Convert most of read_settings_xml to C++

This commit is contained in:
Paul Romano 2018-08-24 15:47:47 -05:00
parent 93f36b574d
commit f20496c906
8 changed files with 610 additions and 600 deletions

View file

@ -1,11 +1,19 @@
#include "openmc/settings.h"
#include <limits> // for numeric_limits
#include <sstream>
#include <string>
#include <omp.h>
#include "openmc/capi.h"
#include "openmc/constants.h"
#include "openmc/distribution.h"
#include "openmc/distribution_multi.h"
#include "openmc/distribution_spatial.h"
#include "openmc/error.h"
#include "openmc/file_utils.h"
#include "openmc/random_lcg.h"
#include "openmc/source.h"
#include "openmc/string_utils.h"
#include "openmc/xml_interface.h"
@ -46,33 +54,33 @@ bool urr_ptables_on {true};
bool write_all_tracks {false};
bool write_initial_source {false};
char* path_input;
char* path_statepoint;
char* path_sourcepoint;
char* path_particle_restart;
std::string path_cross_sections;
std::string path_input;
std::string path_multipole;
std::string path_output;
std::string path_particle_restart;
std::string path_source;
std::string path_sourcepoint;
std::string path_statepoint;
int32_t index_entropy_mesh {-1};
int32_t index_ufs_mesh {-1};
int32_t n_batches;
int32_t n_inactive;
int32_t n_inactive {0};
int32_t gen_per_batch {1};
int64_t n_particles {0};
int64_t n_particles {-1};
int electron_treatment {ELECTRON_TTB};
double energy_cutoff[4] {0.0, 1000.0, 0.0, 0.0};
int legendre_to_tabular_points {C_NONE};
int max_order;
int n_log_bins;
int max_order {0};
int n_log_bins {8000};
int n_max_batches;
int res_scat_method {RES_SCAT_ARES};
double res_scat_energy_min {0.01};
double res_scat_energy_max {1000.0};
int run_mode;
int run_mode {-1};
int temperature_method {TEMPERATURE_NEAREST};
double temperature_tolerance {10.0};
double temperature_default {293.6};
@ -85,87 +93,316 @@ int verbosity {7};
double weight_cutoff {0.25};
double weight_survive {1.0};
// TODO: Move to separate file
struct KTrigger {
int type;
double threshold;
};
extern "C" KTrigger keff_trigger;
} // namespace settings
//==============================================================================
// Functions
//==============================================================================
void read_settings(pugi::xml_node* root)
void get_run_parameters(pugi::xml_node node_base)
{
using namespace settings;
using namespace pugi;
// Check number of particles
if (!check_for_node(node_base, "particles")) {
fatal_error("Need to specify number of particles.");
}
// Get number of particles if it wasn't specified as a command-line argument
if (n_particles == -1) {
n_particles = std::stoll(get_node_value(node_base, "particles"));
}
// Get number of basic batches
if (check_for_node(node_base, "batches")) {
n_batches = std::stoi(get_node_value(node_base, "batches"));
}
if (!trigger_on) n_max_batches = n_batches;
// Get number of inactive batches
if (run_mode == RUN_MODE_EIGENVALUE) {
if (check_for_node(node_base, "inactive")) {
n_inactive = std::stoi(get_node_value(node_base, "inactive"));
}
if (check_for_node(node_base, "generations_per_batch")) {
gen_per_batch = std::stoi(get_node_value(node_base, "generations_per_batch"));
}
// TODO: Preallocate space for keff and entropy by generation
// TODO: Read keff_trigger information
// Get the trigger information for keff
if (check_for_node(node_base, "keff_trigger")) {
xml_node node_keff_trigger = node_base.child("keff_trigger");
if (check_for_node(node_keff_trigger, "type")) {
auto temp = get_node_value(node_keff_trigger, "type", true, true);
if (temp == "std_dev") {
keff_trigger.type = STANDARD_DEVIATION;
} else if (temp == "variance") {
keff_trigger.type = VARIANCE;
} else if ( temp == "rel_err") {
keff_trigger.type = RELATIVE_ERROR;
} else {
fatal_error("Unrecognized keff trigger type " + temp);
}
} else {
fatal_error("Specify keff trigger type in settings XML");
}
if (check_for_node(node_keff_trigger, "threshold")) {
keff_trigger.threshold = std::stod(get_node_value(
node_keff_trigger, "threshold"));
} else {
fatal_error("Specify keff trigger threshold in settings XML");
}
}
}
}
extern "C" void title();
extern "C" void read_settings_xml_f(pugi::xml_node_struct* root_ptr);
extern "C" void
read_settings_xml()
{
using namespace settings;
using namespace pugi;
// Check if settings.xml exists
std::string filename = std::string(path_input) + "settings.xml";
if (!file_exists(filename)) {
if (run_mode != RUN_MODE_PLOTTING) {
std::stringstream msg;
msg << "Settings XML file '" << filename << "' does not exist! In order "
"to run OpenMC, you first need a set of input files; at a minimum, this "
"includes settings.xml, geometry.xml, and materials.xml. Please consult "
"the user's guide at http://openmc.readthedocs.io for further "
"information.";
fatal_error(msg);
} else {
// The settings.xml file is optional if we just want to make a plot.
return;
}
}
// Parse settings.xml file
xml_document doc;
auto result = doc.load_file("settings.xml");
if (!result) {
fatal_error("Error processing settings.xml file.");
}
// Get root element
xml_node root = doc.document_element();
// Verbosity
if (check_for_node(root, "verbosity")) {
verbosity = std::stoi(get_node_value(root, "verbosity"));
}
// To this point, we haven't displayed any output since we didn't know what
// the verbosity is. Now that we checked for it, show the title if necessary
if (openmc_master) {
if (verbosity >= 2) title();
}
write_message("Reading settings XML file...", 5);
// Find if a multi-group or continuous-energy simulation is desired
if (check_for_node(root, "energy_mode")) {
std::string temp_str = get_node_value(root, "energy_mode", true, true);
if (temp_str == "mg" || temp_str == "multi-group") {
run_CE = false;
} else if (temp_str == "ce" || temp_str == "continuous-energy") {
run_CE = true;
}
}
// Look for deprecated cross_sections.xml file in settings.xml
if (check_for_node(*root, "cross_sections")) {
if (check_for_node(root, "cross_sections")) {
warning("Setting cross_sections in settings.xml has been deprecated."
" The cross_sections are now set in materials.xml and the "
"cross_sections input to materials.xml and the OPENMC_CROSS_SECTIONS"
" environment variable will take precendent over setting "
"cross_sections in settings.xml.");
path_cross_sections = get_node_value(*root, "cross_sections");
path_cross_sections = get_node_value(root, "cross_sections");
}
// Look for deprecated windowed_multipole file in settings.xml
if (run_mode != RUN_MODE_PLOTTING) {
if (check_for_node(*root, "multipole_library")) {
if (check_for_node(root, "multipole_library")) {
warning("Setting multipole_library in settings.xml has been "
"deprecated. The multipole_library is now set in materials.xml and"
" the multipole_library input to materials.xml and the "
"OPENMC_MULTIPOLE_LIBRARY environment variable will take "
"precendent over setting multipole_library in settings.xml.");
path_multipole = get_node_value(*root, "multipole_library");
path_multipole = get_node_value(root, "multipole_library");
}
if (!ends_with(path_multipole, "/")) {
path_multipole += "/";
}
}
// Check for output options
if (check_for_node(*root, "output")) {
if (!run_CE) {
// Scattering Treatments
if (check_for_node(root, "max_order")) {
max_order = std::stoi(get_node_value(root, "max_order"));
} else {
// Set to default of largest int - 1, which means to use whatever is
// contained in library.
// This is largest int - 1 because for legendre scattering, a value of
// 1 is added to the order; adding 1 to huge(0) gets you the largest
// negative integer, which is not what we want.
max_order = std::numeric_limits<int>::max() - 1;
}
}
// Get pointer to output node
pugi::xml_node node_output = root->child("output");
// Check for a trigger node and get trigger information
if (check_for_node(root, "trigger")) {
xml_node node_trigger = root.child("trigger");
// Set output directory if a path has been specified
if (check_for_node(node_output, "path")) {
path_output = get_node_value(node_output, "path");
if (!ends_with(path_output, "/")) {
path_output += "/";
// Check if trigger(s) are to be turned on
trigger_on = get_node_value_bool(node_trigger, "active");
if (trigger_on) {
if (check_for_node(node_trigger, "max_batches") ){
n_max_batches = std::stoi(get_node_value(node_trigger, "max_batches"));
} else {
fatal_error("<max_batches> must be specified with triggers");
}
// Get the batch interval to check triggers
if (!check_for_node(node_trigger, "batch_interval")){
trigger_predict = true;
} else {
trigger_batch_interval = std::stoi(get_node_value(node_trigger, "batch_interval"));
if (trigger_batch_interval <= 0) {
fatal_error("Trigger batch interval must be greater than zero");
}
}
}
}
// Get temperature settings
if (check_for_node(*root, "temperature_default")) {
temperature_default = std::stod(get_node_value(*root, "temperature_default"));
}
if (check_for_node(*root, "temperature_method")) {
auto temp_str = get_node_value(*root, "temperature_method", true, true);
if (temp_str == "nearest") {
temperature_method = TEMPERATURE_NEAREST;
} else if (temp_str == "interpolation") {
temperature_method = TEMPERATURE_INTERPOLATION;
// Check run mode if it hasn't been set from the command line
xml_node node_mode;
if (run_mode == -1) {
if (check_for_node(root, "run_mode")) {
std::string temp_str = get_node_value(root, "run_mode", true, true);
if (temp_str == "eigenvalue") {
run_mode = RUN_MODE_EIGENVALUE;
} else if (temp_str == "fixed source") {
run_mode = RUN_MODE_FIXEDSOURCE;
} else if (temp_str == "plot") {
run_mode = RUN_MODE_PLOTTING;
} else if (temp_str == "particle restart") {
run_mode = RUN_MODE_PARTICLE;
} else if (temp_str == "volume") {
run_mode = RUN_MODE_VOLUME;
} else {
fatal_error("Unrecognized run mode: " + temp_str);
}
// Assume XML specifies <particles>, <batches>, etc. directly
node_mode = root;
} else {
fatal_error("Unknown temperature method: " + temp_str);
warning("<run_mode> should be specified.");
// Make sure that either eigenvalue or fixed source was specified
node_mode = root.child("eigenvalue");
if (node_mode) {
if (run_mode == -1) run_mode = RUN_MODE_EIGENVALUE;
} else {
node_mode = root.child("fixed_source");
if (node_mode) {
if (run_mode == -1) run_mode = RUN_MODE_FIXEDSOURCE;
} else {
fatal_error("<eigenvalue> or <fixed_source> not specified.");
}
}
}
}
if (check_for_node(*root, "temperature_tolerance")) {
temperature_tolerance = std::stod(get_node_value(*root, "temperature_tolerance"));
if (run_mode == RUN_MODE_EIGENVALUE || run_mode == RUN_MODE_FIXEDSOURCE) {
// Read run parameters
get_run_parameters(node_mode);
// Check number of active batches, inactive batches, and particles
if (n_batches <= n_inactive) {
fatal_error("Number of active batches must be greater than zero.");
} else if (n_inactive < 0) {
fatal_error("Number of inactive batches must be non-negative.");
} else if (n_particles <= 0) {
fatal_error("Number of particles must be greater than zero.");
}
}
if (check_for_node(*root, "temperature_multipole")) {
temperature_multipole = get_node_value_bool(*root, "temperature_multipole");
// Copy random number seed if specified
if (check_for_node(root, "seed")) {
auto seed = std::stoll(get_node_value(root, "seed"));
openmc_set_seed(seed);
}
if (check_for_node(*root, "temperature_range")) {
auto range = get_node_array<double>(*root, "temperature_range");
temperature_range[0] = range[0];
temperature_range[1] = range[1];
// Check for electron treatment
if (check_for_node(root, "electron_treatment")) {
auto temp_str = get_node_value(root, "electron_treatment", true, true);
if (temp_str == "led") {
electron_treatment = ELECTRON_LED;
} else if (temp_str == "ttb") {
electron_treatment = ELECTRON_TTB;
} else {
fatal_error("Unrecognized electron treatment: " + temp_str + ".");
}
}
// Check for photon transport
if (check_for_node(root, "photon_transport")) {
photon_transport = get_node_value_bool(root, "photon_transport");
if (!run_CE && photon_transport) {
fatal_error("Photon transport is not currently supported in "
"multigroup mode");
}
}
// Number of bins for logarithmic grid
if (check_for_node(root, "log_grid_bins")) {
n_log_bins = std::stoi(get_node_value(root, "log_grid_bins"));
if (n_log_bins < 1) {
fatal_error("Number of bins for logarithmic grid must be greater "
"than zero.");
}
}
// Number of OpenMP threads
if (check_for_node(root, "threads")) {
#ifdef _OPENMP
if (openmc_n_threads == 0) {
openmc_n_threads = std::stoi(get_node_value(root, "threads"));
if (openmc_n_threads < 1) {
std::stringstream msg;
msg << "Invalid number of threads: " << openmc_n_threads;
fatal_error(msg);
}
omp_set_num_threads(openmc_n_threads);
}
#else
if (openmc_master) warning("Ignoring number of threads.");
#endif
}
// ==========================================================================
// EXTERNAL SOURCE
// Get point to list of <source> elements and make sure there is at least one
for (pugi::xml_node node : root->children("source")) {
for (pugi::xml_node node : root.children("source")) {
external_sources.emplace_back(node);
}
@ -178,6 +415,268 @@ void read_settings(pugi::xml_node* root)
};
external_sources.push_back(std::move(source));
}
// Check if we want to write out source
if (check_for_node(root, "write_initial_source")) {
write_initial_source = get_node_value_bool(root, "write_initial_source");
}
// Survival biasing
if (check_for_node(root, "survival_biasing")) {
survival_biasing = get_node_value_bool(root, "survival_biasing");
}
// Probability tables
if (check_for_node(root, "ptables")) {
urr_ptables_on = get_node_value_bool(root, "ptables");
}
// Cutoffs
if (check_for_node(root, "cutoff")) {
xml_node node_cutoff = root.child("cutoff");
if (check_for_node(node_cutoff, "weight")) {
weight_cutoff = std::stod(get_node_value(node_cutoff, "weight"));
}
if (check_for_node(node_cutoff, "weight_avg")) {
weight_survive = std::stod(get_node_value(node_cutoff, "weight_avg"));
}
if (check_for_node(node_cutoff, "energy_neutron")) {
energy_cutoff[0] = std::stod(get_node_value(node_cutoff, "energy_neutron"));
} else if (check_for_node(node_cutoff, "energy")) {
warning("The use of an <energy> cutoff is deprecated and should "
"be replaced by <energy_neutron>.");
energy_cutoff[0] = std::stod(get_node_value(node_cutoff, "energy"));
}
if (check_for_node(node_cutoff, "energy_photon")) {
energy_cutoff[1] = std::stod(get_node_value(node_cutoff, "energy_photon"));
}
if (check_for_node(node_cutoff, "energy_electron")) {
energy_cutoff[2] = std::stof(get_node_value(node_cutoff, "energy_electron"));
}
if (check_for_node(node_cutoff, "energy_positron")) {
energy_cutoff[3] = std::stod(get_node_value(node_cutoff, "energy_positron"));
}
}
// Particle trace
if (check_for_node(root, "trace")) {
auto temp = get_node_array<int64_t>(root, "trace");
trace_batch = temp.at(0);
trace_gen = temp.at(1);
trace_particle = temp.at(2);
}
// Particle tracks
if (check_for_node(root, "track")) {
// Get values and make sure there are three per particle
auto temp = get_node_array<int64_t>(root, "track");
if (temp.size() % 3 != 0) {
fatal_error("Number of integers specified in 'track' is not "
"divisible by 3. Please provide 3 integers per particle to be "
"tracked.");
}
// Reshape into track_identifiers
//allocate(track_identifiers(3, n_tracks/3))
//track_identifiers = reshape(temp_int_array, [3, n_tracks/3])
}
// TODO: Read meshes
// TODO: Read <state_point>
// Check if the user has specified to write source points
if (check_for_node(root, "source_point")) {
// Get source_point node
xml_node node_sp = root.child("source_point");
// TODO: Read source point batches
// Check if the user has specified to write binary source file
if (check_for_node(node_sp, "separate")) {
source_separate = get_node_value_bool(node_sp, "separate");
}
if (check_for_node(node_sp, "write")) {
source_write = get_node_value_bool(node_sp, "write");
}
if (check_for_node(node_sp, "overwrite_latest")) {
source_latest = get_node_value_bool(node_sp, "overwrite_latest");
source_separate = source_latest;
}
} else {
// If no <source_point> tag was present, by default we keep source bank in
// statepoint file and write it out at statepoints intervals
source_separate = false;
// TODO: add defaults
}
// TODO: Check source points are subset
// Check if the user has specified to not reduce tallies at the end of every
// batch
if (check_for_node(root, "no_reduce")) {
reduce_tallies = get_node_value_bool(root, "no_reduce");
}
// Check if the user has specified to use confidence intervals for
// uncertainties rather than standard deviations
if (check_for_node(root, "confidence_intervals")) {
confidence_intervals = get_node_value_bool(root, "confidence_intervals");
}
// Check for output options
if (check_for_node(root, "output")) {
// Get pointer to output node
pugi::xml_node node_output = root.child("output");
// Check for summary option
if (check_for_node(node_output, "summary")) {
output_summary = get_node_value_bool(node_output, "summary");
}
// Check for ASCII tallies output option
if (check_for_node(node_output, "tallies")) {
output_tallies = get_node_value_bool(node_output, "tallies");
}
// Set output directory if a path has been specified
if (check_for_node(node_output, "path")) {
path_output = get_node_value(node_output, "path");
if (!ends_with(path_output, "/")) {
path_output += "/";
}
}
}
// Check for cmfd run
if (check_for_node(root, "run_cmfd")) {
cmfd_run = get_node_value_bool(root, "run_cmfd");
}
// Resonance scattering parameters
if (check_for_node(root, "resonance_scattering")) {
xml_node node_res_scat = root.child("resonance_scattering");
// See if resonance scattering is enabled
if (check_for_node(node_res_scat, "enable")) {
res_scat_on = get_node_value_bool(node_res_scat, "enable");
} else {
res_scat_on = true;
}
// Determine what method is used
if (check_for_node(node_res_scat, "method")) {
auto temp = get_node_value(node_res_scat, "method", true, true);
if (temp == "ares") {
res_scat_method = RES_SCAT_ARES;
} else if (temp == "dbrc") {
res_scat_method = RES_SCAT_DBRC;
} else if (temp == "wcm") {
res_scat_method = RES_SCAT_WCM;
} else {
fatal_error("Unrecognized resonance elastic scattering method: "
+ temp + ".");
}
}
// Minimum energy for resonance scattering
if (check_for_node(node_res_scat, "energy_min")) {
res_scat_energy_min = std::stod(get_node_value(node_res_scat, "energy_min"));
}
if (res_scat_energy_min < 0.0) {
fatal_error("Lower resonance scattering energy bound is negative");
}
// Maximum energy for resonance scattering
if (check_for_node(node_res_scat, "energy_max")) {
res_scat_energy_max = std::stod(get_node_value(node_res_scat, "energy_max"));
}
if (res_scat_energy_max < res_scat_energy_min) {
fatal_error("Upper resonance scattering energy bound is below the"
"lower resonance scattering energy bound.");
}
// TODO: Get resonance scattering nuclides
}
// TODO: Get volume calculations
// Get temperature settings
if (check_for_node(root, "temperature_default")) {
temperature_default = std::stod(get_node_value(root, "temperature_default"));
}
if (check_for_node(root, "temperature_method")) {
auto temp = get_node_value(root, "temperature_method", true, true);
if (temp == "nearest") {
temperature_method = TEMPERATURE_NEAREST;
} else if (temp == "interpolation") {
temperature_method = TEMPERATURE_INTERPOLATION;
} else {
fatal_error("Unknown temperature method: " + temp);
}
}
if (check_for_node(root, "temperature_tolerance")) {
temperature_tolerance = std::stod(get_node_value(root, "temperature_tolerance"));
}
if (check_for_node(root, "temperature_multipole")) {
temperature_multipole = get_node_value_bool(root, "temperature_multipole");
}
if (check_for_node(root, "temperature_range")) {
auto range = get_node_array<double>(root, "temperature_range");
temperature_range[0] = range.at(0);
temperature_range[1] = range.at(1);
}
// Check for tabular_legendre options
if (check_for_node(root, "tabular_legendre")) {
// Get pointer to tabular_legendre node
xml_node node_tab_leg = root.child("tabular_legendre");
// Check for enable option
if (check_for_node(node_tab_leg, "enable")) {
legendre_to_tabular = get_node_value_bool(node_tab_leg, "enable");
}
// Check for the number of points
if (check_for_node(node_tab_leg, "num_points")) {
legendre_to_tabular_points = std::stoi(get_node_value(
node_tab_leg, "num_points"));
if (legendre_to_tabular_points <= 1 && !run_CE) {
fatal_error("The 'num_points' subelement/attribute of the "
"<tabular_legendre> element must contain a value greater than 1");
}
}
}
// Check whether create fission sites
if (run_mode == RUN_MODE_FIXEDSOURCE) {
if (check_for_node(root, "create_fission_neutrons")) {
create_fission_neutrons = get_node_value_bool(root, "create_fission_neutrons");
}
}
// Read remaining settings from Fortran side
read_settings_xml_f(root.internal_object());
}
//==============================================================================
// Fortran compatibility functions
//==============================================================================
extern "C" {
const char* openmc_path_input() {
return settings::path_input.c_str();
}
const char* openmc_path_statepoint() {
return settings::path_statepoint.c_str();
}
const char* openmc_path_sourcepoint() {
return settings::path_sourcepoint.c_str();
}
const char* openmc_path_particle_restart() {
return settings::path_particle_restart.c_str();
}
}
} // namespace openmc