#include "openmc/cross_sections.h"

#include "openmc/capi.h"

#include "openmc/constants.h"

#include "openmc/container_util.h"

#include "openmc/error.h"

#include "openmc/file_utils.h"

#include "openmc/geometry_aux.h"

#include "openmc/hdf5_interface.h"

#include "openmc/material.h"

#include "openmc/message_passing.h"

#include "openmc/mgxs_interface.h"

#include "openmc/nuclide.h"

#include "openmc/photon.h"

#include "openmc/settings.h"

#include "openmc/simulation.h"

#include "openmc/string_utils.h"

#include "openmc/thermal.h"

#include "openmc/timer.h"

#include "openmc/wmp.h"

#include "openmc/xml_interface.h"

#include "pugixml.hpp"

#include <cstdlib> // for getenv

#include <filesystem>

#include <unordered_set>

namespace openmc {

//==============================================================================

// Global variable declarations

//==============================================================================

namespace data {

std::map<LibraryKey, std::size_t> library_map;

vector<Library> libraries;

} // namespace data

//==============================================================================

// Library methods

//==============================================================================

Library::Library(pugi::xml_node node, const std::string& directory)

{

// Get type of library

if (check_for_node(node, "type")) {

auto type = get_node_value(node, "type");

if (type == "neutron") {

type_ = Type::neutron;

} else if (type == "thermal") {

type_ = Type::thermal;

} else if (type == "photon") {

type_ = Type::photon;

} else if (type == "wmp") {

type_ = Type::wmp;

} else {

fatal_error("Unrecognized library type: " + type);

}

} else {

fatal_error("Missing library type");

}

// Get list of materials

if (check_for_node(node, "materials")) {

materials_ = get_node_array<std::string>(node, "materials");

}

// determine path of cross section table

if (!check_for_node(node, "path")) {

fatal_error("Missing library path");

}

std::string path = get_node_value(node, "path");

if (starts_with(path, "/")) {

path_ = path;

} else if (ends_with(directory, "/")) {

path_ = directory + path;

} else if (!directory.empty()) {

path_ = directory + "/" + path;

} else {

path_ = path;

}

if (!file_exists(path_)) {

warning("Cross section library " + path_ + " does not exist.");

}

}

//==============================================================================

// Non-member functions

//==============================================================================

void read_cross_sections_xml()

{

pugi::xml_document doc;

std::string filename = settings::path_input + "materials.xml";

// Check if materials.xml exists

if (!file_exists(filename)) {

fatal_error("Material XML file '" + filename + "' does not exist.");

}

// Parse materials.xml file

doc.load_file(filename.c_str());

auto root = doc.document_element();

read_cross_sections_xml(root);

}

void read_cross_sections_xml(pugi::xml_node root)

{

// Find cross_sections.xml file -- the first place to look is the

// materials.xml file. If no file is found there, then we check the

// OPENMC_CROSS_SECTIONS environment variable

if (!check_for_node(root, "cross_sections")) {

// No cross_sections.xml file specified in settings.xml, check

// environment variable

if (settings::run_CE) {

char* envvar = std::getenv("OPENMC_CROSS_SECTIONS");

if (!envvar) {

fatal_error(

"No cross_sections.xml file was specified in "

"materials.xml or in the OPENMC_CROSS_SECTIONS"

" environment variable. OpenMC needs such a file to identify "

"where to find data libraries. Please consult the"

" user's guide at https://docs.openmc.org/ for "

"information on how to set up data libraries.");

}

settings::path_cross_sections = envvar;

} else {

char* envvar = std::getenv("OPENMC_MG_CROSS_SECTIONS");

if (!envvar) {

fatal_error(

"No mgxs.h5 file was specified in "

"materials.xml or in the OPENMC_MG_CROSS_SECTIONS environment "

"variable. OpenMC needs such a file to identify where to "

"find MG cross section libraries. Please consult the user's "

"guide at https://docs.openmc.org for information on "

"how to set up MG cross section libraries.");

}

settings::path_cross_sections = envvar;

}

} else {

settings::path_cross_sections = get_node_value(root, "cross_sections");

// If no '/' found, the file is probably in the input directory

auto pos = settings::path_cross_sections.rfind("/");

if (pos == std::string::npos && !settings::path_input.empty()) {

settings::path_cross_sections =

settings::path_input + "/" + settings::path_cross_sections;

}

}

// Now that the cross_sections.xml or mgxs.h5 has been located, read it in

if (settings::run_CE) {

read_ce_cross_sections_xml();

} else {

data::mg.read_header(settings::path_cross_sections);

put_mgxs_header_data_to_globals();

}

// Establish mapping between (type, material) and index in libraries

int i = 0;

for (const auto& lib : data::libraries) {

for (const auto& name : lib.materials_) {

LibraryKey key {lib.type_, name};

data::library_map.insert({key, i});

}

++i;

}

// Check that 0K nuclides are listed in the cross_sections.xml file

for (const auto& name : settings::res_scat_nuclides) {

LibraryKey key {Library::Type::neutron, name};

if (data::library_map.find(key) == data::library_map.end()) {

fatal_error("Could not find resonant scatterer " + name +

" in cross_sections.xml file!");

}

}

}

void read_ce_cross_sections(const vector<vector<double>>& nuc_temps,

const vector<vector<double>>& thermal_temps)

{

std::unordered_set<std::string> already_read;

// Construct a vector of nuclide names because we haven't loaded nuclide data

// yet, but we need to know the name of the i-th nuclide

vector<std::string> nuclide_names(data::nuclide_map.size());

vector<std::string> thermal_names(data::thermal_scatt_map.size());

for (const auto& kv : data::nuclide_map) {

nuclide_names[kv.second] = kv.first;

}

for (const auto& kv : data::thermal_scatt_map) {

thermal_names[kv.second] = kv.first;

}

// Read cross sections

for (const auto& mat : model::materials) {

for (int i_nuc : mat->nuclide_) {

// Find name of corresponding nuclide. Because we haven't actually loaded

// data, we don't have the name available, so instead we search through

// all key/value pairs in nuclide_map

std::string& name = nuclide_names[i_nuc];

// If we've already read this nuclide, skip it

if (already_read.find(name) != already_read.end())

continue;

const auto& temps = nuc_temps[i_nuc];

int err = openmc_load_nuclide(name.c_str(), temps.data(), temps.size());

if (err < 0)

throw std::runtime_error {openmc_err_msg};

already_read.insert(name);

}

}

// Perform final tasks -- reading S(a,b) tables, normalizing densities

for (auto& mat : model::materials) {

for (const auto& table : mat->thermal_tables_) {

// Get name of S(a,b) table

int i_table = table.index_table;

std::string& name = thermal_names[i_table];

if (already_read.find(name) == already_read.end()) {

LibraryKey key {Library::Type::thermal, name};

int idx = data::library_map[key];

std::string& filename = data::libraries[idx].path_;

write_message(6, "Reading {} from {}", name, filename);

// Open file and make sure version matches

hid_t file_id = file_open(filename, 'r');

check_data_version(file_id);

// Read thermal scattering data from HDF5

hid_t group = open_group(file_id, name.c_str());

data::thermal_scatt.push_back(

make_unique<ThermalScattering>(group, thermal_temps[i_table]));

close_group(group);

file_close(file_id);

// Add name to dictionary

already_read.insert(name);

}

} // thermal_tables_

// Finish setting up materials (normalizing densities, etc.)

mat->finalize();

} // materials

if (settings::photon_transport &&

settings::electron_treatment == ElectronTreatment::TTB) {

// Take logarithm of energies since they are log-log interpolated

data::ttb_e_grid = tensor::log(data::ttb_e_grid);

}

// Show minimum/maximum temperature

write_message(

4, "Minimum neutron data temperature: {} K", data::temperature_min);

write_message(

4, "Maximum neutron data temperature: {} K", data::temperature_max);

// If the user wants multipole, make sure we found a multipole library.

if (settings::temperature_multipole) {

bool mp_found = false;

for (const auto& nuc : data::nuclides) {

if (nuc->multipole_) {

mp_found = true;

break;

}

}

if (mpi::master && !mp_found) {

warning("Windowed multipole functionality is turned on, but no multipole "

"libraries were found. Make sure that windowed multipole data is "

"present in your cross_sections.xml file.");

}

}

}

void read_ce_cross_sections_xml()

{

// Check if cross_sections.xml exists

std::filesystem::path filename(settings::path_cross_sections);

if (!std::filesystem::exists(filename)) {

fatal_error(

"Cross sections XML file '" + filename.string() + "' does not exist.");

}

if (std::filesystem::is_directory(filename)) {

fatal_error("OPENMC_CROSS_SECTIONS is set to a directory. "

"It should be set to an XML file.");

}

write_message("Reading cross sections XML file...", 5);

// Parse cross_sections.xml file

pugi::xml_document doc;

auto result = doc.load_file(filename.c_str());

if (!result) {

fatal_error("Error processing cross_sections.xml file.");

}

auto root = doc.document_element();

std::string directory;

if (check_for_node(root, "directory")) {

// Copy directory information if present

directory = get_node_value(root, "directory");

} else {

// If no directory is listed in cross_sections.xml, by default select the

// directory in which the cross_sections.xml file resides

if (filename.has_parent_path()) {

directory = filename.parent_path().string();

} else {

directory = settings::path_input;

}

}

for (const auto& node_library : root.children("library")) {

data::libraries.emplace_back(node_library, directory);

}

// Make sure file was not empty

if (data::libraries.empty()) {

fatal_error(

"No cross section libraries present in cross_sections.xml file.");

}

}

void finalize_cross_sections()

{

if (settings::run_mode != RunMode::PLOTTING) {

simulation::time_read_xs.start();

if (settings::run_CE) {

// Determine desired temperatures for each nuclide and S(a,b) table

double_2dvec nuc_temps(data::nuclide_map.size());

double_2dvec thermal_temps(data::thermal_scatt_map.size());

get_temperatures(nuc_temps, thermal_temps);

// Read continuous-energy cross sections from HDF5

read_ce_cross_sections(nuc_temps, thermal_temps);

} else {

// Create material macroscopic data for MGXS

set_mg_interface_nuclides_and_temps();

data::mg.init();

mark_fissionable_mgxs_materials();

}

simulation::time_read_xs.stop();

}

}

void library_clear()

{

data::libraries.clear();

data::library_map.clear();

}

} // namespace openmc