Rename current_source_file -> ssw_current_file

include/openmc/simulation.h

@@ -22,12 +22,11 @@ constexpr int STATUS_EXIT_ON_TRIGGER {2};
 
 namespace simulation {
 
-extern "C" int current_batch;        //!< current batch
-extern "C" int current_surface_file; //!< currente surface source file
-extern "C" int current_gen;          //!< current fission generation
-extern "C" bool initialized;         //!< has simulation been initialized?
-extern "C" double keff;              //!< average k over batches
-extern "C" double keff_std;          //!< standard deviation of average k
+extern "C" int current_batch; //!< current batch
+extern "C" int current_gen;   //!< current fission generation
+extern "C" bool initialized;  //!< has simulation been initialized?
+extern "C" double keff;       //!< average k over batches
+extern "C" double keff_std;   //!< standard deviation of average k
 extern "C" double k_col_abs; //!< sum over batches of k_collision * k_absorption
 extern "C" double
   k_col_tra; //!< sum over batches of k_collision * k_tracklength
@@ -38,6 +37,7 @@ extern "C" int n_lost_particles;   //!< cumulative number of lost particles
 extern "C" bool need_depletion_rx; //!< need to calculate depletion rx?
 extern "C" int restart_batch;      //!< batch at which a restart job resumed
 extern "C" bool satisfy_triggers;  //!< have tally triggers been satisfied?
+extern int ssw_current_file;       //!< current surface source file
 extern "C" int total_gen;          //!< total number of generations simulated
 extern double total_weight;        //!< Total source weight in a batch
 extern int64_t work_per_rank;      //!< number of particles per MPI rank

src/finalize.cpp

@@ -120,6 +120,10 @@ int openmc_finalize()
   settings::source_latest = false;
   settings::source_separate = false;
   settings::source_write = true;
+  settings::ssw_cell_id = C_NONE;
+  settings::ssw_cell_type = SSWCellType::None;
+  settings::ssw_max_particles = 0;
+  settings::ssw_max_files = 1;
   settings::survival_biasing = false;
   settings::temperature_default = 293.6;
   settings::temperature_method = TemperatureMethod::NEAREST;
@@ -141,6 +145,7 @@ int openmc_finalize()
 
   simulation::keff = 1.0;
   simulation::need_depletion_rx = false;
+  simulation::ssw_current_file = 1;
   simulation::total_gen = 0;
 
   simulation::entropy_mesh = nullptr;

src/simulation.cpp

@@ -117,7 +117,7 @@ int openmc_simulation_init()
   // Reset global variables -- this is done before loading state point (as that
   // will potentially populate k_generation and entropy)
   simulation::current_batch = 0;
-  simulation::current_surface_file = 1;
+  simulation::ssw_current_file = 1;
   simulation::k_generation.clear();
   simulation::entropy.clear();
   openmc_reset();
@@ -297,7 +297,6 @@ namespace openmc {
 namespace simulation {
 
 int current_batch;
-int current_surface_file;
 int current_gen;
 bool initialized {false};
 double keff {1.0};
@@ -310,6 +309,7 @@ int n_lost_particles {0};
 bool need_depletion_rx {false};
 int restart_batch;
 bool satisfy_triggers {false};
+int ssw_current_file;
 int total_gen {0};
 double total_weight;
 int64_t work_per_rank;
@@ -456,27 +456,33 @@ void finalize_batch()
 
   // Write out surface source if requested.
   if (settings::surf_source_write &&
-      simulation::current_surface_file <= settings::ssw_max_files) {
-    if (simulation::surf_source_bank.full() ||
-        simulation::current_batch == settings::n_batches) {
-      auto filename = settings::path_output + "surface_source." +
-                      std::to_string(simulation::current_batch);
-      // no batches specified for writing, write surface source bank
+      simulation::ssw_current_file <= settings::ssw_max_files) {
+    bool last_batch = (simulation::current_batch == settings::n_batches);
+    if (simulation::surf_source_bank.full() || last_batch) {
+      // Determine appropriate filename
+      auto filename = fmt::format("{}surface_source.{}", settings::path_output,
+        simulation::current_batch);
       if (settings::ssw_max_files == 1 ||
-          (simulation::current_surface_file == 1 &&
-            simulation::current_batch == settings::n_batches))
+          (simulation::ssw_current_file == 1 && last_batch)) {
         filename = settings::path_output + "surface_source";
+      }
+
+      // Get span of source bank and calculate parallel index vector
       auto surf_work_index = mpi::calculate_parallel_index_vector(
         simulation::surf_source_bank.size());
       gsl::span<SourceSite> surfbankspan(simulation::surf_source_bank.begin(),
         simulation::surf_source_bank.size());
+
+      // Write surface source file
       write_source_point(
         filename, surfbankspan, surf_work_index, settings::surf_mcpl_write);
+
+      // Reset surface source bank and increment counter
       simulation::surf_source_bank.clear();
-      if (simulation::current_batch < settings::n_batches &&
-          settings::ssw_max_files >= 1)
+      if (!last_batch && settings::ssw_max_files >= 1) {
         simulation::surf_source_bank.reserve(settings::ssw_max_particles);
-      ++simulation::current_surface_file;
+      }
+      ++simulation::ssw_current_file;
     }
   }
 }

tests/unit_tests/test_surface_source_write.py

@@ -8,7 +8,6 @@
 import pytest
 import h5py
 import numpy as np
-import os
 
 
 @pytest.fixture(scope="module")
@@ -52,16 +51,16 @@ def model():
     openmc.reset_auto_ids()
     model = openmc.Model()
 
-    ## Material
-    #material = openmc.Material(name="H1")
-    #material.add_element("H", 1.0)
+    # Material
+    h1 = openmc.Material(name="H1")
+    h1.add_nuclide("H1", 1.0)
+    h1.set_density('g/cm3', 1e-7)
 
     # Geometry
     radius = 1.0
     sphere = openmc.Sphere(r=radius, boundary_type="vacuum")
-    cell = openmc.Cell(region=-sphere, fill=None)
-    root = openmc.Universe(cells=[cell])
-    model.geometry = openmc.Geometry(root)
+    cell = openmc.Cell(region=-sphere, fill=h1)
+    model.geometry = openmc.Geometry([cell])
 
     # Settings
     model.settings = openmc.Settings()
@@ -72,27 +71,31 @@ def model():
 
     distribution = openmc.stats.Point()
     model.settings.source = openmc.IndependentSource(space=distribution)
-
     return model
 
+
 @pytest.mark.parametrize(
-    "parameter",
+    "max_particles, max_source_files",
     [
-        {"max_particles": 100, "max_source_files": 2},
-        {"max_particles": 100, "max_source_files": 3},
+        (100, 2),
+        (100, 3),
+        (100, 1),
     ],
 )
-
-def test_number_surface_source_file_created(parameter, run_in_tmpdir, model):
+def test_number_surface_source_file_created(max_particles, max_source_files,
+                                            run_in_tmpdir, model):
     """Check the number of surface source files written."""
-    model.settings.surf_source_write = parameter
+    model.settings.surf_source_write = {
+        "max_particles": max_particles,
+        "max_source_files": max_source_files
+    }
     model.run()
-    for i in range(1,parameter["max_source_files"]):
-        filename = "surface_source."+str(i)+".h5"
-        if not os.path.exists(filename):
-            assert False
-    if os.path.exists("surface_source.h5"):
-        assert False
+    should_be_numbered = max_source_files > 1
+    for i in range(1, max_source_files + 1):
+        if should_be_numbered:
+            assert Path(f"surface_source.{i}.h5").exists()
+    if not should_be_numbered:
+        assert Path("surface_source.h5").exists()
 
 ERROR_MSG_1 = (
     "A maximum number of particles needs to be specified "