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Move write_tallies to C++
This commit is contained in:
Sterling Harper
parent
ddaed7311b
commit
8bb0fa7791
6 changed files with 366 additions and 373 deletions
182
src/output.cpp
182
src/output.cpp
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@ -2,27 +2,37 @@
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#include <algorithm> // for std::transform
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#include <cstring> // for strlen
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#include <iomanip> // for setw
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#include <iostream>
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#include <sstream>
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#include <ctime>
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#include <iomanip> // for setw, setprecision
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#include <ios> // for left
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#include <iostream>
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#include <fstream>
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#include <sstream>
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#include <unordered_map>
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#include "openmc/capi.h"
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#include "openmc/cell.h"
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#include "openmc/constants.h"
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#include "openmc/error.h"
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#include "openmc/geometry.h"
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#include "openmc/lattice.h"
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#include "openmc/math_functions.h"
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#include "openmc/message_passing.h"
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#include "openmc/mgxs_interface.h"
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#include "openmc/nuclide.h"
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#include "openmc/plot.h"
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#include "openmc/reaction.h"
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#include "openmc/settings.h"
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#include "openmc/surface.h"
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#include "openmc/tallies/derivative.h"
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#include "openmc/tallies/tally.h"
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namespace openmc {
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//==============================================================================
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void
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header(const char* msg, int level) {
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std::string
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header(const char* msg) {
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// Determine how many times to repeat the '=' character.
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int n_prefix = (63 - strlen(msg)) / 2;
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int n_suffix = n_prefix;
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@ -39,10 +49,18 @@ header(const char* msg, int level) {
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out << "> " << upper << " <";
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for (int i = 0; i < n_suffix; i++) out << '=';
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return out.str();
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}
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std::string header(const std::string& msg) {return header(msg.c_str());}
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void
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header(const char* msg, int level) {
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auto out = header(msg);
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// Print header based on verbosity level.
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if (settings::verbosity >= level) {
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std::cout << out.str() << "\n\n";
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}
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if (settings::verbosity >= level)
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std::cout << out << "\n\n";
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}
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//==============================================================================
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@ -230,4 +248,152 @@ print_overlap_check()
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}
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}
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//==============================================================================
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std::pair<double, double>
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mean_stdev(double sum, double sum_sq, int n)
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{
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double mean, std_dev;
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mean = sum / n;
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if (n > 1) {
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std_dev = std::sqrt((sum_sq / n - mean*mean) / (n - 1));
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} else {
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std_dev = 0;
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}
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return {mean, std_dev};
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}
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const std::unordered_map<int, const char*> score_names = {
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{SCORE_FLUX, "Flux"},
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{SCORE_TOTAL, "Total Reaction Rate"},
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{SCORE_SCATTER, "Scattering Rate"},
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{SCORE_NU_SCATTER, "Scattering Production Rate"},
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{SCORE_ABSORPTION, "Absorption Rate"},
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{SCORE_FISSION, "Fission Rate"},
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{SCORE_NU_FISSION, "Nu-Fission Rate"},
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{SCORE_KAPPA_FISSION, "Kappa-Fission Rate"},
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{SCORE_EVENTS, "Events"},
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{SCORE_DECAY_RATE, "Decay Rate"},
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{SCORE_DELAYED_NU_FISSION, "Delayed-Nu-Fission Rate"},
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{SCORE_PROMPT_NU_FISSION, "Prompt-Nu-Fission Rate"},
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{SCORE_INVERSE_VELOCITY, "Flux-Weighted Inverse Velocity"},
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{SCORE_FISS_Q_PROMPT, "Prompt fission power"},
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{SCORE_FISS_Q_RECOV, "Recoverable fission power"},
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{SCORE_CURRENT, "Current"},
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};
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//! Create an ASCII output file showing all tally results.
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extern "C" void
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write_tallies()
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{
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if (model::tallies.empty()) return;
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// Open the tallies.out file.
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std::ofstream tallies_out;
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tallies_out.open("tallies.out", std::ios::out | std::ios::trunc);
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tallies_out << std::setprecision(6);
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// Loop over each tally.
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for (auto i_tally = 0; i_tally < model::tallies.size(); ++i_tally) {
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const auto& tally {*model::tallies[i_tally]};
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auto results = tally_results(i_tally+1);
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// TODO: get this directly from the tally object when it's been translated
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int32_t n_realizations;
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auto err = openmc_tally_get_n_realizations(i_tally+1, &n_realizations);
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// Calculate t-value for confidence intervals
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double t_value = 1;
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if (settings::confidence_intervals) {
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auto alpha = 1 - CONFIDENCE_LEVEL;
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t_value = t_percentile_c(1 - alpha*0.5, n_realizations - 1);
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}
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// Write header block.
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std::string tally_header("TALLY " + std::to_string(tally.id_));
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if (!tally.name_.empty()) tally_header += ": " + tally.name_;
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tallies_out << "\n" << header(tally_header) << "\n\n";
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// Write derivative information.
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if (tally.deriv_ != C_NONE) {
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const auto& deriv {model::tally_derivs[tally.deriv_]};
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switch (deriv.variable) {
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case DIFF_DENSITY:
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tallies_out << " Density derivative Material "
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<< std::to_string(deriv.diff_material) << "\n";
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break;
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case DIFF_NUCLIDE_DENSITY:
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tallies_out << " Nuclide density derivative Material "
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<< std::to_string(deriv.diff_material) << " Nuclide "
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// TODO: off-by-one
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<< data::nuclides[deriv.diff_nuclide-1]->name_ << "\n";
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break;
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case DIFF_TEMPERATURE:
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tallies_out << " Temperature derivative Material "
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<< std::to_string(deriv.diff_material) << "\n";
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break;
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default:
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fatal_error("Differential tally dependent variable for tally "
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+ std::to_string(tally.id_) + " not defined in output.cpp");
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}
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}
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// Loop over all filter bin combinations.
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auto filter_iter = FilterBinIter(tally, false);
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auto end = FilterBinIter(tally, true);
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for (; filter_iter != end; ++filter_iter) {
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auto filter_index = filter_iter.index_;
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// Print info about this combination of filter bins. The stride check
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// prevents redundant output.
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int indent = 0;
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for (auto i = 0; i < tally.filters().size(); ++i) {
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if ((filter_index-1) % tally.strides(i) == 0) {
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auto i_filt = tally.filters(i);
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const auto& filt {*model::tally_filters[i_filt]};
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auto& match {simulation::filter_matches[i_filt]};
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tallies_out << std::string(indent+1, ' ')
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<< filt.text_label(match.i_bin_) << "\n";
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}
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indent += 2;
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}
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// Loop over all nuclide and score combinations.
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int score_index = 0;
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for (auto i_nuclide : tally.nuclides_) {
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// Write label for this nuclide bin.
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if (i_nuclide == -1) {
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tallies_out << std::string(indent+1, ' ') << "Total Material\n";
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} else {
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if (settings::run_CE) {
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tallies_out << std::string(indent+1, ' ')
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<< data::nuclides[i_nuclide]->name_ << "\n";
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} else {
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tallies_out << std::string(indent+1, ' ')
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<< data::nuclides_MG[i_nuclide].name << "\n";
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}
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}
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// Write the score, mean, and uncertainty.
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indent += 2;
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for (auto score : tally.scores_) {
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std::string score_name = score > 0 ? reaction_name(score)
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: score_names.at(score);
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double mean, stdev;
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//TODO: off-by-one
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std::tie(mean, stdev) = mean_stdev(
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results(filter_index-1, score_index, RESULT_SUM),
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results(filter_index-1, score_index, RESULT_SUM_SQ),
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n_realizations);
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tallies_out << std::string(indent+1, ' ') << std::left
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<< std::setw(36) << score_name << " " << mean << " +/- "
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<< t_value * stdev << "\n";
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score_index += 1;
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}
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indent -= 2;
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}
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}
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}
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}
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} // namespace openmc
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