Merge remote-tracking branch 'upstream/develop' into cpp_geometry

include/openmc/capi.h

@@ -30,7 +30,6 @@ extern "C" {
   int openmc_extend_filters(int32_t n, int32_t* index_start, int32_t* index_end);
   int openmc_extend_materials(int32_t n, int32_t* index_start, int32_t* index_end);
   int openmc_extend_meshes(int32_t n, int32_t* index_start, int32_t* index_end);
-  int openmc_extend_sources(int32_t n, int32_t* index_start, int32_t* index_end);
   int openmc_extend_tallies(int32_t n, int32_t* index_start, int32_t* index_end);
   int openmc_filter_get_id(int32_t index, int32_t* id);
   int openmc_filter_get_type(int32_t index, char* type);
@@ -57,6 +56,7 @@ extern "C" {
   int openmc_material_add_nuclide(int32_t index, const char name[], double density);
   int openmc_material_get_densities(int32_t index, int** nuclides, double** densities, int* n);
   int openmc_material_get_id(int32_t index, int32_t* id);
+  int openmc_material_get_fissionable(int32_t index, bool* fissionable);
   int openmc_material_get_volume(int32_t index, double* volume);
   int openmc_material_set_density(int32_t index, double density);
   int openmc_material_set_densities(int32_t index, int n, const char** name, const double* density);
@@ -84,7 +84,6 @@ extern "C" {
   int openmc_simulation_finalize();
   int openmc_simulation_init();
   int openmc_source_bank(struct Bank** ptr, int64_t* n);
-  int openmc_source_set_strength(int32_t index, double strength);
   int openmc_spatial_legendre_filter_get_order(int32_t index, int* order);
   int openmc_spatial_legendre_filter_get_params(int32_t index, int* axis, double* min, double* max);
   int openmc_spatial_legendre_filter_set_order(int32_t index, int order);

include/openmc/distribution.h

@@ -36,6 +36,10 @@ public:
   //! Sample a value from the distribution
   //! \return Sampled value
   double sample() const;
+
+  // Properties
+  const std::vector<double>& x() const { return x_; }
+  const std::vector<double>& p() const { return p_; }
 private:
   std::vector<double> x_; //!< Possible outcomes
   std::vector<double> p_; //!< Probability of each outcome

include/openmc/distribution_multi.h

@@ -3,6 +3,8 @@
 
 #include <memory>
 
+#include "pugixml.hpp"
+
 #include "openmc/distribution.h"
 #include "openmc/position.h"
 
@@ -16,14 +18,15 @@ namespace openmc {
 class UnitSphereDistribution {
 public:
   UnitSphereDistribution() { };
-  explicit UnitSphereDistribution(Direction u) : u_ref{u} { };
+  explicit UnitSphereDistribution(Direction u) : u_ref_{u} { };
+  explicit UnitSphereDistribution(pugi::xml_node node);
   virtual ~UnitSphereDistribution() = default;
 
   //! Sample a direction from the distribution
   //! \return Direction sampled
   virtual Direction sample() const = 0;
 
-  Direction u_ref {0.0, 0.0, 1.0};  //!< reference direction
+  Direction u_ref_ {0.0, 0.0, 1.0};  //!< reference direction
 };
 
 //==============================================================================
@@ -33,6 +36,7 @@ public:
 class PolarAzimuthal : public UnitSphereDistribution {
 public:
   PolarAzimuthal(Direction u, UPtrDist mu, UPtrDist phi);
+  explicit PolarAzimuthal(pugi::xml_node node);
 
   //! Sample a direction from the distribution
   //! \return Direction sampled
@@ -62,12 +66,15 @@ public:
 class Monodirectional : public UnitSphereDistribution {
 public:
   Monodirectional(Direction u) : UnitSphereDistribution{u} { };
+  explicit Monodirectional(pugi::xml_node node) : UnitSphereDistribution{node} { };
 
   //! Sample a direction from the distribution
   //! \return Sampled direction
   Direction sample() const;
 };
 
+using UPtrAngle = std::unique_ptr<UnitSphereDistribution>;
+
 } // namespace openmc
 
 #endif // DISTRIBUTION_MULTI_H

include/openmc/distribution_spatial.h

@@ -1,4 +1,4 @@
-#ifndef OPENMC_DISTRIBTUION_SPATIAL_H
+#ifndef OPENMC_DISTRIBUTION_SPATIAL_H
 #define OPENMC_DISTRIBUTION_SPATIAL_H
 
 #include "pugixml.hpp"
@@ -43,15 +43,18 @@ private:
 
 class SpatialBox : public SpatialDistribution {
 public:
-  explicit SpatialBox(pugi::xml_node node);
+  explicit SpatialBox(pugi::xml_node node, bool fission=false);
 
   //! Sample a position from the distribution
   //! \return Sampled position
   Position sample() const;
+
+  // Properties
+  bool only_fissionable() const { return only_fissionable_; }
 private:
   Position lower_left_; //!< Lower-left coordinates of box
   Position upper_right_; //!< Upper-right coordinates of box
-  bool only_fissionable {false}; //!< Only accept sites in fissionable region?
+  bool only_fissionable_ {false}; //!< Only accept sites in fissionable region?
 };
 
 //==============================================================================
@@ -60,6 +63,8 @@ private:
 
 class SpatialPoint : public SpatialDistribution {
 public:
+  SpatialPoint() : r_{} { };
+  SpatialPoint(Position r) : r_{r} { };
   explicit SpatialPoint(pugi::xml_node node);
 
   //! Sample a position from the distribution
@@ -69,6 +74,8 @@ private:
   Position r_; //!< Single position at which sites are generated
 };
 
+using UPtrSpace = std::unique_ptr<SpatialDistribution>;
+
 } // namespace openmc
 
 #endif // OPENMC_DISTRIBUTION_SPATIAL_H

include/openmc/file_utils.h

@@ -0,0 +1,20 @@
+#ifndef OPENMC_FILE_UTILS_H
+#define OPENMC_FILE_UTILS_H
+
+#include <fstream> // for ifstream
+#include <string>
+
+namespace openmc {
+
+//! Determine if a file exists
+//! \param[in] filename Path to file
+//! \return Whether file exists
+inline bool file_exists(const std::string& filename)
+{
+  std::ifstream s {filename};
+  return s.good();
+}
+
+} // namespace openmc
+
+#endif // OPENMC_FILE_UTILS_H

include/openmc/mgxs_interface.h

@@ -16,6 +16,7 @@ namespace openmc {
 
 extern std::vector<Mgxs> nuclides_MG;
 extern std::vector<Mgxs> macro_xs;
+extern "C" int num_energy_groups;
 
 //==============================================================================
 // Mgxs data loading interface methods

include/openmc/nuclide.h

@@ -1,10 +1,24 @@
+//! \file nuclide.h
+//! \brief Nuclide type and other associated types/data
+
 #ifndef OPENMC_NUCLIDE_H
 #define OPENMC_NUCLIDE_H
 
+#include <array>
+
 #include "openmc/constants.h"
 
 namespace openmc {
 
+//==============================================================================
+// Global variables
+//==============================================================================
+
+// Minimum/maximum transport energy for each particle type. Order corresponds to
+// that of the ParticleType enum
+extern std::array<double, 2> energy_min;
+extern std::array<double, 2> energy_max;
+
 //===============================================================================
 //! Cached microscopic cross sections for a particular nuclide at the current
 //! energy

include/openmc/particle.h

@@ -35,7 +35,7 @@ constexpr double REL_MAX_LOST_PARTICLES {1.0e-6};
 
 //! Particle types
 enum class ParticleType {
-  neutron, photon, electron, positron
+  neutron = 1, photon = 2, electron = 3, positron = 4
 };
 
 extern "C" {

include/openmc/settings.h

@@ -18,10 +18,12 @@ namespace openmc {
 // Defined on Fortran side
 extern "C" bool openmc_check_overlaps;
 extern "C" bool openmc_particle_restart_run;
+extern "C" bool openmc_photon_transport;
 extern "C" bool openmc_restart_run;
+extern "C" bool openmc_run_CE;
 extern "C" int openmc_verbosity;
 extern "C" bool openmc_write_all_tracks;
-extern "C" double temperature_default;
+extern "C" bool openmc_write_initial_source;
 
 // Defined in .cpp
 // TODO: Make strings instead of char* once Fortran is gone

include/openmc/simulation.h

@@ -1,14 +1,39 @@
+//! \file simulation.h
+//! \brief Variables/functions related to a running simulation
+
 #ifndef OPENMC_SIMULATION_H
 #define OPENMC_SIMULATION_H
 
 #include <cstdint>
+#include <vector>
+
+namespace openmc {
+
+//==============================================================================
+// Global variables
+//==============================================================================
 
 extern "C" int openmc_current_batch;
 extern "C" int openmc_current_gen;
 extern "C" int64_t openmc_current_work;
 extern "C" int openmc_n_lost_particles;
+extern "C" int openmc_total_gen;
 extern "C" bool openmc_trace;
 
+extern std::vector<int64_t> work_index;
+
 #pragma omp threadprivate(openmc_current_work, openmc_trace)
 
+//==============================================================================
+// Functions
+//==============================================================================
+
+//! Initialize simulation
+extern "C" void openmc_simulation_init_c();
+
+//! Determine number of particles to transport per process
+void calculate_work();
+
+} // namespace openmc
+
 #endif // OPENMC_SIMULATION_H

include/openmc/source.h

@@ -0,0 +1,63 @@
+//! \file source.h
+//! \brief External source distributions
+
+#ifndef OPENMC_SOURCE_H
+#define OPENMC_SOURCE_H
+
+#include <memory>
+#include <vector>
+
+#include "pugixml.hpp"
+
+#include "openmc/distribution_multi.h"
+#include "openmc/distribution_spatial.h"
+#include "openmc/capi.h"
+#include "openmc/particle.h"
+
+namespace openmc {
+
+//==============================================================================
+//! External source distribution
+//==============================================================================
+
+class SourceDistribution {
+public:
+  // Constructors
+  SourceDistribution(UPtrSpace space, UPtrAngle angle, UPtrDist energy);
+  explicit SourceDistribution(pugi::xml_node node);
+
+  //! Sample from the external source distribution
+  //! \return Sampled site
+  Bank sample() const;
+
+  // Properties
+  double strength() const { return strength_; }
+private:
+  ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
+  double strength_ {1.0}; //!< Source strength
+  UPtrSpace space_; //!< Spatial distribution
+  UPtrAngle angle_; //!< Angular distribution
+  UPtrDist energy_; //!< Energy distribution
+};
+
+//==============================================================================
+// Global variables
+//==============================================================================
+
+extern std::vector<SourceDistribution> external_sources;
+
+//==============================================================================
+// Functions
+//==============================================================================
+
+//! Initialize source bank from file/distribution
+extern "C" void initialize_source();
+
+//! Sample a site from all external source distributions in proportion to their
+//! source strength
+//! \return Sampled source site
+extern "C" Bank sample_external_source();
+
+} // namespace openmc
+
+#endif // OPENMC_SOURCE_H