Move openmc_finalize to C++

include/openmc/finalize.h

@@ -3,8 +3,6 @@
 
 namespace openmc {
 
-extern "C" void openmc_free_bank();
-
 } // namespace openmc
 
 #endif // OPENMC_FINALIZE_H

include/openmc/settings.h

@@ -68,7 +68,7 @@ extern "C" int32_t gen_per_batch;  //!< number of generations per batch
 extern "C" int64_t n_particles;    //!< number of particles per generation
 
 extern "C" int electron_treatment;       //!< how to treat secondary electrons
-extern "C" double energy_cutoff[4];      //!< Energy cutoff in [eV] for each particle type
+extern "C" std::array<double, 4> energy_cutoff;      //!< Energy cutoff in [eV] for each particle type
 extern "C" int legendre_to_tabular_points; //!< number of points to convert Legendres
 extern "C" int max_order;                //!< Maximum Legendre order for multigroup data
 extern "C" int n_log_bins;               //!< number of bins for logarithmic energy grid
@@ -82,7 +82,7 @@ extern std::unordered_set<int> statepoint_batch; //!< Batches when state should
 extern "C" int temperature_method;       //!< method for choosing temperatures
 extern "C" double temperature_tolerance; //!< Tolerance in [K] on choosing temperatures
 extern "C" double temperature_default;   //!< Default T in [K]
-extern "C" double temperature_range[2];  //!< Min/max T in [K] over which to load xs
+extern "C" std::array<double, 2> temperature_range;  //!< Min/max T in [K] over which to load xs
 extern "C" int trace_batch;              //!< Batch to trace particle on
 extern "C" int trace_gen;                //!< Generation to trace particle on
 extern "C" int64_t trace_particle;       //!< Particle ID to enable trace on

src/api.F90

@@ -49,7 +49,6 @@ module openmc_api
   public :: openmc_filter_get_type
   public :: openmc_filter_set_id
   public :: openmc_filter_set_type
-  public :: openmc_finalize
   public :: openmc_find_cell
   public :: openmc_get_cell_index
   public :: openmc_get_keff
@@ -96,89 +95,6 @@ module openmc_api
 
 contains
 
-!===============================================================================
-! OPENMC_FINALIZE frees up memory by deallocating arrays and resetting global
-! variables
-!===============================================================================
-
-  function openmc_finalize() result(err) bind(C)
-    integer(C_INT) :: err
-
-    interface
-      subroutine openmc_free_bank() bind(C)
-      end subroutine openmc_free_bank
-    end interface
-
-    ! Clear results
-    err = openmc_reset()
-
-    ! Reset global variables
-    assume_separate = .false.
-    check_overlaps = .false.
-    confidence_intervals = .false.
-    create_fission_neutrons = .true.
-    electron_treatment = ELECTRON_LED
-    energy_cutoff(:) = [ZERO, 1000.0_8, ZERO, ZERO]
-    energy_max(:) = [INFINITY, INFINITY]
-    energy_min(:) = [ZERO, ZERO]
-    entropy_on = .false.
-    gen_per_batch = 1
-    index_entropy_mesh = -1
-    index_ufs_mesh = -1
-    keff = ONE
-    legendre_to_tabular = .true.
-    legendre_to_tabular_points = C_NONE
-    n_batch_interval = 1
-    n_lost_particles = 0
-    n_particles = -1
-    n_tallies = 0
-    output_summary = .true.
-    output_tallies = .true.
-    particle_restart_run = .false.
-    photon_transport = .false.
-    pred_batches = .false.
-    reduce_tallies = .true.
-    res_scat_on = .false.
-    res_scat_method = RES_SCAT_ARES
-    res_scat_energy_min = 0.01_8
-    res_scat_energy_max = 1000.0_8
-    restart_run = .false.
-    root_universe = -1
-    run_CE = .true.
-    run_mode = -1
-    dagmc = .false.
-    satisfy_triggers = .false.
-    call openmc_set_seed(DEFAULT_SEED)
-    source_latest = .false.
-    source_separate = .false.
-    source_write = .true.
-    survival_biasing = .false.
-    temperature_default = 293.6_8
-    temperature_method = TEMPERATURE_NEAREST
-    temperature_multipole = .false.
-    temperature_range = [ZERO, ZERO]
-    temperature_tolerance = 10.0_8
-    total_gen = 0
-    trigger_on = .false.
-    ufs = .false.
-    urr_ptables_on = .true.
-    verbosity = 7
-    weight_cutoff = 0.25_8
-    weight_survive = ONE
-    write_all_tracks = .false.
-    write_initial_source = .false.
-
-    ! Deallocate arrays
-    call free_memory()
-
-    err = 0
-#ifdef OPENMC_MPI
-    ! Free all MPI types
-    call openmc_free_bank()
-#endif
-
-  end function openmc_finalize
-
 !===============================================================================
 ! OPENMC_FIND_CELL determines what cell contains a given point in space
 !===============================================================================
@@ -280,7 +196,7 @@ contains
 ! program
 !===============================================================================
 
-  subroutine free_memory()
+  subroutine free_memory() bind(C)
 
     use cmfd_header
     use photon_header

src/finalize.cpp

@@ -1,14 +1,89 @@
 #include "openmc/finalize.h"
 
+#include "openmc/capi.h"
+#include "openmc/constants.h"
+#include "openmc/geometry.h"
 #include "openmc/message_passing.h"
+#include "openmc/nuclide.h"
+#include "openmc/random_lcg.h"
+#include "openmc/settings.h"
+#include "openmc/simulation.h"
 
-namespace openmc {
+// Functions defined in Fortran
+extern "C" void free_memory();
 
-void openmc_free_bank()
+int openmc_finalize()
 {
+  using namespace openmc;
+
+  // Clear results
+  openmc_reset();
+
+  // Reset global variables
+  settings::assume_separate = false;
+  settings::check_overlaps = false;
+  settings::confidence_intervals = false;
+  settings::create_fission_neutrons = true;
+  settings::electron_treatment = ELECTRON_LED;
+  settings::energy_cutoff = {0.0, 1000.0, 0.0, 0.0};
+  settings::entropy_on = false;
+  settings::gen_per_batch = 1;
+  settings::index_entropy_mesh = -1;
+  settings::index_ufs_mesh = -1;
+  settings::legendre_to_tabular = true;
+  settings::legendre_to_tabular_points = -1;
+  settings::n_particles = -1;
+  settings::output_summary = true;
+  settings::output_tallies = true;
+  settings::particle_restart_run = false;
+  settings::photon_transport = false;
+  settings::reduce_tallies = true;
+  settings::res_scat_on = false;
+  settings::res_scat_method = RES_SCAT_ARES;
+  settings::res_scat_energy_min = 0.01;
+  settings::res_scat_energy_max = 1000.0;
+  settings::restart_run = false;
+  settings::run_CE = true;
+  settings::run_mode = -1;
+  settings::dagmc = false;
+  settings::source_latest = false;
+  settings::source_separate = false;
+  settings::source_write = true;
+  settings::survival_biasing = false;
+  settings::temperature_default = 293.6;
+  settings::temperature_method = TEMPERATURE_NEAREST;
+  settings::temperature_multipole = false;
+  settings::temperature_range = {0.0, 0.0};
+  settings::temperature_tolerance = 10.0;
+  settings::trigger_on = false;
+  settings::trigger_predict = false;
+  settings::trigger_batch_interval = 1;
+  settings::ufs_on = false;
+  settings::urr_ptables_on = true;
+  settings::verbosity = 7;
+  settings::weight_cutoff = 0.25;
+  settings::weight_survive = 1.0;
+  settings::write_all_tracks = false;
+  settings::write_initial_source = false;
+
+  simulation::keff = 1.0;
+  simulation::n_lost_particles = 0;
+  simulation::satisfy_triggers = false;
+  simulation::total_gen = 0;
+
+  energy_max = {INFTY, INFTY};
+  energy_min = {0.0, 0.0};
+  n_tallies = 0;
+  openmc_root_universe = -1;
+  openmc_set_seed(DEFAULT_SEED);
+
+  // Deallocate arrays
+  free_memory();
+
+  // Free all MPI types
 #ifdef OPENMC_MPI
   MPI_Type_free(&mpi::bank);
 #endif
-}
 
-} // namespace openmc
+  return 0;
+}

src/settings.cpp

@@ -79,7 +79,7 @@ int32_t gen_per_batch {1};
 int64_t n_particles {-1};
 
 int electron_treatment {ELECTRON_TTB};
-double energy_cutoff[4] {0.0, 1000.0, 0.0, 0.0};
+std::array<double, 4> energy_cutoff {0.0, 1000.0, 0.0, 0.0};
 int legendre_to_tabular_points {C_NONE};
 int max_order {0};
 int n_log_bins {8000};
@@ -93,7 +93,7 @@ std::unordered_set<int> statepoint_batch;
 int temperature_method {TEMPERATURE_NEAREST};
 double temperature_tolerance {10.0};
 double temperature_default {293.6};
-double temperature_range[2] {0.0, 0.0};
+std::array<double, 2> temperature_range {0.0, 0.0};
 int trace_batch;
 int trace_gen;
 int64_t trace_particle;