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https://github.com/openmc-dev/openmc.git
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Refactoring all of the openmc namespace functions into the DAGUniverse class.
This commit is contained in:
Patrick Shriwise
parent
4819e02f22
commit
da6a369d1f
2 changed files with 76 additions and 67 deletions
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@ -26,12 +26,23 @@ public:
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void initialize(); //!< Sets up the DAGMC instance and OpenMC internals
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std::shared_ptr<UWUW>
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read_uwuw_materials(); //!< Reads UWUW materials and returns an ID map
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void read_uwuw_materials(); //!< Reads UWUW materials and returns an ID map
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bool uses_uwuw() const;
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std::string get_uwuw_materials_xml() const;
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void write_uwuw_materials_xml(const std::string& outfile = "uwuw_materials.xml") const;
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void legacy_assign_material(std::string mat_string,
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std::unique_ptr<DAGCell>& c) const;
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std::string dagmc_ids_for_dim(int dim) const;
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// Data Members
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std::string filename_;
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std::shared_ptr<moab::DagMC> dagmc_instance_; //! DAGMC Instance for this universe
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std::shared_ptr<UWUW> uwuw_;
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int32_t cell_idx_offset_;
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int32_t surf_idx_offset_;
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bool adjust_geometry_ids_;
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128
src/dagmc.cpp
128
src/dagmc.cpp
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@ -47,14 +47,14 @@ std::string dagmc_file() {
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return filename;
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}
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std::string dagmc_ids_for_dim(std::shared_ptr<moab::DagMC>& dagmc_instance,
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int dim)
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std::string
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DAGUniverse::dagmc_ids_for_dim(int dim) const
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{
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// generate a vector of ids
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std::vector<int> id_vec;
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int n_cells = dagmc_instance->num_entities(dim);
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int n_cells = dagmc_instance_->num_entities(dim);
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for (int i = 1; i <= n_cells; i++) {
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id_vec.push_back(dagmc_instance->id_by_index(dim, i));
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id_vec.push_back(dagmc_instance_->id_by_index(dim, i));
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}
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// sort the vector of ids
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@ -88,55 +88,50 @@ std::string dagmc_ids_for_dim(std::shared_ptr<moab::DagMC>& dagmc_instance,
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return out.str();
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}
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bool get_uwuw_materials_xml(std::string& s) {
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std::string filename = dagmc_file();
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UWUW uwuw(filename.c_str());
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bool
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DAGUniverse::uses_uwuw() const
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{
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return uwuw_ && !uwuw_->material_library.empty();
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}
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std::string
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DAGUniverse::get_uwuw_materials_xml() const
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{
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if (!uses_uwuw()) {
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throw std::runtime_error("This DAGMC Universe does not use UWUW materials");
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}
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std::stringstream ss;
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bool uwuw_mats_present = false;
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if (uwuw.material_library.size() != 0) {
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uwuw_mats_present = true;
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// write header
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ss << "<?xml version=\"1.0\"?>\n";
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ss << "<materials>\n";
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const auto& mat_lib = uwuw.material_library;
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// write materials
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for (auto mat : mat_lib) { ss << mat.second->openmc("atom"); }
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// write footer
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ss << "</materials>";
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s = ss.str();
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}
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// write header
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ss << "<?xml version=\"1.0\"?>\n";
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ss << "<materials>\n";
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const auto& mat_lib = uwuw_->material_library;
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// write materials
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for (auto mat : mat_lib) { ss << mat.second->openmc("atom"); }
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// write footer
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ss << "</materials>";
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return uwuw_mats_present;
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return ss.str();
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}
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bool read_uwuw_materials(pugi::xml_document& doc) {
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std::string s;
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bool found_uwuw_mats = get_uwuw_materials_xml(s);
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if (found_uwuw_mats) {
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pugi::xml_parse_result result = doc.load_string(s.c_str());
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if (!result) {
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throw std::runtime_error{"Error reading UWUW materials"};
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}
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}
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return found_uwuw_mats;
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}
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bool write_uwuw_materials_xml() {
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std::string s;
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bool found_uwuw_mats = get_uwuw_materials_xml(s);
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// if there is a material library in the file
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if (found_uwuw_mats) {
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// write a material.xml file
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std::ofstream mats_xml("materials.xml");
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mats_xml << s;
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mats_xml.close();
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void
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DAGUniverse::write_uwuw_materials_xml(const std::string& outfile) const
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{
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if (!uses_uwuw()) {
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throw std::runtime_error("This DAGMC universe does not use UWUW materials.");
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}
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return found_uwuw_mats;
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std::string xml_str = get_uwuw_materials_xml();
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// if there is a material library in the file
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std::ofstream mats_xml(outfile);
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mats_xml << xml_str;
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mats_xml.close();
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}
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void legacy_assign_material(std::string mat_string, DAGCell* c)
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void
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DAGUniverse::legacy_assign_material(std::string mat_string,
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std::unique_ptr<DAGCell>& c) const
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{
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bool mat_found_by_name = false;
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// attempt to find a material with a matching name
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@ -152,7 +147,7 @@ void legacy_assign_material(std::string mat_string, DAGCell* c)
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// report error if more than one material is found
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} else {
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fatal_error(fmt::format(
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"More than one material found with name {}. Please ensure materials "
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"More than one material found with name '{}'. Please ensure materials "
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"have unique names if using this property to assign materials.",
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mat_string));
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}
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@ -166,7 +161,7 @@ void legacy_assign_material(std::string mat_string, DAGCell* c)
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c->material_.emplace_back(id);
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} catch (const std::invalid_argument&) {
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fatal_error(fmt::format(
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"No material {} found for volume (cell) {}", mat_string, c->id_));
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"No material '{}' found for volume (cell) {}", mat_string, c->id_));
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}
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}
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@ -256,10 +251,10 @@ void DAGUniverse::initialize() {
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// --- Materials ---
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// read any UWUW materials from the file
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std::shared_ptr<UWUW> uwuw = read_uwuw_materials();
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read_uwuw_materials();
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// check for uwuw material definitions
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bool using_uwuw = !uwuw->material_library.empty();
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bool using_uwuw = uses_uwuw();
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// notify user if UWUW materials are going to be used
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if (using_uwuw) {
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@ -293,7 +288,7 @@ void DAGUniverse::initialize() {
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moab::EntityHandle vol_handle = dagmc_instance_->entity_by_index(3, i + 1);
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// set cell ids using global IDs
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DAGCell* c = new DAGCell();
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auto c = std::make_unique<DAGCell>();
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c->dag_index_ = i + 1;
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c->id_ = adjust_geometry_ids_ ? next_cell_id++ : dagmc_instance_->id_by_index(3, c->dag_index_);
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c->dagmc_ptr_ = dagmc_instance_;
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@ -304,13 +299,11 @@ void DAGUniverse::initialize() {
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if (in_map == model::cell_map.end()) {
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model::cell_map[c->id_] = model::cells.size();
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} else {
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warning(fmt::format("DAGMC Cell IDs: {}", dagmc_ids_for_dim(dagmc_instance_, 3)));
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warning(fmt::format("DAGMC Cell IDs: {}", dagmc_ids_for_dim(3)));
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fatal_error(fmt::format("Cell ID {} exists in both DAGMC Universe {} "
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"and the CSG geometry.", c->id_, this->id_));
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}
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model::cells.emplace_back(c);
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// MATERIALS
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// determine volume material assignment
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@ -333,12 +326,12 @@ void DAGUniverse::initialize() {
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if (using_uwuw) {
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// lookup material in uwuw if present
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std::string uwuw_mat = DMD.volume_material_property_data_eh[vol_handle];
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if (uwuw->material_library.count(uwuw_mat) != 0) {
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if (uwuw_->material_library.count(uwuw_mat) != 0) {
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// Note: material numbers are set by UWUW
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int mat_number = uwuw->material_library.get_material(uwuw_mat).metadata["mat_number"].asInt();
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int mat_number = uwuw_->material_library.get_material(uwuw_mat).metadata["mat_number"].asInt();
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c->material_.push_back(mat_number);
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} else {
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fatal_error(fmt::format("Material with value {} not found in the "
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fatal_error(fmt::format("Material with value '{}' not found in the "
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"UWUW material library", mat_str));
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}
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} else {
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@ -350,7 +343,10 @@ void DAGUniverse::initialize() {
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std::string temp_value;
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// no temperature if void
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if (c->material_[0] == MATERIAL_VOID) continue;
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if (c->material_[0] == MATERIAL_VOID) {
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model::cells.emplace_back(std::move(c));
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continue;
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}
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// assign cell temperature
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const auto& mat = model::materials[model::material_map.at(c->material_[0])];
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@ -364,6 +360,8 @@ void DAGUniverse::initialize() {
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} else {
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c->sqrtkT_.push_back(std::sqrt(K_BOLTZMANN * settings::temperature_default));
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}
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model::cells.emplace_back(std::move(c));
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}
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// allocate the cell overlap count if necessary
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@ -384,7 +382,7 @@ void DAGUniverse::initialize() {
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moab::EntityHandle surf_handle = dagmc_instance_->entity_by_index(2, i+1);
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// set cell ids using global IDs
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DAGSurface* s = new DAGSurface();
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auto s = std::make_unique<DAGSurface>();
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s->dag_index_ = i+1;
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s->id_ = adjust_geometry_ids_ ? next_surf_id++ : dagmc_instance_->id_by_index(2, i+1);
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s->dagmc_ptr_ = dagmc_instance_;
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@ -422,16 +420,17 @@ void DAGUniverse::initialize() {
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if (in_map == model::surface_map.end()) {
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model::surface_map[s->id_] = model::surfaces.size();
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} else {
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warning(fmt::format("DAGMC Surface IDs: {}", dagmc_ids_for_dim(dagmc_instance_, 2)));
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warning(fmt::format("DAGMC Surface IDs: {}", dagmc_ids_for_dim(2)));
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fatal_error(fmt::format("Surface ID {} exists in both Universe {} "
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"and the CSG geometry.", s->id_, this->id_));
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}
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model::surfaces.emplace_back(s);
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model::surfaces.emplace_back(std::move(s));
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} // end surface loop
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}
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std::shared_ptr<UWUW>
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void
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DAGUniverse::read_uwuw_materials() {
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int32_t next_material_id = 0;
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@ -440,13 +439,13 @@ DAGUniverse::read_uwuw_materials() {
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}
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next_material_id++;
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auto uwuw = std::make_shared<UWUW>(filename_.c_str());
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const auto& mat_lib = uwuw->material_library;
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if (mat_lib.size() == 0) return uwuw;
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uwuw_ = std::make_shared<UWUW>(filename_.c_str());
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const auto& mat_lib = uwuw_->material_library;
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if (mat_lib.size() == 0) return;
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// if we're using automatic IDs, update the UWUW material metadata
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if (adjust_material_ids_) {
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for (auto& mat : uwuw->material_library) {
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for (auto& mat : uwuw_->material_library) {
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mat.second->metadata["mat_number"] = std::to_string(next_material_id++);
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}
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}
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@ -468,7 +467,6 @@ DAGUniverse::read_uwuw_materials() {
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for (pugi::xml_node material_node : root.children("material")) {
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model::materials.push_back(std::make_unique<Material>(material_node));
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}
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return uwuw;
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}
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}
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