#include "gridfire/engine/views/engine_defined.h" #include #include "quill/LogMacros.h" #include #include #include #include #include #include namespace gridfire { using fourdst::atomic::Species; DefinedEngineView::DefinedEngineView(const std::vector& peNames, DynamicEngine& baseEngine) : m_baseEngine(baseEngine) { collect(peNames); } const DynamicEngine & DefinedEngineView::getBaseEngine() const { return m_baseEngine; } const std::vector & DefinedEngineView::getNetworkSpecies() const { return m_activeSpecies; } std::expected, expectations::StaleEngineError> DefinedEngineView::calculateRHSAndEnergy( const std::vector &Y_defined, const double T9, const double rho ) const { validateNetworkState(); const auto Y_full = mapViewToFull(Y_defined); const auto result = m_baseEngine.calculateRHSAndEnergy(Y_full, T9, rho); if (!result) { return std::unexpected{result.error()}; } const auto [dydt, nuclearEnergyGenerationRate] = result.value(); StepDerivatives definedResults; definedResults.nuclearEnergyGenerationRate = nuclearEnergyGenerationRate; definedResults.dydt = mapFullToView(dydt); return definedResults; } void DefinedEngineView::generateJacobianMatrix( const std::vector &Y_dynamic, const double T9, const double rho ) const { validateNetworkState(); const auto Y_full = mapViewToFull(Y_dynamic); m_baseEngine.generateJacobianMatrix(Y_full, T9, rho); } double DefinedEngineView::getJacobianMatrixEntry( const int i_defined, const int j_defined ) const { validateNetworkState(); const size_t i_full = mapViewToFullSpeciesIndex(i_defined); const size_t j_full = mapViewToFullSpeciesIndex(j_defined); return m_baseEngine.getJacobianMatrixEntry(i_full, j_full); } void DefinedEngineView::generateStoichiometryMatrix() { validateNetworkState(); m_baseEngine.generateStoichiometryMatrix(); } int DefinedEngineView::getStoichiometryMatrixEntry( const int speciesIndex_defined, const int reactionIndex_defined ) const { validateNetworkState(); const size_t i_full = mapViewToFullSpeciesIndex(speciesIndex_defined); const size_t j_full = mapViewToFullReactionIndex(reactionIndex_defined); return m_baseEngine.getStoichiometryMatrixEntry(i_full, j_full); } double DefinedEngineView::calculateMolarReactionFlow( const reaction::Reaction &reaction, const std::vector &Y_defined, const double T9, const double rho ) const { validateNetworkState(); if (!m_activeReactions.contains(reaction)) { LOG_ERROR(m_logger, "Reaction '{}' is not part of the active reactions in the DefinedEngineView.", reaction.id()); m_logger -> flush_log(); throw std::runtime_error("Reaction not found in active reactions: " + std::string(reaction.id())); } const auto Y_full = mapViewToFull(Y_defined); return m_baseEngine.calculateMolarReactionFlow(reaction, Y_full, T9, rho); } const reaction::LogicalReactionSet & DefinedEngineView::getNetworkReactions() const { validateNetworkState(); return m_activeReactions; } void DefinedEngineView::setNetworkReactions(const reaction::LogicalReactionSet &reactions) { std::vector peNames; for (const auto& reaction : reactions) { peNames.push_back(std::string(reaction.id())); } collect(peNames); } std::expected, expectations::StaleEngineError> DefinedEngineView::getSpeciesTimescales( const std::vector &Y_defined, const double T9, const double rho ) const { validateNetworkState(); const auto Y_full = mapViewToFull(Y_defined); const auto result = m_baseEngine.getSpeciesTimescales(Y_full, T9, rho); if (!result) { return std::unexpected{result.error()}; } const auto& fullTimescales = result.value(); std::unordered_map definedTimescales; for (const auto& active_species : m_activeSpecies) { if (fullTimescales.contains(active_species)) { definedTimescales[active_species] = fullTimescales.at(active_species); } } return definedTimescales; } std::expected, expectations::StaleEngineError> DefinedEngineView::getSpeciesDestructionTimescales( const std::vector &Y_defined, const double T9, const double rho ) const { validateNetworkState(); const auto Y_full = mapViewToFull(Y_defined); const auto result = m_baseEngine.getSpeciesDestructionTimescales(Y_full, T9, rho); if (!result) { return std::unexpected{result.error()}; } const auto& destructionTimescales = result.value(); std::unordered_map definedTimescales; for (const auto& active_species : m_activeSpecies) { if (destructionTimescales.contains(active_species)) { definedTimescales[active_species] = destructionTimescales.at(active_species); } } return definedTimescales; } fourdst::composition::Composition DefinedEngineView::update(const NetIn &netIn) { return m_baseEngine.update(netIn); } bool DefinedEngineView::isStale(const NetIn &netIn) { return m_baseEngine.isStale(netIn); } void DefinedEngineView::setScreeningModel(const screening::ScreeningType model) { m_baseEngine.setScreeningModel(model); } screening::ScreeningType DefinedEngineView::getScreeningModel() const { return m_baseEngine.getScreeningModel(); } int DefinedEngineView::getSpeciesIndex(const Species &species) const { validateNetworkState(); const auto it = std::ranges::find(m_activeSpecies, species); if (it != m_activeSpecies.end()) { return static_cast(std::distance(m_activeSpecies.begin(), it)); } else { LOG_ERROR(m_logger, "Species '{}' not found in active species list.", species.name()); m_logger->flush_log(); throw std::runtime_error("Species not found in active species list: " + std::string(species.name())); } } std::vector DefinedEngineView::mapNetInToMolarAbundanceVector(const NetIn &netIn) const { std::vector Y(m_activeSpecies.size(), 0.0); // Initialize with zeros for (const auto& [symbol, entry] : netIn.composition) { auto it = std::ranges::find(m_activeSpecies, entry.isotope()); if (it != m_activeSpecies.end()) { Y[getSpeciesIndex(entry.isotope())] = netIn.composition.getMolarAbundance(symbol); // Map species to their molar abundance } } return Y; // Return the vector of molar abundances } PrimingReport DefinedEngineView::primeEngine(const NetIn &netIn) { return m_baseEngine.primeEngine(netIn); } std::vector DefinedEngineView::constructSpeciesIndexMap() const { LOG_TRACE_L3(m_logger, "Constructing species index map for DefinedEngineView..."); std::unordered_map fullSpeciesReverseMap; const auto& fullSpeciesList = m_baseEngine.getNetworkSpecies(); fullSpeciesReverseMap.reserve(fullSpeciesList.size()); for (size_t i = 0; i < fullSpeciesList.size(); ++i) { fullSpeciesReverseMap[fullSpeciesList[i]] = i; } std::vector speciesIndexMap; speciesIndexMap.reserve(m_activeSpecies.size()); for (const auto& active_species : m_activeSpecies) { auto it = fullSpeciesReverseMap.find(active_species); if (it != fullSpeciesReverseMap.end()) { speciesIndexMap.push_back(it->second); } else { LOG_ERROR(m_logger, "Species '{}' not found in full species map.", active_species.name()); m_logger -> flush_log(); throw std::runtime_error("Species not found in full species map: " + std::string(active_species.name())); } } LOG_TRACE_L3(m_logger, "Species index map constructed with {} entries.", speciesIndexMap.size()); return speciesIndexMap; } std::vector DefinedEngineView::constructReactionIndexMap() const { LOG_TRACE_L3(m_logger, "Constructing reaction index map for DefinedEngineView..."); // --- Step 1: Create a reverse map using the reaction's unique ID as the key. --- std::unordered_map fullReactionReverseMap; const auto& fullReactionSet = m_baseEngine.getNetworkReactions(); fullReactionReverseMap.reserve(fullReactionSet.size()); for (size_t i_full = 0; i_full < fullReactionSet.size(); ++i_full) { fullReactionReverseMap[fullReactionSet[i_full].id()] = i_full; } // --- Step 2: Build the final index map using the active reaction set. --- std::vector reactionIndexMap; reactionIndexMap.reserve(m_activeReactions.size()); for (const auto& active_reaction_ptr : m_activeReactions) { auto it = fullReactionReverseMap.find(active_reaction_ptr.id()); if (it != fullReactionReverseMap.end()) { reactionIndexMap.push_back(it->second); } else { LOG_ERROR(m_logger, "Active reaction '{}' not found in base engine during reaction index map construction.", active_reaction_ptr.id()); m_logger->flush_log(); throw std::runtime_error("Mismatch between active reactions and base engine."); } } LOG_TRACE_L3(m_logger, "Reaction index map constructed with {} entries.", reactionIndexMap.size()); return reactionIndexMap; } std::vector DefinedEngineView::mapViewToFull(const std::vector& culled) const { std::vector full(m_baseEngine.getNetworkSpecies().size(), 0.0); for (size_t i_culled = 0; i_culled < culled.size(); ++i_culled) { const size_t i_full = m_speciesIndexMap[i_culled]; full[i_full] += culled[i_culled]; } return full; } std::vector DefinedEngineView::mapFullToView(const std::vector& full) const { std::vector culled(m_activeSpecies.size(), 0.0); for (size_t i_culled = 0; i_culled < m_activeSpecies.size(); ++i_culled) { const size_t i_full = m_speciesIndexMap[i_culled]; culled[i_culled] = full[i_full]; } return culled; } size_t DefinedEngineView::mapViewToFullSpeciesIndex(size_t culledSpeciesIndex) const { if (culledSpeciesIndex < 0 || culledSpeciesIndex >= static_cast(m_speciesIndexMap.size())) { LOG_ERROR(m_logger, "Defined index {} is out of bounds for species index map of size {}.", culledSpeciesIndex, m_speciesIndexMap.size()); m_logger->flush_log(); throw std::out_of_range("Defined index " + std::to_string(culledSpeciesIndex) + " is out of bounds for species index map of size " + std::to_string(m_speciesIndexMap.size()) + "."); } return m_speciesIndexMap[culledSpeciesIndex]; } size_t DefinedEngineView::mapViewToFullReactionIndex(size_t culledReactionIndex) const { if (culledReactionIndex < 0 || culledReactionIndex >= static_cast(m_reactionIndexMap.size())) { LOG_ERROR(m_logger, "Defined index {} is out of bounds for reaction index map of size {}.", culledReactionIndex, m_reactionIndexMap.size()); m_logger->flush_log(); throw std::out_of_range("Defined index " + std::to_string(culledReactionIndex) + " is out of bounds for reaction index map of size " + std::to_string(m_reactionIndexMap.size()) + "."); } return m_reactionIndexMap[culledReactionIndex]; } void DefinedEngineView::validateNetworkState() const { if (m_isStale) { LOG_ERROR(m_logger, "DefinedEngineView is stale. Please call update() with a valid NetIn object."); m_logger->flush_log(); throw std::runtime_error("DefinedEngineView is stale. Please call update() with a valid NetIn object."); } } void DefinedEngineView::collect(const std::vector &peNames) { std::unordered_set seenSpecies; const auto& fullNetworkReactionSet = m_baseEngine.getNetworkReactions(); for (const auto& peName : peNames) { if (!fullNetworkReactionSet.contains(peName)) { LOG_ERROR(m_logger, "Reaction with name '{}' not found in the base engine's network reactions. Aborting...", peName); m_logger->flush_log(); throw std::runtime_error("Reaction with name '" + std::string(peName) + "' not found in the base engine's network reactions."); } auto reaction = fullNetworkReactionSet[peName]; for (const auto& reactant : reaction.reactants()) { if (!seenSpecies.contains(reactant)) { seenSpecies.insert(reactant); m_activeSpecies.push_back(reactant); } } for (const auto& product : reaction.products()) { if (!seenSpecies.contains(product)) { seenSpecies.insert(product); m_activeSpecies.push_back(product); } } m_activeReactions.add_reaction(reaction); } LOG_TRACE_L3(m_logger, "DefinedEngineView built with {} active species and {} active reactions.", m_activeSpecies.size(), m_activeReactions.size()); LOG_TRACE_L3(m_logger, "Active species: {}", [this]() -> std::string { std::string result; for (const auto& species : m_activeSpecies) { result += std::string(species.name()) + ", "; } if (!result.empty()) { result.pop_back(); // Remove last space result.pop_back(); // Remove last comma } return result; }()); LOG_TRACE_L3(m_logger, "Active reactions: {}", [this]() -> std::string { std::string result; for (const auto& reaction : m_activeReactions) { result += std::string(reaction.id()) + ", "; } if (!result.empty()) { result.pop_back(); // Remove last space result.pop_back(); // Remove last comma } return result; }()); m_speciesIndexMap = constructSpeciesIndexMap(); m_reactionIndexMap = constructReactionIndexMap(); m_isStale = false; } //////////////////////////////////////////// /// FileDefinedEngineView Implementation /// ///////////////////////////////////////////// FileDefinedEngineView::FileDefinedEngineView( DynamicEngine &baseEngine, const std::string &fileName, const io::NetworkFileParser &parser ): DefinedEngineView(parser.parse(fileName), baseEngine), m_fileName(fileName), m_parser(parser) {} }