// ReSharper disable CppUnusedIncludeDirective #include #include #include #include #include #include "gridfire/gridfire.h" #include // Required for parallel_setup #include "fourdst/composition/composition.h" #include "fourdst/logging/logging.h" #include "fourdst/atomic/species.h" #include "fourdst/composition/utils.h" #include "quill/Logger.h" #include "quill/Backend.h" #include "CLI/CLI.hpp" #include #include "gridfire/utils/gf_omp.h" static std::terminate_handler g_previousHandler = nullptr; static std::vector>>> g_callbackHistory; static bool s_wrote_abundance_history = false; void quill_terminate_handler(); using namespace fourdst::composition; Composition rescale(const Composition& comp, double target_X, double target_Z) { // 1. Validate inputs if (target_X < 0.0 || target_Z < 0.0 || (target_X + target_Z) > 1.0 + 1e-14) { throw std::invalid_argument("Target mass fractions X and Z must be non-negative and sum to <= 1.0"); } // Force high precision for the target Y to ensure X+Y+Z = 1.0 exactly in our logic long double ld_target_X = static_cast(target_X); long double ld_target_Z = static_cast(target_Z); long double ld_target_Y = 1.0L - ld_target_X - ld_target_Z; // Clamp Y to 0 if it dipped slightly below due to precision (e.g. X+Z=1.0000000001) if (ld_target_Y < 0.0L) ld_target_Y = 0.0L; // 2. Manually calculate current Mass Totals (bypass getCanonicalComposition to avoid crashes) long double total_mass_H = 0.0L; long double total_mass_He = 0.0L; long double total_mass_Z = 0.0L; // We need to iterate and identify species types manually // Standard definition: H (z=1), He (z=2), Metals (z>2) // Note: We use long double accumulators to prevent summation drift for (const auto& [spec, molar_abundance] : comp) { // Retrieve atomic properties. // Note: usage assumes fourdst::atomic::Species has .z() and .mass() // consistent with the provided composition.cpp int z = spec.z(); double a = spec.mass(); long double mass_contribution = static_cast(molar_abundance) * static_cast(a); if (z == 1) { total_mass_H += mass_contribution; } else if (z == 2) { total_mass_He += mass_contribution; } else { total_mass_Z += mass_contribution; } } long double total_mass_current = total_mass_H + total_mass_He + total_mass_Z; // Edge case: Empty composition if (total_mass_current <= 0.0L) { // Return empty or throw? If input was empty, return empty. if (comp.size() == 0) return comp; throw std::runtime_error("Input composition has zero total mass."); } // 3. Calculate Scaling Factors // Factor = (Target_Mass_Fraction / Old_Mass_Fraction) // = (Target_Mass_Fraction) / (Old_Group_Mass / Total_Mass) // = (Target_Mass_Fraction * Total_Mass) / Old_Group_Mass long double scale_H = 0.0L; long double scale_He = 0.0L; long double scale_Z = 0.0L; if (ld_target_X > 1e-16L) { if (total_mass_H <= 1e-19L) { throw std::runtime_error("Cannot rescale Hydrogen to " + std::to_string(target_X) + " because input has no Hydrogen."); } scale_H = (ld_target_X * total_mass_current) / total_mass_H; } if (ld_target_Y > 1e-16L) { if (total_mass_He <= 1e-19L) { throw std::runtime_error("Cannot rescale Helium to " + std::to_string((double)ld_target_Y) + " because input has no Helium."); } scale_He = (ld_target_Y * total_mass_current) / total_mass_He; } if (ld_target_Z > 1e-16L) { if (total_mass_Z <= 1e-19L) { throw std::runtime_error("Cannot rescale Metals to " + std::to_string(target_Z) + " because input has no Metals."); } scale_Z = (ld_target_Z * total_mass_current) / total_mass_Z; } // 4. Apply Scaling and Construct New Vectors std::vector new_species; std::vector new_abundances; new_species.reserve(comp.size()); new_abundances.reserve(comp.size()); for (const auto& [spec, abundance] : comp) { new_species.push_back(spec); long double factor = 0.0L; int z = spec.z(); if (z == 1) { factor = scale_H; } else if (z == 2) { factor = scale_He; } else { factor = scale_Z; } // Calculate new abundance in long double then cast back long double new_val_ld = static_cast(abundance) * factor; new_abundances.push_back(static_cast(new_val_ld)); } return Composition(new_species, new_abundances); } gridfire::NetIn init(const double temp, const double rho, const double tMax) { std::setlocale(LC_ALL, ""); g_previousHandler = std::set_terminate(quill_terminate_handler); quill::Logger* logger = fourdst::logging::LogManager::getInstance().getLogger("log"); logger->set_log_level(quill::LogLevel::Info); using namespace gridfire; const std::vector X = {0.7081145999999999, 2.94e-5, 0.276, 0.003, 0.0011, 9.62e-3, 1.62e-3, 5.16e-4}; const std::vector symbols = {"H-1", "He-3", "He-4", "C-12", "N-14", "O-16", "Ne-20", "Mg-24"}; const fourdst::composition::Composition composition = fourdst::composition::buildCompositionFromMassFractions(symbols, X); NetIn netIn; netIn.composition = composition; netIn.temperature = temp; netIn.density = rho; netIn.energy = 0; netIn.tMax = tMax; netIn.dt0 = 1e-12; return netIn; } void log_results(const gridfire::NetOut& netOut, const gridfire::NetIn& netIn) { std::vector logSpecies = { fourdst::atomic::H_1, fourdst::atomic::He_3, fourdst::atomic::He_4, fourdst::atomic::C_12, fourdst::atomic::N_14, fourdst::atomic::O_16, fourdst::atomic::Ne_20, fourdst::atomic::Mg_24 }; std::vector initial; std::vector final; std::vector delta; std::vector fractional; for (const auto& species : logSpecies) { double initial_X = netIn.composition.getMassFraction(species); double final_X = netOut.composition.getMassFraction(species); double delta_X = final_X - initial_X; double fractionalChange = (delta_X) / initial_X * 100.0; initial.push_back(initial_X); final.push_back(final_X); delta.push_back(delta_X); fractional.push_back(fractionalChange); } initial.push_back(0.0); // Placeholder for energy final.push_back(netOut.energy); delta.push_back(netOut.energy); fractional.push_back(0.0); // Placeholder for energy initial.push_back(0.0); final.push_back(netOut.dEps_dT); delta.push_back(netOut.dEps_dT); fractional.push_back(0.0); initial.push_back(0.0); final.push_back(netOut.dEps_dRho); delta.push_back(netOut.dEps_dRho); fractional.push_back(0.0); initial.push_back(0.0); final.push_back(netOut.specific_neutrino_energy_loss); delta.push_back(netOut.specific_neutrino_energy_loss); fractional.push_back(0.0); initial.push_back(0.0); final.push_back(netOut.specific_neutrino_flux); delta.push_back(netOut.specific_neutrino_flux); fractional.push_back(0.0); initial.push_back(netIn.composition.getMeanParticleMass()); final.push_back(netOut.composition.getMeanParticleMass()); delta.push_back(final.back() - initial.back()); fractional.push_back((final.back() - initial.back()) / initial.back() * 100.0); std::vector rowLabels = [&]() -> std::vector { std::vector labels; for (const auto& species : logSpecies) { labels.emplace_back(species.name()); } labels.emplace_back("ε"); labels.emplace_back("dε/dT"); labels.emplace_back("dε/dρ"); labels.emplace_back("Eν"); labels.emplace_back("Fν"); labels.emplace_back("<μ>"); return labels; }(); gridfire::utils::Column paramCol("Parameter", rowLabels); gridfire::utils::Column initialCol("Initial", initial); gridfire::utils::Column finalCol ("Final", final); gridfire::utils::Column deltaCol ("δ", delta); gridfire::utils::Column percentCol("% Change", fractional); std::vector> columns; columns.push_back(std::make_unique>(paramCol)); columns.push_back(std::make_unique>(initialCol)); columns.push_back(std::make_unique>(finalCol)); columns.push_back(std::make_unique>(deltaCol)); columns.push_back(std::make_unique>(percentCol)); gridfire::utils::print_table("Simulation Results", columns); } void record_abundance_history_callback(const gridfire::solver::PointSolverTimestepContext& ctx) { s_wrote_abundance_history = true; const auto& engine = ctx.engine; // std::unordered_map> abundances; std::vector Y; for (const auto& species : engine.getNetworkSpecies(ctx.state_ctx)) { const size_t sid = engine.getSpeciesIndex(ctx.state_ctx, species); double y = N_VGetArrayPointer(ctx.state)[sid]; Y.push_back(y > 0.0 ? y : 0.0); // Regularize tiny negative abundances to zero } fourdst::composition::Composition comp(engine.getNetworkSpecies(ctx.state_ctx), Y); std::unordered_map> abundances; for (const auto& sp : comp | std::views::keys) { abundances.emplace(std::string(sp.name()), std::make_pair(sp.mass(), comp.getMolarAbundance(sp))); } g_callbackHistory.emplace_back(ctx.t, abundances); } void save_callback_data(const std::string_view filename) { std::set unique_species; for (const auto &abundances: g_callbackHistory | std::views::values) { for (const auto &species_name: abundances | std::views::keys) { unique_species.insert(species_name); } } std::ofstream csvFile(filename.data(), std::ios::out); csvFile << "t,"; size_t i = 0; for (const auto& species_name : unique_species) { csvFile << species_name; if (i < unique_species.size() - 1) { csvFile << ","; } i++; } csvFile << "\n"; for (const auto& [time, data] : g_callbackHistory) { csvFile << time << ","; size_t j = 0; for (const auto& species_name : unique_species) { if (!data.contains(species_name)) { csvFile << "0.0"; } else { csvFile << data.at(species_name).second; } if (j < unique_species.size() - 1) { csvFile << ","; } ++j; } csvFile << "\n"; } csvFile.close(); } void log_callback_data(const double temp) { if (s_wrote_abundance_history) { std::cout << "Saving abundance history to abundance_history.csv" << std::endl; save_callback_data("abundance_history_" + std::to_string(temp) + ".csv"); } } void quill_terminate_handler() { log_callback_data(1.5e7); quill::Backend::stop(); if (g_previousHandler) g_previousHandler(); else std::abort(); } void callback_main(const gridfire::solver::PointSolverTimestepContext& ctx) { record_abundance_history_callback(ctx); } int main(int argc, char** argv) { GF_PAR_INIT(); using namespace gridfire; double temp = 1.5e7; double rho = 1.5e2; double tMax = 3.1536e+16; CLI::App app("GridFire Quick CLI Test"); app.add_option("--temp", temp, "Initial Temperature")->default_val(std::format("{:5.2E}", temp)); app.add_option("--rho", rho, "Initial Density")->default_val(std::format("{:5.2E}", rho)); app.add_option("--tmax", tMax, "Maximum Time")->default_val(std::format("{:5.2E}", tMax)); CLI11_PARSE(app, argc, argv); NetIn netIn = init(temp, rho, tMax); policy::MainSequencePolicy stellarPolicy(netIn.composition); auto [engine, ctx_template] = stellarPolicy.construct(); solver::PointSolverContext solver_context(*ctx_template); solver::PointSolver solver(engine); NetOut result = solver.evaluate(solver_context, netIn); log_results(result, netIn); }