write_mat_file() -> update_depleted_materials()

- docstring changes
- associated testfile changes

doc/releasenotes/v0.5.0.rst

@@ -134,7 +134,7 @@ Python API Changes
     - ``run_depcode()`` → ``run_depletion_step()``
 
   - ``OpenMCDepcode`` is a ``Depcode`` subclass that interfaces with ``openmc``. This class implements the following functions 
-    - ``run_depcode()``
+    - ``run_depletion_step()``
     - ``switch_to_next_geometry()``
     - ``write_depcode_input()``
     - ``write_depletion_settings()``

saltproc/abc.py

@@ -139,7 +139,7 @@ def write_depcode_input(self, reactor, dep_step, restart):
         """
 
     @abstractmethod
-    def write_mat_file(self, dep_dict, dep_end_time):
+    def update_depleted_materials(self, dep_dict, dep_end_time):
         """Writes the iteration input file containing the burnable materials
         composition used in depletion runs and updated after each depletion
         step.

saltproc/app.py

@@ -84,7 +84,7 @@ def run():
         print("Removed mass [g]:", extracted_mass)
         # Store in DB after reprocessing and refill (right before next depl)
         simulation.store_after_repr(mats, waste_and_feed_streams, dep_step)
-        depcode.write_mat_file(mats, simulation.burn_time)
+        depcode.update_depleted_materials(mats, simulation.burn_time)
         del mats, waste_streams, waste_and_feed_streams, extracted_mass
         gc.collect()
         # Switch to another geometry?
@@ -520,7 +520,7 @@ def refill_materials(mats, extracted_mass, waste_streams, process_file):
     process_file : str
         Path to the `.json` file describing the fuel reprocessing components.
 
-        Returns
+    Returns
     -------
     waste_streams : dict of str to dict
         Superset of the input parameter `waste_streams`. Dictionary has

saltproc/openmc_depcode.py

@@ -255,7 +255,7 @@ def write_depletion_settings(self, reactor, current_depstep_idx):
         with open(self.iter_inputfile['depletion_settings'], 'w') as f:
             f.writelines(json_dep_settings)
 
-    def write_mat_file(self, dep_dict, dep_end_time):
+    def update_depleted_materials(self, dep_dict, dep_end_time):
         """Writes the iteration input file containing the burnable materials
         composition used in OpenMC depletion runs and updated after each
         depletion step.

saltproc/serpent_depcode.py

@@ -518,40 +518,36 @@ def write_depcode_input(self, reactor, dep_step, restart):
             out_file.writelines(data)
             out_file.close()
 
-    def write_mat_file(self, dep_dict, dep_end_time):
-        """Writes the iteration input file containing the burnable materials
-        composition used in Serpent2 runs and updated after each depletion
-        step.
+    def update_depleted_materials(self, mats, dep_end_time):
+        """Update material file with reprocessed material compositions.
 
         Parameters
         ----------
-        dep_dict : dict of str to Materialflow
-            Dictionary that contains `Materialflow` objects.
+        mats : dict of str to Materialflow
+            Dictionary containing reprocessed material compositions
 
             ``key``
                 Name of burnable material.
             ``value``
-                `Materialflow` object holding composition and properties.
+                :class:`Materialflow` object holding composition and properties.
         dep_end_time : float
             Current time at the end of the depletion step (d).
 
         """
 
-        matf = open(self.iter_matfile, 'w')
-        matf.write('%% Material compositions (after %f days)\n\n'
-                   % dep_end_time)
-        nuc_code_map = self.map_nuclide_code_zam_to_serpent()
-        for key, value in dep_dict.items():
-            matf.write('mat  %s  %5.9E burn 1 fix %3s %4i vol %7.5E\n' %
-                       (key,
-                        -dep_dict[key].density,
-                        '09c',
-                        dep_dict[key].temp,
-                        dep_dict[key].vol))
-            for nuc_code, wt_frac in dep_dict[key].comp.items():
-                # Transforms iso name from zas to zzaaam and then to SERPENT
-                iso_name_serpent = pyname.zzaaam(nuc_code)
-                matf.write('           %9s  %7.14E\n' %
-                           (nuc_code_map[iso_name_serpent],
-                            -wt_frac))
-        matf.close()
+        with open(self.iter_matfile, 'w') as f:
+            f.write('%% Material compositions (after %f days)\n\n'
+                    % dep_end_time)
+            nuc_code_map = self.map_nuclide_code_zam_to_serpent()
+            for name, mat in mats.items():
+                f.write('mat  %s  %5.9E burn 1 fix %3s %4i vol %7.5E\n' %
+                        (name,
+                         -mat.density,
+                         '09c',
+                         mat.temp,
+                         mat.vol))
+                for nuc_code, mass_fraction in mat.comp.items():
+                    zam_code = pyname.zzaaam(nuc_code)
+                    f.write('           %9s  %7.14E\n' %
+                            (nuc_code_map[zam_code],
+                             -mass_fraction))

tests/integration_tests/file_interface_serpent/test.py

@@ -60,8 +60,8 @@ def test_iter_input_from_template(serpent_depcode, msr):
 def test_write_iter_files(serpent_depcode, msr):
     mats = serpent_depcode.read_depleted_materials(True)
 
-    # write_mat_file
-    serpent_depcode.write_mat_file(mats, 12.0)
+    # update_depleted_materials
+    serpent_depcode.update_depleted_materials(mats, 12.0)
     file = serpent_depcode.iter_matfile
     file_data = serpent_depcode.read_plaintext_file(file)
     assert file_data[0] == '% Material compositions (after 12.000000 days)\n'

tests/integration_tests/run_no_reprocessing/test.py

@@ -101,6 +101,6 @@ def runsim_no_reproc(simulation, reactor, nsteps):
             True)
         simulation.store_mat_data(mats, dep_step, False)
         simulation.store_run_step_info()
-        simulation.sim_depcode.write_mat_file(
+        simulation.sim_depcode.update_depleted_materials(
             mats,
             simulation.burn_time)