Convert remainder of tallies to C++

CMakeLists.txt

@@ -303,7 +303,6 @@ target_compile_options(faddeeva PRIVATE ${cxxflags})
 
 add_library(libopenmc SHARED
   src/bank_header.F90
-  src/api.F90
   src/constants.F90
   src/dict_header.F90
   src/error.F90
@@ -321,13 +320,6 @@ add_library(libopenmc SHARED
   src/string.F90
   src/vector_header.F90
   src/xml_interface.F90
-  src/tallies/tally.F90
-  src/tallies/tally_derivative_header.F90
-  src/tallies/tally_filter_header.F90
-  src/tallies/tally_filter_distribcell.F90
-  src/tallies/tally_filter_particle.F90
-  src/tallies/tally_filter_sph_harm.F90
-  src/tallies/tally_header.F90
   src/bank.cpp
   src/bremsstrahlung.cpp
   src/dagmc.cpp

include/openmc/bank.h

@@ -42,6 +42,12 @@ extern std::vector<Bank> master_fission_bank;
 
 } // namespace simulation
 
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+void free_memory_bank();
+
 } // namespace openmc
 
 #endif // OPENMC_BANK_H

include/openmc/capi.h

@@ -43,7 +43,7 @@ extern "C" {
   int openmc_filter_get_type(int32_t index, const char** type);
   int openmc_filter_set_id(int32_t index, int32_t id);
   int openmc_finalize();
-  int openmc_find_cell(double* xyz, int32_t* index, int32_t* instance);
+  int openmc_find_cell(const double* xyz, int32_t* index, int32_t* instance);
   int openmc_get_cell_index(int32_t id, int32_t* index);
   int openmc_get_filter_index(int32_t id, int32_t* index);
   void openmc_get_filter_next_id(int32_t* id);
@@ -102,7 +102,7 @@ extern "C" {
   int openmc_statepoint_write(const char* filename, bool* write_source);
   int openmc_tally_allocate(int32_t index, const char* type);
   int openmc_tally_get_active(int32_t index, bool* active);
-  int openmc_tally_get_estimator(int32_t index, int32_t* estimator);
+  int openmc_tally_get_estimator(int32_t index, int* estimator);
   int openmc_tally_get_id(int32_t index, int32_t* id);
   int openmc_tally_get_filters(int32_t index, const int32_t** indices, int* n);
   int openmc_tally_get_n_realizations(int32_t index, int32_t* n);

include/openmc/cmfd_solver.h

@@ -0,0 +1,10 @@
+#ifndef OPENMC_CMFD_SOLVER_H
+#define OPENMC_CMFD_SOLVER_H
+
+namespace openmc {
+
+void free_memory_cmfd();
+
+}
+
+#endif // OPENMC_CMFD_SOLVER_H

include/openmc/cross_sections.h

@@ -70,6 +70,8 @@ void read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
 //! Read cross_sections.xml and populate data libraries
 void read_ce_cross_sections_xml();
 
+void library_clear();
+
 } // namespace openmc
 
 #endif // OPENMC_CROSS_SECTIONS_H

include/openmc/dagmc.h

@@ -23,7 +23,7 @@ namespace model {
 //==============================================================================
 
 void load_dagmc_geometry();
-extern "C" void free_memory_dagmc();
+void free_memory_dagmc();
 void read_geometry_dagmc();
 bool read_uwuw_materials(pugi::xml_document& doc);
 bool get_uwuw_materials_xml(std::string& s);

include/openmc/geometry_aux.h

@@ -113,7 +113,7 @@ extern "C" int maximum_levels(int32_t univ);
 //! Deallocates global vectors and maps for cells, universes, and lattices.
 //==============================================================================
 
-extern "C" void free_memory_geometry();
+void free_memory_geometry();
 
 } // namespace openmc
 #endif // OPENMC_GEOMETRY_AUX_H

include/openmc/material.h

@@ -112,6 +112,8 @@ class Material
 //! Read material data from materials.xml
 void read_materials_xml();
 
+void free_memory_material();
+
 //==============================================================================
 // Fortran compatibility
 //==============================================================================

include/openmc/mesh.h

@@ -130,6 +130,8 @@ void read_meshes(pugi::xml_node root);
 //! \param[in] group HDF5 group
 void meshes_to_hdf5(hid_t group);
 
+void free_memory_mesh();
+
 } // namespace openmc
 
 #endif // OPENMC_MESH_H

include/openmc/nuclide.h

@@ -203,6 +203,12 @@ extern MaterialMacroXS material_xs;
 
 } // namespace simulation
 
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+void nuclides_clear();
+
 //==============================================================================
 // Fortran compatibility
 //==============================================================================

include/openmc/photon.h

@@ -119,6 +119,8 @@ struct ElementMicroXS {
 
 std::pair<double, double> klein_nishina(double alpha);
 
+void free_memory_photon();
+
 //==============================================================================
 // Global variables
 //==============================================================================

include/openmc/settings.h

@@ -94,11 +94,15 @@ extern double weight_cutoff;         //!< Weight cutoff for Russian roulette
 extern double weight_survive;        //!< Survival weight after Russian roulette
 } // namespace settings
 
+//==============================================================================
+// Functions
+//==============================================================================
+
 //! Read settings from XML file
 //! \param[in] root XML node for <settings>
 void read_settings_xml();
 
-extern "C" void read_settings_xml_f(pugi::xml_node_struct* root_ptr);
+void free_memory_settings();
 
 } // namespace openmc
 

include/openmc/simulation.h

@@ -84,13 +84,12 @@ void finalize_generation();
 //! Determine overall generation number
 extern "C" int overall_generation();
 
-extern "C" void simulation_init_f();
-extern "C" void simulation_finalize_f();
-
 #ifdef OPENMC_MPI
 void broadcast_results();
 #endif
 
+void free_memory_simulation();
+
 } // namespace openmc
 
 #endif // OPENMC_SIMULATION_H

include/openmc/source.h

@@ -67,6 +67,8 @@ Bank sample_external_source();
 //! Fill source bank at end of generation for fixed source simulations
 void fill_source_bank_fixedsource();
 
+void free_memory_source();
+
 } // namespace openmc
 
 #endif // OPENMC_SOURCE_H

include/openmc/surface.h

@@ -401,21 +401,7 @@ class SurfaceQuadric : public CSGSurface
 
 void read_surfaces(pugi::xml_node node);
 
-//==============================================================================
-// Fortran compatibility functions
-//==============================================================================
-
-extern "C" {
-  Surface* surface_pointer(int surf_ind);
-  int surface_id(Surface* surf);
-  int surface_bc(Surface* surf);
-  bool surface_sense(Surface* surf, double xyz[3], double uvw[3]);
-  void surface_reflect(Surface* surf, double xyz[3], double uvw[3]);
-  int surface_i_periodic(PeriodicSurface* surf);
-  bool surface_periodic(PeriodicSurface* surf, PeriodicSurface* other,
-                        double xyz[3], double uvw[3]);
-  void free_memory_surfaces_c();
-}
+void free_memory_surfaces();
 
 } // namespace openmc
 #endif // OPENMC_SURFACE_H

include/openmc/tallies/filter.h

@@ -102,9 +102,7 @@ namespace model {
 Filter* allocate_filter(const std::string& type);
 
 // Filter-related Fortran functions that will be called from C++
-extern "C" int verify_filter(int32_t index);
-extern "C" Filter* filter_from_f(int32_t index);
-extern "C" void filter_update_n_bins(int32_t index);
+int verify_filter(int32_t index);
 
 } // namespace openmc
 #endif // OPENMC_TALLIES_FILTER_H

include/openmc/tallies/tally.h

@@ -51,6 +51,8 @@ class Tally {
 
   void init_results();
 
+  void reset();
+
   void accumulate();
 
   //----------------------------------------------------------------------------
@@ -172,7 +174,7 @@ using adaptor_type = xt::xtensor_adaptor<xt::xbuffer_adaptor<double*&, xt::no_ow
 void reduce_tally_results();
 #endif
 
-extern "C" void free_memory_tally_c();
+void free_memory_tally();
 
 } // namespace openmc
 

include/openmc/thermal.h

@@ -138,6 +138,8 @@ class ThermalScattering {
   std::vector<ThermalData> data_;
 };
 
+void free_memory_thermal();
+
 } // namespace openmc
 
 #endif // OPENMC_THERMAL_H

include/openmc/volume_calc.h

@@ -1,5 +1,5 @@
-#ifndef VOLUME_CALC_H
-#define VOLUME_CALC_H
+#ifndef OPENMC_VOLUME_CALC_H
+#define OPENMC_VOLUME_CALC_H
 
 #include "openmc/position.h"
 
@@ -66,9 +66,15 @@ class VolumeCalculation {
 //==============================================================================
 
 namespace model {
-extern std::vector<VolumeCalculation> volume_calcs;
+  extern std::vector<VolumeCalculation> volume_calcs;
 }
 
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+void free_memory_volume();
+
 } // namespace openmc
 
-#endif // VOLUME_CALC_H
+#endif // OPENMC_VOLUME_CALC_H

openmc/capi/tally.py

@@ -32,7 +32,7 @@
 _dll.openmc_tally_get_active.argtypes = [c_int32, POINTER(c_bool)]
 _dll.openmc_tally_get_active.restype = c_int
 _dll.openmc_tally_get_active.errcheck = _error_handler
-_dll.openmc_tally_get_estimator.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_tally_get_estimator.argtypes = [c_int32, POINTER(int32)]
 _dll.openmc_tally_get_estimator.restype = c_int
 _dll.openmc_tally_get_estimator.errcheck = _error_handler
 _dll.openmc_tally_get_id.argtypes = [c_int32, POINTER(c_int32)]
@@ -84,6 +84,7 @@
 _dll.openmc_tally_set_type.argtypes = [c_int32, c_char_p]
 _dll.openmc_tally_set_type.restype = c_int
 _dll.openmc_tally_set_type.errcheck = _error_handler
+_dll.tallies_size.restype = c_size_t
 
 
 _SCORES = {
@@ -227,7 +228,7 @@ def type(self, type):
 
     @property
     def estimator(self):
-        estimator = c_int32()
+        estimator = c_int()
         _dll.openmc_tally_get_estimator(self._index, estimator)
         return _ESTIMATORS[estimator.value]
 
@@ -387,7 +388,7 @@ def __iter__(self):
             yield Tally(index=i + 1).id
 
     def __len__(self):
-        return c_int32.in_dll(_dll, 'n_tallies').value
+        return _dll.tallies_size()
 
     def __repr__(self):
         return repr(dict(self))