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https://github.com/openmc-dev/openmc.git
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initial stab at making mgxs externally usable
This commit is contained in:
Gavin Ridley
parent
b60ee3b67c
commit
9c06a128d9
17 changed files with 135 additions and 134 deletions
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@ -18,30 +18,25 @@
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namespace openmc {
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//==============================================================================
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// Global variable definitions
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//==============================================================================
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namespace data {
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int num_energy_groups;
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int num_delayed_groups;
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std::vector<double> energy_bins;
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std::vector<double> energy_bin_avg;
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std::vector<double> rev_energy_bins;
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} // namesapce data
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//==============================================================================
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// Mgxs data loading interface methods
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//==============================================================================
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void read_mgxs()
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namespace data {
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MgxsInterface mgInterface;
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}
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MgxsInterface::MgxsInterface(const std::string& path_cross_sections)
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{
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init(path_cross_sections);
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}
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void MgxsInterface::init(const std::string& path_cross_sections)
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{
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// Check if MGXS Library exists
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if (!file_exists(settings::path_cross_sections)) {
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if (!file_exists(path_cross_sections)) {
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// Could not find MGXS Library file
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fatal_error("Cross sections HDF5 file '" + settings::path_cross_sections +
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fatal_error("Cross sections HDF5 file '" + path_cross_sections +
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"' does not exist.");
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}
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@ -53,7 +48,7 @@ void read_mgxs()
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get_temperatures(nuc_temps, dummy);
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// Open file for reading
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hid_t file_id = file_open(settings::path_cross_sections, 'r');
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hid_t file_id = file_open(path_cross_sections, 'r');
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// Read filetype
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std::string type;
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@ -92,7 +87,7 @@ void read_mgxs()
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already_read.insert(name);
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}
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if (data::nuclides_MG[i_nuc].fissionable) {
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if (nuclides_MG[i_nuc].fissionable) {
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mat->fissionable_ = true;
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}
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}
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@ -104,7 +99,7 @@ void read_mgxs()
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//==============================================================================
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void
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add_mgxs(hid_t file_id, const std::string& name,
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MgxsInterface::add_mgxs(hid_t file_id, const std::string& name,
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const std::vector<double>& temperature)
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{
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write_message("Loading " + std::string(name) + " data...", 6);
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@ -118,13 +113,14 @@ add_mgxs(hid_t file_id, const std::string& name,
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+ "provided MGXS Library");
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}
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data::nuclides_MG.emplace_back(xs_grp, temperature);
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nuclides_MG.emplace_back(xs_grp, temperature, num_energy_groups,
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num_delayed_groups);
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close_group(xs_grp);
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}
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//==============================================================================
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void create_macro_xs()
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void MgxsInterface::create_macro_xs()
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{
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// Get temperatures to read for each material
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auto kTs = get_mat_kTs();
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@ -144,20 +140,21 @@ void create_macro_xs()
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// material
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std::vector<Mgxs*> mgxs_ptr;
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for (int i_nuclide : mat->nuclide_) {
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mgxs_ptr.push_back(&data::nuclides_MG[i_nuclide]);
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mgxs_ptr.push_back(&nuclides_MG[i_nuclide]);
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}
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data::macro_xs.emplace_back(mat->name_, kTs[i], mgxs_ptr, atom_densities);
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macro_xs.emplace_back(mat->name_, kTs[i], mgxs_ptr, atom_densities,
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num_energy_groups, num_delayed_groups);
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} else {
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// Preserve the ordering of materials by including a blank entry
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data::macro_xs.emplace_back();
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macro_xs.emplace_back();
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}
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}
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}
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//==============================================================================
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std::vector<std::vector<double>> get_mat_kTs()
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std::vector<std::vector<double>> MgxsInterface::get_mat_kTs()
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{
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std::vector<std::vector<double>> kTs(model::materials.size());
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@ -186,7 +183,7 @@ std::vector<std::vector<double>> get_mat_kTs()
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//==============================================================================
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void read_mg_cross_sections_header()
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void MgxsInterface::read_mg_cross_sections_header()
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{
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// Check if MGXS Library exists
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if (!file_exists(settings::path_cross_sections)) {
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@ -200,24 +197,25 @@ void read_mg_cross_sections_header()
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hid_t file_id = file_open(settings::path_cross_sections, 'r', true);
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ensure_exists(file_id, "energy_groups", true);
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read_attribute(file_id, "energy_groups", data::num_energy_groups);
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read_attribute(file_id, "energy_groups", num_energy_groups);
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if (attribute_exists(file_id, "delayed_groups")) {
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read_attribute(file_id, "delayed_groups", data::num_delayed_groups);
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read_attribute(file_id, "delayed_groups", num_delayed_groups);
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} else {
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data::num_delayed_groups = 0;
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num_delayed_groups = 0;
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}
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ensure_exists(file_id, "group structure", true);
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read_attribute(file_id, "group structure", data::rev_energy_bins);
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read_attribute(file_id, "group structure", rev_energy_bins);
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// Reverse energy bins
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std::copy(data::rev_energy_bins.crbegin(), data::rev_energy_bins.crend(),
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std::back_inserter(data::energy_bins));
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std::copy(rev_energy_bins.crbegin(), rev_energy_bins.crend(),
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std::back_inserter(data::mgInterface.energy_bins));
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// Create average energies
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for (int i = 0; i < data::energy_bins.size() - 1; ++i) {
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data::energy_bin_avg.push_back(0.5*(data::energy_bins[i] + data::energy_bins[i+1]));
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for (int i = 0; i < data::mgInterface.energy_bins.size() - 1; ++i) {
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data::mgInterface.energy_bin_avg.push_back(0.5*
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(data::mgInterface.energy_bins[i] + data::mgInterface.energy_bins[i+1]));
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}
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// Add entries into libraries for MG data
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@ -236,8 +234,8 @@ void read_mg_cross_sections_header()
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// Get the minimum and maximum energies
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int neutron = static_cast<int>(Particle::Type::neutron);
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data::energy_min[neutron] = data::energy_bins.back();
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data::energy_max[neutron] = data::energy_bins.front();
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data::energy_min[neutron] = data::mgInterface.energy_bins.back();
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data::energy_max[neutron] = data::mgInterface.energy_bins.front();
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// Close MGXS HDF5 file
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file_close(file_id);
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@ -251,7 +249,7 @@ void
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calculate_xs_c(int i_mat, int gin, double sqrtkT, Direction u,
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double& total_xs, double& abs_xs, double& nu_fiss_xs)
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{
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data::macro_xs[i_mat].calculate_xs(gin - 1, sqrtkT, u, total_xs, abs_xs,
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data::mgInterface.macro_xs[i_mat].calculate_xs(gin - 1, sqrtkT, u, total_xs, abs_xs,
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nu_fiss_xs);
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}
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@ -269,7 +267,7 @@ get_nuclide_xs(int index, int xstype, int gin, const int* gout,
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} else {
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gout_c_p = gout;
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}
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return data::nuclides_MG[index].get_xs(xstype, gin - 1, gout_c_p, mu, dg);
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return data::mgInterface.nuclides_MG[index].get_xs(xstype, gin - 1, gout_c_p, mu, dg);
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}
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//==============================================================================
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@ -286,7 +284,7 @@ get_macro_xs(int index, int xstype, int gin, const int* gout,
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} else {
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gout_c_p = gout;
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}
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return data::macro_xs[index].get_xs(xstype, gin - 1, gout_c_p, mu, dg);
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return data::mgInterface.macro_xs[index].get_xs(xstype, gin - 1, gout_c_p, mu, dg);
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}
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//==============================================================================
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@ -301,7 +299,7 @@ get_name_c(int index, int name_len, char* name)
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std::strcpy(name, str.c_str());
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// Now get the data and copy to the C-string
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str = data::nuclides_MG[index - 1].name;
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str = data::mgInterface.nuclides_MG[index - 1].name;
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std::strcpy(name, str.c_str());
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// Finally, remove the null terminator
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@ -313,7 +311,7 @@ get_name_c(int index, int name_len, char* name)
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double
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get_awr_c(int index)
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{
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return data::nuclides_MG[index - 1].awr;
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return data::mgInterface.nuclides_MG[index - 1].awr;
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}
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} // namespace openmc
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