+  these tallies together, to produce an equivalent response to the MCNP photon tally.
+
+
 Serpent
 -------
 TODO

src/jade/helper/openmc.py

@@ -558,27 +558,38 @@ def _combine_heating_tallies(self, heating_tallies: dict) -> dict:
         photon_tallies = {}
         heating_tallies_df = {}
         for id, tally in heating_tallies.items():
-            particle_filter = tally.find_filter(openmc.ParticleFilter)
-            if "neutron" in particle_filter.bins:
-                heating_tallies_df[id] = self._get_tally_data(tally)
-            if "photon" in particle_filter.bins:
-                photon_tallies[id] = tally
+            try:
+                particle_filter = tally.find_filter(openmc.ParticleFilter)
+            except ValueError:
+                particle_filter = None
+            if particle_filter:
+                if "neutron" in particle_filter.bins:
+                    heating_tallies_df[id] = self._get_tally_data(tally)
+                if "photon" in particle_filter.bins:
+                    photon_tallies[id] = tally
+                    heating_tallies_df[id] = self._get_tally_data(tally)
+            else:
                 heating_tallies_df[id] = self._get_tally_data(tally)
         for id, photon_tally in photon_tallies.items():
             photon_cell_filter = photon_tally.find_filter(openmc.CellFilter)
             for _, tally in heating_tallies.items():
-                particle_filter = tally.find_filter(openmc.ParticleFilter)
+                try:
+                    particle_filter = tally.find_filter(openmc.ParticleFilter)
+                except ValueError:
+                    particle_filter =  None
                 cell_filter = tally.find_filter(openmc.CellFilter)
-                if (
-                    ("electron" in particle_filter.bins)
-                    or ("positron" in particle_filter.bins)
-                ) and (photon_cell_filter == cell_filter):
-                    tally_df = self._get_tally_data(tally)
-                    heating_tallies_df[id]["mean"] += tally_df["mean"]
-                    heating_tallies_df[id]["std. dev."] = (
-                        heating_tallies_df[id]["std. dev."].pow(2)
-                        + tally_df["std. dev."].pow(2)
-                    ).pow(0.5)
+                if particle_filter and cell_filter:
+                    if photon_cell_filter == cell_filter:
+                        if (
+                            "electron" in particle_filter.bins
+                            or "positron" in particle_filter.bins
+                        ):
+                            tally_df = self._get_tally_data(tally)
+                            heating_tallies_df[id]["mean"] += tally_df["mean"]
+                            heating_tallies_df[id]["std. dev."] = (
+                                heating_tallies_df[id]["std. dev."].pow(2)
+                                + tally_df["std. dev."].pow(2)
+                            ).pow(0.5)
         return heating_tallies_df
 
     def tallies_to_dataframes(self) -> dict:

tests/app/test_app.py

@@ -221,9 +221,16 @@ def test_continue_run_sphere(self, tmp_path):
         run_cfg = RunConfig(env_vars, {"Sphere": cfg1})
         app.run_cfg = run_cfg
         command = app.continue_run(testing=True)
-        assert "#!/bin/sh\n\n#SBATCH" in command[0][1]
-        assert "Sphere_dummy1" in command[0][1]
-        assert "Sphere_m101" in command[1][1]
+
+        command_sorted = sorted(command, key=lambda x: x[1])
+
+        assert "#!/bin/sh\n\n#SBATCH" in command_sorted[0][1]
+        assert "Sphere_dummy1" in command_sorted[0][1]
+        assert "Sphere_m101" in command_sorted[1][1]
+
+        #assert "#!/bin/sh\n\n#SBATCH" in command[0][1]
+        #assert "Sphere_dummy1" in command[1][1]
+        #assert "Sphere_m101" in command[0][1]
 
         app.run_cfg.env_vars.run_mode = RunMode.GLOBAL_JOB
         command = app.continue_run(testing=True)

tests/helper/test_openmc.py

@@ -34,11 +34,12 @@ def test_tallies_to_dataframes(self):
         out = omc.OpenMCStatePoint(STATEPOINT, CELL_VOLUMES)
         tallies = out.tallies_to_dataframes()
         assert "photon" == tallies[56]["particle"][5]
+        assert "total" == tallies[86]["nuclide"][0]
         assert 11 == tallies[56]["cell"][2]
-        assert 5.388881950654537e-06 == pytest.approx(
+        assert 5.398984399675055e-06 == pytest.approx(
             tallies[24]["mean"][5] / out.cell_data.cell_volumes[tallies[24]["cell"][5]]
         )
-        assert 4.331494120455328e-08 == pytest.approx(
+        assert 3.70844522806895e-08 == pytest.approx(
             tallies[24]["std. dev."][5]
             / out.cell_data.cell_volumes[tallies[24]["cell"][5]]
         )