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Mgxs may now be used in external linked programs
This commit is contained in:
Gavin Ridley
parent
9c06a128d9
commit
a2bcb07e03
8 changed files with 163 additions and 89 deletions
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@ -26,29 +26,48 @@ 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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MgxsInterface::MgxsInterface(const std::string& path_cross_sections,
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const std::vector<std::string> xs_to_read,
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const std::vector<std::vector<double>> xs_temps)
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{
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init(path_cross_sections);
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readHeader(path_cross_sections);
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setNuclidesToRead(xs_to_read);
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setNuclideTemperaturesToRead(xs_temps);
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init();
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}
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void MgxsInterface::init(const std::string& path_cross_sections)
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// Should these perhaps unnecessary setters be lumped into one?
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void MgxsInterface::setNuclidesToRead(std::vector<std::string> arg_xs_to_read)
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{
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// Check to remove all duplicates
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xs_to_read = arg_xs_to_read;
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}
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void MgxsInterface::setNuclideTemperaturesToRead(std::vector<std::vector<double>> xs_temps)
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{
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xs_temps_to_read = xs_temps;
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if (xs_to_read.size() != xs_temps.size())
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fatal_error("The list of macro XS temperatures to read does not "
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"correspond in length to the number of XS names. ");
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}
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void MgxsInterface::init()
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{
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// Check that at least some data was set to be read
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if (xs_to_read.size() == 0)
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warning("No MGXS nuclides were set to be read.");
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// Check if MGXS Library exists
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if (!file_exists(path_cross_sections)) {
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if (!file_exists(cross_sections_path)) {
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// Could not find MGXS Library file
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fatal_error("Cross sections HDF5 file '" + path_cross_sections +
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fatal_error("Cross sections HDF5 file '" + cross_sections_path +
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"' does not exist.");
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}
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write_message("Loading cross section data...", 5);
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// Get temperatures
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std::vector<std::vector<double>> nuc_temps(data::nuclide_map.size());
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std::vector<std::vector<double>> dummy;
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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(path_cross_sections, 'r');
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hid_t file_id = file_open(cross_sections_path, 'r');
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// Read filetype
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std::string type;
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@ -68,32 +87,12 @@ void MgxsInterface::init(const std::string& path_cross_sections)
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// ==========================================================================
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// READ ALL MGXS CROSS SECTION TABLES
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std::unordered_set<std::string> already_read;
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// Build vector of nuclide names
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std::vector<std::string> nuclide_names(data::nuclide_map.size());
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for (const auto& kv : data::nuclide_map) {
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nuclide_names[kv.second] = kv.first;
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}
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// Loop over all files
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for (const auto& mat : model::materials) {
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for (int i_nuc : mat->nuclide_) {
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std::string& name = nuclide_names[i_nuc];
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if (already_read.find(name) == already_read.end()) {
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add_mgxs(file_id, name, nuc_temps[i_nuc]);
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already_read.insert(name);
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}
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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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}
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for (unsigned i_nuc=0; i_nuc<xs_to_read.size(); ++i_nuc)
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add_mgxs(file_id, xs_to_read[i_nuc], xs_temps_to_read[i_nuc]);
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file_close(file_id);
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create_macro_xs();
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}
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//==============================================================================
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@ -113,7 +112,7 @@ MgxsInterface::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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nuclides_MG.emplace_back(xs_grp, temperature, num_energy_groups,
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nuclides_MG.emplace_back(xsgavin.keith.ridley@gmail.com_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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@ -183,18 +182,21 @@ std::vector<std::vector<double>> MgxsInterface::get_mat_kTs()
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//==============================================================================
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void MgxsInterface::read_mg_cross_sections_header()
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void MgxsInterface::readHeader(const std::string& path_cross_sections)
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{
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// Save name of HDF5 file to be read to struct data
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cross_sections_path = path_cross_sections;
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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(cross_sections_path)) {
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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 '" + cross_sections_path +
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"' does not exist.");
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}
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write_message("Reading cross sections HDF5 file...", 5);
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// Open file for reading
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hid_t file_id = file_open(settings::path_cross_sections, 'r', true);
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hid_t file_id = file_open(cross_sections_path, 'r', true);
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ensure_exists(file_id, "energy_groups", true);
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read_attribute(file_id, "energy_groups", num_energy_groups);
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@ -210,35 +212,84 @@ void MgxsInterface::read_mg_cross_sections_header()
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// Reverse 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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std::back_inserter(energy_bins));
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// Create average energies
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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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for (int i = 0; i < energy_bins.size() - 1; ++i) {
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energy_bin_avg.push_back(0.5*
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(energy_bins[i] + energy_bins[i+1]));
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}
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// Add entries into libraries for MG data
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auto names = group_names(file_id);
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if (names.empty()) {
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xs_names = group_names(file_id);
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if (xs_names.empty()) {
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fatal_error("At least one MGXS data set must be present in mgxs "
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"library file!");
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}
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for (auto& name : names) {
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Library lib {};
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lib.type_ = Library::Type::neutron;
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lib.materials_.push_back(name);
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data::libraries.push_back(lib);
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}
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// Close MGXS HDF5 file
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file_close(file_id);
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}
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void putMgxsHeaderDataToGlobals()
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{
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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::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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// Save available XS names to library list, so that when
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// materials are read, the specified mgxs can be confirmed
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// as present
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for (auto& name : data::mgInterface.xs_names) {
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Library lib {};
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lib.type_ = Library::Type::neutron;
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lib.materials_.push_back(name);
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data::libraries.push_back(lib);
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}
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}
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void setMgInterfaceNuclidesAndTemps()
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{
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// Get temperatures from global data
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std::vector<std::vector<double>> these_nuc_temps(data::nuclide_map.size());
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std::vector<std::vector<double>> dummy;
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get_temperatures(these_nuc_temps, dummy);
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// Build vector of nuclide names which are to be read
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std::vector<std::string> nuclide_names(data::nuclide_map.size());
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for (const auto& kv : data::nuclide_map) {
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nuclide_names[kv.second] = kv.first;
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}
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std::unordered_set<std::string> already_read;
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// Loop over all files
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for (const auto& mat : model::materials) {
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for (int i_nuc : mat->nuclide_) {
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std::string& name = nuclide_names[i_nuc];
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if (already_read.find(name) == already_read.end()) {
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data::mgInterface.xs_to_read.push_back(name);
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data::mgInterface.xs_temps_to_read.push_back(these_nuc_temps[i_nuc]);
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// DBG
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std::cout << these_nuc_temps[i_nuc][0] << std::endl;
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already_read.insert(name);
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}
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}
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}
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}
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void markFissionableMgxsMaterials()
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{
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// Loop over all files
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for (const auto& mat : model::materials) {
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for (int i_nuc : mat->nuclide_) {
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if (data::mgInterface.nuclides_MG[i_nuc].fissionable) {
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mat->fissionable_ = true;
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}
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}
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}
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}
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//==============================================================================
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