Move openmc_load_nuclide, openmc_material_add_nuclide, and read_mgxs to C++

include/openmc/capi.h

@@ -59,7 +59,7 @@ extern "C" {
   int openmc_init(int argc, char* argv[], const void* intracomm);
   int openmc_legendre_filter_get_order(int32_t index, int* order);
   int openmc_legendre_filter_set_order(int32_t index, int order);
-  int openmc_load_nuclide(const char name[]);
+  int openmc_load_nuclide(const char* name);
   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);

include/openmc/cross_sections.h

@@ -59,6 +59,14 @@ extern std::map<LibraryKey, std::size_t> library_map;
 //! libraries
 void read_cross_sections_xml();
 
+
+//! Load nuclide and thermal scattering data from HDF5 files
+//!
+//! \param[in] nuc_temps Temperatures for each nuclide in [K]
+//! \param[in] thermal_temps Temperatures for each thermal scattering table in [K]
+void read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
+  const std::vector<std::vector<double>>& thermal_temps);
+
 //! Read cross_sections.xml and populate data libraries
 void read_ce_cross_sections_xml();
 

include/openmc/hdf5_interface.h

@@ -137,6 +137,13 @@ void read_attribute(hid_t obj_id, const char* name, T& buffer)
   read_attr(obj_id, name, H5TypeMap<T>::type_id, &buffer);
 }
 
+// array version
+template<typename T, std::size_t N> inline void
+read_attribute(hid_t obj_id, const char* name, std::array<T, N>& buffer)
+{
+  read_attr(obj_id, name, H5TypeMap<T>::type_id, buffer.data());
+}
+
 // vector version
 template<typename T>
 void read_attribute(hid_t obj_id, const char* name, std::vector<T>& vec)

include/openmc/material.h

@@ -93,9 +93,6 @@ private:
   void calculate_photon_xs(const Particle& p) const;
 };
 
-void read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
-  const std::vector<std::vector<double>>& thermal_temps);
-
 //==============================================================================
 // Fortran compatibility
 //==============================================================================

include/openmc/mgxs.h

@@ -57,34 +57,25 @@ class Mgxs {
     //! @param in_fissionable Is this item fissionable or not.
     //! @param in_scatter_format Denotes whether Legendre, Tabular, or
     //!   Histogram scattering is used.
-    //! @param in_num_groups Number of energy groups.
-    //! @param in_num_delayed_groups Number of delayed groups.
     //! @param in_is_isotropic Is this an isotropic or angular with respect to
     //!   the incoming particle.
     //! @param in_polar Polar angle grid.
     //! @param in_azimuthal Azimuthal angle grid.
     void
     init(const std::string& in_name, double in_awr, const std::vector<double>& in_kTs,
-         bool in_fissionable, int in_scatter_format, int in_num_groups,
-         int in_num_delayed_groups, bool in_is_isotropic,
+         bool in_fissionable, int in_scatter_format, bool in_is_isotropic,
          const std::vector<double>& in_polar, const std::vector<double>& in_azimuthal);
 
     //! \brief Initializes the Mgxs object metadata from the HDF5 file
     //!
     //! @param xs_id HDF5 group id for the cross section data.
-    //! @param in_num_groups Number of energy groups.
-    //! @param in_num_delayed_groups Number of delayed groups.
     //! @param temperature Temperatures to read.
-    //! @param tolerance Tolerance of temperature selection method.
     //! @param temps_to_read Resultant list of temperatures in the library
     //!   to read which correspond to the requested temperatures.
     //! @param order_dim Resultant dimensionality of the scattering order.
-    //! @param method Method of choosing nearest temperatures.
     void
-    metadata_from_hdf5(hid_t xs_id, int in_num_groups,
-         int in_num_delayed_groups, const std::vector<double>& temperature,
-         double tolerance, std::vector<int>& temps_to_read, int& order_dim,
-         int& method);
+    metadata_from_hdf5(hid_t xs_id, const std::vector<double>& temperature,
+         std::vector<int>& temps_to_read, int& order_dim);
 
     //! \brief Performs the actual act of combining the microscopic data for a
     //!   single temperature.
@@ -118,21 +109,8 @@ class Mgxs {
     //! \brief Constructor that loads the Mgxs object from the HDF5 file
     //!
     //! @param xs_id HDF5 group id for the cross section data.
-    //! @param energy_groups Number of energy groups.
-    //! @param delayed_groups Number of delayed groups.
     //! @param temperature Temperatures to read.
-    //! @param tolerance Tolerance of temperature selection method.
-    //! @param max_order Maximum order requested by the user;
-    //!   this is only used for Legendre scattering.
-    //! @param legendre_to_tabular Flag to denote if any Legendre provided
-    //!   should be converted to a Tabular representation.
-    //! @param legendre_to_tabular_points If a conversion is requested, this
-    //!   provides the number of points to use in the tabular representation.
-    //! @param method Method of choosing nearest temperatures.
-    Mgxs(hid_t xs_id, int energy_groups,
-         int delayed_groups, const std::vector<double>& temperature, double tolerance,
-         int max_order, bool legendre_to_tabular,
-         int legendre_to_tabular_points, int& method);
+    Mgxs(hid_t xs_id, const std::vector<double>& temperature);
 
     //! \brief Constructor that initializes and populates all data to build a
     //!   macroscopic cross section from microscopic cross section.
@@ -141,11 +119,8 @@ class Mgxs {
     //! @param mat_kTs temperatures (in units of eV) that data is needed.
     //! @param micros Microscopic objects to combine.
     //! @param atom_densities Atom densities of those microscopic quantities.
-    //! @param tolerance Tolerance of temperature selection method.
-    //! @param method Method of choosing nearest temperatures.
     Mgxs(const std::string& in_name, const std::vector<double>& mat_kTs,
-         const std::vector<Mgxs*>& micros, const std::vector<double>& atom_densities,
-         double tolerance, int& method);
+         const std::vector<Mgxs*>& micros, const std::vector<double>& atom_densities);
 
     //! \brief Provides a cross section value given certain parameters
     //!

include/openmc/mgxs_interface.h

@@ -20,6 +20,7 @@ namespace data {
 extern std::vector<Mgxs> nuclides_MG;
 extern std::vector<Mgxs> macro_xs;
 extern "C" int num_energy_groups;
+extern "C" int num_delayed_groups;
 extern std::vector<double> energy_bins;
 extern std::vector<double> energy_bin_avg;
 extern std::vector<double> rev_energy_bins;
@@ -30,11 +31,11 @@ extern std::vector<double> rev_energy_bins;
 // Mgxs data loading interface methods
 //==============================================================================
 
+void read_mgxs();
+
 extern "C" void
-add_mgxs_c(hid_t file_id, const char* name, int energy_groups,
-     int delayed_groups, int n_temps, const double temps[], double tolerance,
-     int max_order, bool legendre_to_tabular, int legendre_to_tabular_points,
-     int& method);
+add_mgxs_c(hid_t file_id, const std::string& name,
+     const std::vector<double>& temperature);
 
 extern "C" bool
 query_fissionable_c(int n_nuclides, const int i_nuclides[]);

include/openmc/nuclide.h

@@ -97,7 +97,7 @@ public:
   };
 
   // Constructors
-  Nuclide(hid_t group, const double* temperature, int n, int i_nuclide);
+  Nuclide(hid_t group, const std::vector<double>& temperature, int i_nuclide);
 
   //! Initialize logarithmic grid for energy searches
   void init_grid();
@@ -173,6 +173,7 @@ private:
 // Non-member functions
 //==============================================================================
 
+//! Checks for the right version of nuclear data within HDF5 files
 void check_data_version(hid_t file_id);
 
 //==============================================================================

include/openmc/scattdata.h

@@ -140,8 +140,7 @@ class ScattDataLegendre: public ScattData {
     // Friend convert_legendre_to_tabular so it has access to protected
     // parameters
     friend void
-    convert_legendre_to_tabular(ScattDataLegendre& leg,
-         ScattDataTabular& tab, int n_mu);
+    convert_legendre_to_tabular(ScattDataLegendre& leg, ScattDataTabular& tab);
 
   public:
 
@@ -223,8 +222,7 @@ class ScattDataTabular: public ScattData {
     // Friend convert_legendre_to_tabular so it has access to protected
     // parameters
     friend void
-    convert_legendre_to_tabular(ScattDataLegendre& leg,
-         ScattDataTabular& tab, int n_mu);
+    convert_legendre_to_tabular(ScattDataLegendre& leg, ScattDataTabular& tab);
 
   public:
 

include/openmc/xsdata.h

@@ -24,50 +24,42 @@ class XsData {
   private:
     //! \brief Reads scattering data from the HDF5 file
     void
-    scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang, size_t energy_groups,
-         int scatter_format, int final_scatter_format, int order_data,
-         int max_order, int legendre_to_tabular_points);
+    scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang,
+     int scatter_format, int final_scatter_format, int order_data);
 
     //! \brief Reads fission data from the HDF5 file
     void
-    fission_from_hdf5(hid_t xsdata_grp, size_t n_ang, size_t energy_groups,
-         size_t delayed_groups, bool is_isotropic);
+    fission_from_hdf5(hid_t xsdata_grp, size_t n_ang, bool is_isotropic);
 
     //! \brief Reads fission data formatted as chi and nu-fission vectors from
     //  the HDF5 file when beta is provided.
     void
-    fission_vector_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
-         size_t energy_groups, size_t delayed_groups, bool is_isotropic);
+    fission_vector_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang, bool is_isotropic);
 
     //! \brief Reads fission data formatted as chi and nu-fission vectors from
     //  the HDF5 file when beta is not provided.
     void
-    fission_vector_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
-         size_t energy_groups, size_t delayed_groups);
+    fission_vector_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang);
 
     //! \brief Reads fission data formatted as chi and nu-fission vectors from
     //  the HDF5 file when no delayed data is provided.
     void
-    fission_vector_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang,
-         size_t energy_groups);
+    fission_vector_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang);
 
     //! \brief Reads fission data formatted as a nu-fission matrix from
     //  the HDF5 file when beta is provided.
     void
-    fission_matrix_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
-         size_t energy_groups, size_t delayed_groups, bool is_isotropic);
+    fission_matrix_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang, bool is_isotropic);
 
     //! \brief Reads fission data formatted as a nu-fission matrix from
     //  the HDF5 file when beta is not provided.
     void
-    fission_matrix_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang,
-         size_t energy_groups, size_t delayed_groups);
+    fission_matrix_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang);
 
     //! \brief Reads fission data formatted as a nu-fission matrix from
     //  the HDF5 file when no delayed data is provided.
     void
-    fission_matrix_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang,
-         size_t energy_groups);
+    fission_matrix_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang);
 
   public:
 
@@ -106,8 +98,7 @@ class XsData {
     //! @param scatter_format The scattering representation of the file.
     //! @param n_pol Number of polar angles.
     //! @param n_azi Number of azimuthal angles.
-    XsData(size_t num_groups, size_t num_delayed_groups, bool fissionable,
-           int scatter_format, int n_pol, int n_azi);
+    XsData(bool fissionable, int scatter_format, int n_pol, int n_azi);
 
     //! \brief Loads the XsData object from the HDF5 file
     //!
@@ -118,20 +109,13 @@ class XsData {
     //!   this is different from scatter_format if converting a Legendre to
     //!   a tabular representation.
     //! @param order_data The dimensionality of the scattering data in the file.
-    //! @param max_order Maximum order requested by the user;
-    //!   this is only used for Legendre scattering.
-    //! @param legendre_to_tabular Flag to denote if any Legendre provided
-    //!   should be converted to a Tabular representation.
-    //! @param legendre_to_tabular_points If a conversion is requested, this
-    //!   provides the number of points to use in the tabular representation.
     //! @param is_isotropic Is this an isotropic or angular with respect to
     //!   the incoming particle.
     //! @param n_pol Number of polar angles.
     //! @param n_azi Number of azimuthal angles.
     void
     from_hdf5(hid_t xsdata_grp, bool fissionable, int scatter_format,
-         int final_scatter_format, int order_data, int max_order,
-         int legendre_to_tabular_points, bool is_isotropic, int n_pol,
+         int final_scatter_format, int order_data, bool is_isotropic, int n_pol,
          int n_azi);
 
     //! \brief Combines the microscopic data to a macroscopic object.