Allow normal instantiation of ResultsList (instead of from_hdf5)

docs/source/usersguide/depletion.rst

@@ -53,7 +53,7 @@ The coupled transport-depletion problem is executed, and once it is done a
 easy retrieval of k-effective, nuclide concentrations, and reaction rates over
 time::
 
-    results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+    results = openmc.deplete.ResultsList("depletion_results.h5")
     time, keff = results.get_keff()
 
 Note that the coupling between the transport solver and the transmutation solver

examples/pincell_depletion/restart_depletion.py

@@ -12,7 +12,7 @@ with openmc.StatePoint(statepoint) as sp:
     geometry = sp.summary.geometry
 
 # Load previous depletion results
-previous_results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+previous_results = openmc.deplete.ResultsList("depletion_results.h5")
 
 ###############################################################################
 #                      Transport calculation settings
@@ -56,7 +56,7 @@ integrator.integrate()
 ###############################################################################
 
 # Open results file
-results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+results = openmc.deplete.ResultsList("depletion_results.h5")
 
 # Obtain K_eff as a function of time
 time, keff = results.get_keff(time_units='d')

examples/pincell_depletion/run_depletion.py

@@ -101,7 +101,7 @@ integrator.integrate()
 ###############################################################################
 
 # Open results file
-results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+results = openmc.deplete.ResultsList("depletion_results.h5")
 
 # Obtain K_eff as a function of time
 time, keff = results.get_keff(time_units='d')

openmc/deplete/abc.py

@@ -842,7 +842,7 @@ class Integrator(ABC):
         k = ufloat(res.k[0, 0], res.k[0, 1])
 
         # Scale reaction rates by ratio of source rates
-        rates *= source_rate / res.source_rate[0]
+        rates *= source_rate / res.source_rate
         return bos_conc, OperatorResult(k, rates)
 
     def _get_start_data(self):

openmc/deplete/results.py

@@ -69,6 +69,11 @@ class Results:
 
         self.data = None
 
+    def __repr__(self):
+        t = self.time[0]
+        dt = self.time[1] - self.time[0]
+        return f"<Results: t={t}, dt={dt}, source={self.source_rate}>"
+
     def __getitem__(self, pos):
         """Retrieves an item from results.
 
@@ -406,7 +411,7 @@ class Results:
         results.data = number_dset[step, :, :, :]
         results.k = eigenvalues_dset[step, :]
         results.time = time_dset[step, :]
-        results.source_rate = source_rate_dset[step, :]
+        results.source_rate = source_rate_dset[step, 0]
 
         if "depletion time" in handle:
             proc_time_dset = handle["/depletion time"]

openmc/deplete/results_list.py

@@ -29,9 +29,24 @@ def _get_time_as(seconds, units):
 class ResultsList(list):
     """A list of openmc.deplete.Results objects
 
-    It is recommended to use :meth:`from_hdf5` over
-    direct creation.
+    Parameters
+    ----------
+    filename : str
+        Path to depletion result file
+
     """
+    def __init__(self, filename):
+        with h5py.File(str(filename), "r") as fh:
+            cv.check_filetype_version(fh, 'depletion results', VERSION_RESULTS[0])
+            data = []
+
+            # Get number of results stored
+            n = fh["number"][...].shape[0]
+
+            for i in range(n):
+                data.append(Results.from_hdf5(fh, i))
+        super().__init__(data)
+
 
     @classmethod
     def from_hdf5(cls, filename):
@@ -46,17 +61,14 @@ class ResultsList(list):
         -------
         new : ResultsList
             New instance of depletion results
+
         """
-        with h5py.File(str(filename), "r") as fh:
-            cv.check_filetype_version(fh, 'depletion results', VERSION_RESULTS[0])
-            new = cls()
-
-            # Get number of results stored
-            n = fh["number"][...].shape[0]
-
-            for i in range(n):
-                new.append(Results.from_hdf5(fh, i))
-        return new
+        warn(
+            "The from_hdf5(...) method is no longer necessary and will be removed "
+            "in a future version of OpenMC. Use ResultsList(...) instead.",
+            FutureWarning
+        )
+        return cls(filename)
 
     def get_atoms(self, mat, nuc, nuc_units="atoms", time_units="s"):
         """Get number of nuclides over time from a single material

tests/regression_tests/deplete/test.py

@@ -77,8 +77,8 @@ def test_full(run_in_tmpdir, problem, multiproc):
         return
 
     # Load the reference/test results
-    res_test = openmc.deplete.ResultsList.from_hdf5(path_test)
-    res_ref = openmc.deplete.ResultsList.from_hdf5(path_reference)
+    res_test = openmc.deplete.ResultsList(path_test)
+    res_ref = openmc.deplete.ResultsList(path_reference)
 
     # Assert same mats
     for mat in res_ref[0].mat_to_ind:
@@ -139,7 +139,7 @@ def test_depletion_results_to_material(run_in_tmpdir, problem):
     """Checks openmc.Materials objects can be created from depletion results"""
     # Load the reference/test results
     path_reference = Path(__file__).with_name('test_reference.h5')
-    res_ref = openmc.deplete.ResultsList.from_hdf5(path_reference)
+    res_ref = openmc.deplete.ResultsList(path_reference)
 
     # Firstly need to export materials.xml file for the initial simulation state
     geometry, lower_left, upper_right = problem

tests/unit_tests/test_deplete_activation.py

@@ -107,7 +107,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     integrator.integrate()
 
     # Get resulting number of atoms
-    results = openmc.deplete.ResultsList.from_hdf5('depletion_results.h5')
+    results = openmc.deplete.ResultsList('depletion_results.h5')
     _, atoms = results.get_atoms(w, "W186")
 
     assert atoms[0] == pytest.approx(n0)
@@ -155,7 +155,7 @@ def test_decay(run_in_tmpdir):
     integrator.integrate()
 
     # Get resulting number of atoms
-    results = openmc.deplete.ResultsList.from_hdf5('depletion_results.h5')
+    results = openmc.deplete.ResultsList('depletion_results.h5')
     _, atoms = results.get_atoms(mat, "Sr89")
 
     # Ensure density goes down by a factor of 2 after each half-life

tests/unit_tests/test_deplete_integrator.py

@@ -103,7 +103,7 @@ def test_results_save(run_in_tmpdir):
     Results.save(op, x2, op_result2, t2, 0, 1)
 
     # Load the files
-    res = ResultsList.from_hdf5("depletion_results.h5")
+    res = ResultsList("depletion_results.h5")
 
     for i in range(stages):
         for mat_i, mat in enumerate(burn_list):
@@ -176,8 +176,7 @@ def test_integrator(run_in_tmpdir, scheme):
 
     # get expected results
 
-    res = ResultsList.from_hdf5(
-        operator.output_dir / "depletion_results.h5")
+    res = ResultsList(operator.output_dir / "depletion_results.h5")
 
     t1, y1 = res.get_atoms("1", "1")
     t2, y2 = res.get_atoms("1", "2")

tests/unit_tests/test_deplete_restart.py

@@ -24,8 +24,7 @@ def test_restart_predictor_cecm(run_in_tmpdir):
     openmc.deplete.PredictorIntegrator(op, dt, power).integrate()
 
     # Load the files
-    prev_res = openmc.deplete.ResultsList.from_hdf5(
-        op.output_dir / "depletion_results.h5")
+    prev_res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
     # Re-create depletion operator and load previous results
     op = dummy_operator.DummyOperator(prev_res)
@@ -51,8 +50,7 @@ def test_restart_cecm_predictor(run_in_tmpdir):
     cecm.integrate()
 
     # Load the files
-    prev_res = openmc.deplete.ResultsList.from_hdf5(
-        op.output_dir / "depletion_results.h5")
+    prev_res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
     # Re-create depletion operator and load previous results
     op = dummy_operator.DummyOperator(prev_res)
@@ -75,7 +73,7 @@ def test_restart(run_in_tmpdir, scheme):
     bundle.solver(operator, [0.75], 1.0).integrate()
 
     # restart
-    prev_res = openmc.deplete.ResultsList.from_hdf5(
+    prev_res = openmc.deplete.ResultsList(
         operator.output_dir / "depletion_results.h5")
     operator = dummy_operator.DummyOperator(prev_res)
 
@@ -84,7 +82,7 @@ def test_restart(run_in_tmpdir, scheme):
 
     # compare results
 
-    results = openmc.deplete.ResultsList.from_hdf5(
+    results = openmc.deplete.ResultsList(
         operator.output_dir / "depletion_results.h5")
 
     _t, y1 = results.get_atoms("1", "1")

tests/unit_tests/test_deplete_resultslist.py

@@ -13,7 +13,7 @@ def res():
     """Load the reference results"""
     filename = (Path(__file__).parents[1] / 'regression_tests' / 'deplete'
                 / 'test_reference.h5')
-    return openmc.deplete.ResultsList.from_hdf5(filename)
+    return openmc.deplete.ResultsList(filename)
 
 
 def test_get_atoms(res):

tests/unit_tests/test_transfer_volumes.py

@@ -19,7 +19,7 @@ def test_transfer_volumes(run_in_tmpdir):
     PredictorIntegrator(op, dt, power).integrate()
 
     # Load the files
-    res = openmc.deplete.ResultsList.from_hdf5(op.output_dir / "depletion_results.h5")
+    res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
     # Create a dictionary of volumes to transfer
     res[0].volume['1'] = 1.5