//! \file mesh.h //! \brief Mesh types used for tallies, Shannon entropy, CMFD, etc. #ifndef OPENMC_MESH_H #define OPENMC_MESH_H #include #include "hdf5.h" #include "xtensor/xtensor.hpp" #include "pugixml.hpp" #include "openmc/memory.h" // for unique_ptr #include "openmc/particle.h" #include "openmc/position.h" #include "openmc/vector.h" #include "openmc/xml_interface.h" #ifdef DAGMC #include "moab/AdaptiveKDTree.hpp" #include "moab/Core.hpp" #include "moab/GeomUtil.hpp" #include "moab/Matrix3.hpp" #endif #ifdef LIBMESH #include "libmesh/bounding_box.h" #include "libmesh/dof_map.h" #include "libmesh/elem.h" #include "libmesh/equation_systems.h" #include "libmesh/exodusII_io.h" #include "libmesh/explicit_system.h" #include "libmesh/libmesh.h" #include "libmesh/mesh.h" #include "libmesh/point.h" #endif namespace openmc { //============================================================================== // Constants //============================================================================== enum class ElementType { UNSUPPORTED=-1, LINEAR_TET, LINEAR_HEX }; //============================================================================== // Global variables //============================================================================== extern "C" const bool LIBMESH_ENABLED; class Mesh; namespace model { extern std::unordered_map mesh_map; extern vector> meshes; } // namespace model #ifdef LIBMESH namespace settings { // used when creating new libMesh::MeshBase instances extern unique_ptr libmesh_init; extern const libMesh::Parallel::Communicator* libmesh_comm; } // namespace settings #endif class Mesh { public: // Constructors and destructor Mesh() = default; Mesh(pugi::xml_node node); virtual ~Mesh() = default; // Methods //! Determine which bins were crossed by a particle // //! \param[in] r0 Previous position of the particle //! \param[in] r1 Current position of the particle //! \param[in] u Particle direction //! \param[out] bins Bins that were crossed //! \param[out] lengths Fraction of tracklength in each bin virtual void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const = 0; //! Determine which surface bins were crossed by a particle // //! \param[in] r0 Previous position of the particle //! \param[in] r1 Current position of the particle //! \param[in] u Particle direction //! \param[out] bins Surface bins that were crossed virtual void surface_bins_crossed( Position r0, Position r1, const Direction& u, vector& bins) const = 0; //! Get bin at a given position in space // //! \param[in] r Position to get bin for //! \return Mesh bin virtual int get_bin(Position r) const = 0; //! Get the number of mesh cells. virtual int n_bins() const = 0; //! Get the number of mesh cell surfaces. virtual int n_surface_bins() const = 0; //! Set the mesh ID void set_id(int32_t id = -1); //! Write mesh data to an HDF5 group // //! \param[in] group HDF5 group virtual void to_hdf5(hid_t group) const = 0; //! Find the mesh lines that intersect an axis-aligned slice plot // //! \param[in] plot_ll The lower-left coordinates of the slice plot. //! \param[in] plot_ur The upper-right coordinates of the slice plot. //! \return A pair of vectors indicating where the mesh lines lie along each //! of the plot's axes. For example an xy-slice plot will get back a vector //! of x-coordinates and another of y-coordinates. These vectors may be //! empty for low-dimensional meshes. virtual std::pair, vector> plot( Position plot_ll, Position plot_ur) const = 0; //! Return a string representation of the mesh bin // //! \param[in] bin Mesh bin to generate a label for virtual std::string bin_label(int bin) const = 0; //! Return the mesh type virtual std::string get_mesh_type() const = 0; // Data members int id_ {-1}; //!< User-specified ID int n_dimension_; //!< Number of dimensions }; class StructuredMesh : public Mesh { public: StructuredMesh() = default; StructuredMesh(pugi::xml_node node) : Mesh {node} {}; virtual ~StructuredMesh() = default; using MeshIndex = std::array; struct MeshDistance { MeshDistance() = default; MeshDistance(int _index, bool _max_surface, double _distance) : next_index {_index}, max_surface {_max_surface}, distance {_distance} {} int next_index {-1}; bool max_surface {true}; double distance {INFTY}; bool operator<(const MeshDistance& o) const { return distance < o.distance; } }; int get_bin(Position r) const override; int n_bins() const override; int n_surface_bins() const override; void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; void surface_bins_crossed(Position r0, Position r1, const Direction& u, vector& bins) const override; //! Determine which cell or surface bins were crossed by a particle // //! \param[in] r0 Previous position of the particle //! \param[in] r1 Current position of the particle //! \param[in] u Particle direction //! \param[in] tally Functor that eventually stores the tally data template void raytrace_mesh( Position r0, Position r1, const Direction& u, T tally) const; //! Count number of bank sites in each mesh bin / energy bin // //! \param[in] Pointer to bank sites //! \param[in] Number of bank sites //! \param[out] Whether any bank sites are outside the mesh xt::xtensor count_sites( const SourceSite* bank, int64_t length, bool* outside) const; //! Get bin given mesh indices // //! \param[in] Array of mesh indices //! \return Mesh bin virtual int get_bin_from_indices(const MeshIndex& ijk) const; //! Get mesh indices given a position // //! \param[in] r Position to get indices for //! \param[out] in_mesh Whether position is in mesh //! \return Array of mesh indices virtual MeshIndex get_indices(Position r, bool& in_mesh) const; //! Get mesh indices corresponding to a mesh bin // //! \param[in] bin Mesh bin //! \return ijk Mesh indices virtual MeshIndex get_indices_from_bin(int bin) const; //! Get mesh index in a particular direction //! //! \param[in] r Coordinate to get index for //! \param[in] i Direction index virtual int get_index_in_direction(double r, int i) const = 0; //! Get the closest distance from the coordinate r to the grid surface //! in i direction that bounds mesh cell ijk and that is larger than l //! The coordinate r does not have to be inside the mesh cell ijk. In //! curved coordinates, multiple crossings of the same surface can happen, //! these are selected by the parameter l //! //! \param[in] ijk Array of mesh indices //! \param[in] i direction index of grid surface //! \param[in] r0 position, from where to calculate the distance //! \param[in] u direction of flight. actual position is r0 + l * u //! \param[in] l actual chord length //! \return MeshDistance struct with closest distance, next cell index in //! i-direction and min/max surface indicator virtual MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const = 0; //! Get a label for the mesh bin std::string bin_label(int bin) const override; //! Get shape as xt::xtensor xt::xtensor get_x_shape() const; // Data members xt::xtensor lower_left_; //!< Lower-left coordinates of mesh xt::xtensor upper_right_; //!< Upper-right coordinates of mesh std::array shape_; //!< Number of mesh elements in each dimension protected: }; //============================================================================== //! Tessellation of n-dimensional Euclidean space by congruent squares or cubes //============================================================================== class RegularMesh : public StructuredMesh { public: // Constructors RegularMesh() = default; RegularMesh(pugi::xml_node node); // Overridden methods int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; static const std::string mesh_type; MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const override; std::pair, vector> plot( Position plot_ll, Position plot_ur) const override; void to_hdf5(hid_t group) const override; // New methods //! Get the coordinate for the mesh grid boundary in the positive direction //! //! \param[in] ijk Array of mesh indices //! \param[in] i Direction index double positive_grid_boundary(const MeshIndex& ijk, int i) const; //! Get the coordinate for the mesh grid boundary in the negative direction //! //! \param[in] ijk Array of mesh indices //! \param[in] i Direction index double negative_grid_boundary(const MeshIndex& ijk, int i) const; //! Count number of bank sites in each mesh bin / energy bin // //! \param[in] bank Array of bank sites //! \param[out] Whether any bank sites are outside the mesh //! \return Array indicating number of sites in each mesh/energy bin xt::xtensor count_sites( const SourceSite* bank, int64_t length, bool* outside) const; // Data members double volume_frac_; //!< Volume fraction of each mesh element xt::xtensor width_; //!< Width of each mesh element }; class RectilinearMesh : public StructuredMesh { public: // Constructors RectilinearMesh() = default; RectilinearMesh(pugi::xml_node node); // Overridden methods int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; static const std::string mesh_type; MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const override; std::pair, vector> plot( Position plot_ll, Position plot_ur) const override; void to_hdf5(hid_t group) const override; // New methods //! Get the coordinate for the mesh grid boundary in the positive direction //! //! \param[in] ijk Array of mesh indices //! \param[in] i Direction index double positive_grid_boundary(const MeshIndex& ijk, int i) const; //! Get the coordinate for the mesh grid boundary in the negative direction //! //! \param[in] ijk Array of mesh indices //! \param[in] i Direction index double negative_grid_boundary(const MeshIndex& ijk, int i) const; array, 3> grid_; int set_grid(); }; class CylindricalMesh : public StructuredMesh { public: // Constructors CylindricalMesh() = default; CylindricalMesh(pugi::xml_node node); // Overridden methods virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; static const std::string mesh_type; MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const override; std::pair, vector> plot( Position plot_ll, Position plot_ur) const override; void to_hdf5(hid_t group) const override; array, 3> grid_; int set_grid(); private: double find_r_crossing( const Position& r, const Direction& u, double l, int shell) const; double find_phi_crossing( const Position& r, const Direction& u, double l, int shell) const; StructuredMesh::MeshDistance find_z_crossing( const Position& r, const Direction& u, double l, int shell) const; bool full_phi_ {false}; constexpr inline int sanitize_angular_index(int idx, bool full, int N) const { if ((idx > 0) and (idx <= N)) { return idx; } else if (full) { return (idx + N - 1) % N + 1; } else { return 0; } } inline int sanitize_phi(int idx) const { return sanitize_angular_index(idx, full_phi_, shape_[1]); } }; class SphericalMesh : public StructuredMesh { public: // Constructors SphericalMesh() = default; SphericalMesh(pugi::xml_node node); // Overridden methods virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; static const std::string mesh_type; MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const override; std::pair, vector> plot( Position plot_ll, Position plot_ur) const override; void to_hdf5(hid_t group) const override; array, 3> grid_; int set_grid(); private: double find_r_crossing( const Position& r, const Direction& u, double l, int shell) const; double find_theta_crossing( const Position& r, const Direction& u, double l, int shell) const; double find_phi_crossing( const Position& r, const Direction& u, double l, int shell) const; bool full_theta_ {false}; bool full_phi_ {false}; constexpr inline int sanitize_angular_index(int idx, bool full, int N) const { if ((idx > 0) and (idx <= N)) { return idx; } else if (full) { return (idx + N - 1) % N + 1; } else { return 0; } } inline int sanitize_theta(int idx) const { return sanitize_angular_index(idx, full_theta_, shape_[1]); } inline int sanitize_phi(int idx) const { return sanitize_angular_index(idx, full_phi_, shape_[2]); } }; // Abstract class for unstructured meshes class UnstructuredMesh : public Mesh { public: // Constructors UnstructuredMesh() {}; UnstructuredMesh(pugi::xml_node node); UnstructuredMesh(const std::string& filename); static const std::string mesh_type; virtual std::string get_mesh_type() const override; // Overridden Methods void surface_bins_crossed(Position r0, Position r1, const Direction& u, vector& bins) const override; void to_hdf5(hid_t group) const override; std::string bin_label(int bin) const override; // Methods //! Add a variable to the mesh instance virtual void add_score(const std::string& var_name) = 0; //! Remove tally data from the instance virtual void remove_scores() = 0; //! Set the value of a bin for a variable on the internal // mesh instance virtual void set_score_data(const std::string& var_name, const vector& values, const vector& std_dev) = 0; //! Write the unstructured mesh to file // //! \param[in] filename Base of the file to write virtual void write(const std::string& base_filename) const = 0; //! Retrieve a centroid for the mesh cell // //! \param[in] bin Bin to return the centroid for //! \return The centroid of the bin virtual Position centroid(int bin) const = 0; //! Get the number of vertices in the mesh // //! \return Number of vertices virtual int n_vertices() const = 0; //! Retrieve a vertex of the mesh // //! \param[in] vertex ID //! \return vertex coordinates virtual Position vertex(int id) const = 0; //! Retrieve connectivity of a mesh element // //! \param[in] element ID //! \return element connectivity as IDs of the vertices virtual std::vector connectivity(int id) const = 0; //! Get the volume of a mesh bin // //! \param[in] bin Bin to return the volume for //! \return Volume of the bin virtual double volume(int bin) const = 0; //! Get the library used for this unstructured mesh virtual std::string library() const = 0; // Data members bool output_ { true}; //!< Write tallies onto the unstructured mesh at the end of a run std::string filename_; //!< Path to unstructured mesh file protected: //! Set the length multiplier to apply to each point in the mesh void set_length_multiplier(const double length_multiplier); // Data members double length_multiplier_ { 1.0}; //!< Constant multiplication factor to apply to mesh coordinates bool specified_length_multiplier_ {false}; private: //! Setup method for the mesh. Builds data structures, //! sets up element mapping, creates bounding boxes, etc. virtual void initialize() = 0; }; #ifdef DAGMC class MOABMesh : public UnstructuredMesh { public: // Constructors MOABMesh() = default; MOABMesh(pugi::xml_node); MOABMesh(const std::string& filename, double length_multiplier = 1.0); MOABMesh(std::shared_ptr external_mbi); static const std::string mesh_lib_type; // Overridden Methods void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; int get_bin(Position r) const override; int n_bins() const override; int n_surface_bins() const override; std::pair, vector> plot( Position plot_ll, Position plot_ur) const override; std::string library() const override; //! Add a score to the mesh instance void add_score(const std::string& score) override; //! Remove all scores from the mesh instance void remove_scores() override; //! Set data for a score void set_score_data(const std::string& score, const vector& values, const vector& std_dev) override; //! Write the mesh with any current tally data void write(const std::string& base_filename) const override; Position centroid(int bin) const override; int n_vertices() const override; Position vertex(int id) const override; std::vector connectivity(int id) const override; double volume(int bin) const override; private: void initialize() override; // Methods //! Create the MOAB interface pointer void create_interface(); //! Find all intersections with faces of the mesh. // //! \param[in] start Staring location //! \param[in] dir Normalized particle direction //! \param[in] track_len length of particle track //! \param[out] Mesh intersections void intersect_track(const moab::CartVect& start, const moab::CartVect& dir, double track_len, vector& hits) const; //! Calculate the volume for a given tetrahedron handle. // // \param[in] tet MOAB EntityHandle of the tetrahedron double tet_volume(moab::EntityHandle tet) const; //! Find the tetrahedron for the given location if //! one exists // //! \param[in] //! \return MOAB EntityHandle of tet moab::EntityHandle get_tet(const Position& r) const; //! Return the containing tet given a position moab::EntityHandle get_tet(const moab::CartVect& r) const { return get_tet(Position(r[0], r[1], r[2])); }; //! Check for point containment within a tet; uses //! pre-computed barycentric data. // //! \param[in] r Position to check //! \param[in] MOAB terahedron to check //! \return True if r is inside, False if r is outside bool point_in_tet(const moab::CartVect& r, moab::EntityHandle tet) const; //! Compute barycentric coordinate data for all tetrahedra //! in the mesh. // //! \param[in] tets MOAB Range of tetrahedral elements void compute_barycentric_data(const moab::Range& tets); //! Translate a MOAB EntityHandle to its corresponding bin. // //! \param[in] eh MOAB EntityHandle to translate //! \return Mesh bin int get_bin_from_ent_handle(moab::EntityHandle eh) const; //! Translate a bin to its corresponding MOAB EntityHandle //! for the tetrahedron representing that bin. // //! \param[in] bin Bin value to translate //! \return MOAB EntityHandle of tet moab::EntityHandle get_ent_handle_from_bin(int bin) const; //! Get a vertex index into the global range from a handle int get_vert_idx_from_handle(moab::EntityHandle vert) const; //! Get the bin for a given mesh cell index // //! \param[in] idx Index of the mesh cell. //! \return Mesh bin int get_bin_from_index(int idx) const; //! Get the mesh cell index for a given position // //! \param[in] r Position to get index for //! \param[in,out] in_mesh Whether position is in the mesh int get_index(const Position& r, bool* in_mesh) const; //! Get the mesh cell index from a bin // //! \param[in] bin Bin to get the index for //! \return Index of the bin int get_index_from_bin(int bin) const; //! Build a KDTree for all tetrahedra in the mesh. All //! triangles representing 2D faces of the mesh are //! added to the tree as well. // //! \param[in] all_tets MOAB Range of tetrahedra for the tree void build_kdtree(const moab::Range& all_tets); //! Get the tags for a score from the mesh instance //! or create them if they are not there // //! \param[in] score Name of the score //! \return The MOAB value and error tag handles, respectively std::pair get_score_tags(std::string score) const; // Data members moab::Range ehs_; //!< Range of tetrahedra EntityHandle's in the mesh moab::Range verts_; //!< Range of vertex EntityHandle's in the mesh moab::EntityHandle tetset_; //!< EntitySet containing all tetrahedra moab::EntityHandle kdtree_root_; //!< Root of the MOAB KDTree std::shared_ptr mbi_; //!< MOAB instance unique_ptr kdtree_; //!< MOAB KDTree instance vector baryc_data_; //!< Barycentric data for tetrahedra vector tag_names_; //!< Names of score tags added to the mesh }; #endif #ifdef LIBMESH class LibMesh : public UnstructuredMesh { public: // Constructors LibMesh(pugi::xml_node node); LibMesh(const std::string & filename, double length_multiplier = 1.0); LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier = 1.0); static const std::string mesh_lib_type; // Overridden Methods void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; int get_bin(Position r) const override; int n_bins() const override; int n_surface_bins() const override; std::pair, vector> plot( Position plot_ll, Position plot_ur) const override; std::string library() const override; void add_score(const std::string& var_name) override; void remove_scores() override; void set_score_data(const std::string& var_name, const vector& values, const vector& std_dev) override; void write(const std::string& base_filename) const override; Position centroid(int bin) const override; int n_vertices() const override; Position vertex(int id) const override; std::vector connectivity(int id) const override; double volume(int bin) const override; libMesh::MeshBase* mesh_ptr() const { return m_; }; private: void initialize() override; void set_mesh_pointer_from_filename(const std::string& filename); // Methods //! Translate a bin value to an element reference const libMesh::Elem& get_element_from_bin(int bin) const; //! Translate an element pointer to a bin index int get_bin_from_element(const libMesh::Elem* elem) const; // Data members unique_ptr unique_m_ = nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set during intialization vector> pl_; //!< per-thread point locators unique_ptr equation_systems_; //!< pointer to the equation systems of the mesh std::string eq_system_name_; //!< name of the equation system holding OpenMC results std::unordered_map variable_map_; //!< mapping of variable names (tally scores) to libMesh //!< variable numbers libMesh::BoundingBox bbox_; //!< bounding box of the mesh libMesh::dof_id_type first_element_id_; //!< id of the first element in the mesh }; #endif //============================================================================== // Non-member functions //============================================================================== //! Read meshes from either settings/tallies // //! \param[in] root XML node void read_meshes(pugi::xml_node root); //! Write mesh data to an HDF5 group // //! \param[in] group HDF5 group void meshes_to_hdf5(hid_t group); void free_memory_mesh(); } // namespace openmc #endif // OPENMC_MESH_H