feat(python): added robust python bindings covering the entire codebase
This commit is contained in:
277
src/include/gridfire/engine/views/engine_defined.h
Normal file
277
src/include/gridfire/engine/views/engine_defined.h
Normal file
@@ -0,0 +1,277 @@
|
||||
#pragma once
|
||||
|
||||
#include "gridfire/engine/views/engine_view_abstract.h"
|
||||
#include "gridfire/engine/engine_abstract.h"
|
||||
#include "gridfire/io/network_file.h"
|
||||
#include "gridfire/network.h"
|
||||
|
||||
#include "fourdst/config/config.h"
|
||||
#include "fourdst/logging/logging.h"
|
||||
|
||||
#include "quill/Logger.h"
|
||||
|
||||
#include <string>
|
||||
|
||||
namespace gridfire{
|
||||
class DefinedEngineView : public DynamicEngine, public EngineView<DynamicEngine> {
|
||||
public:
|
||||
DefinedEngineView(const std::vector<std::string>& peNames, DynamicEngine& baseEngine);
|
||||
const DynamicEngine& getBaseEngine() const override;
|
||||
|
||||
// --- Engine Interface ---
|
||||
/**
|
||||
* @brief Gets the list of active species in the network defined by the file.
|
||||
* @return A const reference to the vector of active species.
|
||||
*/
|
||||
const std::vector<fourdst::atomic::Species>& getNetworkSpecies() const override;
|
||||
|
||||
// --- DynamicEngine Interface ---
|
||||
/**
|
||||
* @brief Calculates the right-hand side (dY/dt) and energy generation for the active species.
|
||||
*
|
||||
* @param Y_defined A vector of abundances for the active species.
|
||||
* @param T9 The temperature in units of 10^9 K.
|
||||
* @param rho The density in g/cm^3.
|
||||
* @return A StepDerivatives struct containing the derivatives of the active species and the
|
||||
* nuclear energy generation rate.
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale (i.e., `update()` has not been called after `setNetworkFile()`).
|
||||
*/
|
||||
std::expected<StepDerivatives<double>, expectations::StaleEngineError> calculateRHSAndEnergy(
|
||||
const std::vector<double>& Y_defined,
|
||||
const double T9,
|
||||
const double rho
|
||||
) const override;
|
||||
/**
|
||||
* @brief Generates the Jacobian matrix for the active species.
|
||||
*
|
||||
* @param Y_dynamic A vector of abundances for the active species.
|
||||
* @param T9 The temperature in units of 10^9 K.
|
||||
* @param rho The density in g/cm^3.
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale.
|
||||
*/
|
||||
void generateJacobianMatrix(
|
||||
const std::vector<double>& Y_dynamic,
|
||||
const double T9,
|
||||
const double rho
|
||||
) const override;
|
||||
/**
|
||||
* @brief Gets an entry from the Jacobian matrix for the active species.
|
||||
*
|
||||
* @param i_defined The row index (species index) in the defined matrix.
|
||||
* @param j_defined The column index (species index) in the defined matrix.
|
||||
* @return The value of the Jacobian matrix at (i_defined, j_defined).
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale.
|
||||
* @throws std::out_of_range If an index is out of bounds.
|
||||
*/
|
||||
double getJacobianMatrixEntry(
|
||||
const int i_defined,
|
||||
const int j_defined
|
||||
) const override;
|
||||
/**
|
||||
* @brief Generates the stoichiometry matrix for the active reactions and species.
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale.
|
||||
*/
|
||||
void generateStoichiometryMatrix() override;
|
||||
/**
|
||||
* @brief Gets an entry from the stoichiometry matrix for the active species and reactions.
|
||||
*
|
||||
* @param speciesIndex_defined The index of the species in the defined species list.
|
||||
* @param reactionIndex_defined The index of the reaction in the defined reaction list.
|
||||
* @return The stoichiometric coefficient for the given species and reaction.
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale.
|
||||
* @throws std::out_of_range If an index is out of bounds.
|
||||
*/
|
||||
int getStoichiometryMatrixEntry(
|
||||
const int speciesIndex_defined,
|
||||
const int reactionIndex_defined
|
||||
) const override;
|
||||
/**
|
||||
* @brief Calculates the molar reaction flow for a given reaction in the active network.
|
||||
*
|
||||
* @param reaction The reaction for which to calculate the flow.
|
||||
* @param Y_defined Vector of current abundances for the active species.
|
||||
* @param T9 Temperature in units of 10^9 K.
|
||||
* @param rho Density in g/cm^3.
|
||||
* @return Molar flow rate for the reaction (e.g., mol/g/s).
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale or if the reaction is not in the active set.
|
||||
*/
|
||||
double calculateMolarReactionFlow(
|
||||
const reaction::Reaction& reaction,
|
||||
const std::vector<double>& Y_defined,
|
||||
const double T9,
|
||||
const double rho
|
||||
) const override;
|
||||
/**
|
||||
* @brief Gets the set of active logical reactions in the network.
|
||||
*
|
||||
* @return Reference to the LogicalReactionSet containing all active reactions.
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale.
|
||||
*/
|
||||
const reaction::LogicalReactionSet& getNetworkReactions() const override;
|
||||
|
||||
void setNetworkReactions(const reaction::LogicalReactionSet& reactions) override;
|
||||
/**
|
||||
* @brief Computes timescales for all active species in the network.
|
||||
*
|
||||
* @param Y_defined Vector of current abundances for the active species.
|
||||
* @param T9 Temperature in units of 10^9 K.
|
||||
* @param rho Density in g/cm^3.
|
||||
* @return Map from Species to their characteristic timescales (s).
|
||||
*
|
||||
* @throws std::runtime_error If the view is stale.
|
||||
*/
|
||||
[[nodiscard]] std::expected<std::unordered_map<fourdst::atomic::Species, double>, expectations::StaleEngineError> getSpeciesTimescales(
|
||||
const std::vector<double>& Y_defined,
|
||||
const double T9,
|
||||
const double rho
|
||||
) const override;
|
||||
|
||||
[[nodiscard]] std::expected<std::unordered_map<fourdst::atomic::Species, double>, expectations::StaleEngineError> getSpeciesDestructionTimescales(
|
||||
const std::vector<double>& Y_defined,
|
||||
const double T9,
|
||||
const double rho
|
||||
) const override;
|
||||
|
||||
/**
|
||||
* @brief Updates the engine view if it is marked as stale.
|
||||
*
|
||||
* This method checks if the view is stale (e.g., after `setNetworkFile` was called).
|
||||
* If it is, it rebuilds the active network from the currently set file.
|
||||
* The `netIn` parameter is not used by this implementation but is required by the interface.
|
||||
*
|
||||
* @param netIn The current network input (unused).
|
||||
*
|
||||
* @post If the view was stale, it is rebuilt and is no longer stale.
|
||||
*/
|
||||
fourdst::composition::Composition update(const NetIn &netIn) override;
|
||||
|
||||
bool isStale(const NetIn& netIn) override;
|
||||
|
||||
/**
|
||||
* @brief Sets the screening model for the base engine.
|
||||
*
|
||||
* @param model The screening model to set.
|
||||
*/
|
||||
void setScreeningModel(screening::ScreeningType model) override;
|
||||
|
||||
/**
|
||||
* @brief Gets the screening model from the base engine.
|
||||
*
|
||||
* @return The current screening model type.
|
||||
*/
|
||||
[[nodiscard]] screening::ScreeningType getScreeningModel() const override;
|
||||
|
||||
[[nodiscard]] int getSpeciesIndex(const fourdst::atomic::Species &species) const override;
|
||||
|
||||
[[nodiscard]] std::vector<double> mapNetInToMolarAbundanceVector(const NetIn &netIn) const override;
|
||||
|
||||
[[nodiscard]] PrimingReport primeEngine(const NetIn &netIn) override;
|
||||
protected:
|
||||
bool m_isStale = true;
|
||||
DynamicEngine& m_baseEngine;
|
||||
private:
|
||||
quill::Logger* m_logger = fourdst::logging::LogManager::getInstance().getLogger("log"); ///< Logger instance for trace and debug information.
|
||||
///< Active species in the defined engine.
|
||||
std::vector<fourdst::atomic::Species> m_activeSpecies;
|
||||
///< Active reactions in the defined engine.
|
||||
reaction::LogicalReactionSet m_activeReactions;
|
||||
|
||||
///< Maps indices of active species to indices in the full network.
|
||||
std::vector<size_t> m_speciesIndexMap;
|
||||
///< Maps indices of active reactions to indices in the full network.
|
||||
std::vector<size_t> m_reactionIndexMap;
|
||||
private:
|
||||
/**
|
||||
* @brief Constructs the species index map.
|
||||
*
|
||||
* @return A vector mapping defined species indices to full species indices.
|
||||
*
|
||||
* This method creates a map from the indices of the active species to the indices of the
|
||||
* corresponding species in the full network.
|
||||
*
|
||||
* @throws std::runtime_error If an active species is not found in the base engine's species list.
|
||||
*/
|
||||
std::vector<size_t> constructSpeciesIndexMap() const;
|
||||
|
||||
/**
|
||||
* @brief Constructs the reaction index map.
|
||||
*
|
||||
* @return A vector mapping defined reaction indices to full reaction indices.
|
||||
*
|
||||
* This method creates a map from the indices of the active reactions to the indices of the
|
||||
* corresponding reactions in the full network.
|
||||
*
|
||||
* @throws std::runtime_error If an active reaction is not found in the base engine's reaction list.
|
||||
*/
|
||||
std::vector<size_t> constructReactionIndexMap() const;
|
||||
|
||||
/**
|
||||
* @brief Maps a vector of culled abundances to a vector of full abundances.
|
||||
*
|
||||
* @param defined A vector of abundances for the active species.
|
||||
* @return A vector of abundances for the full network, with the abundances of the active
|
||||
* species copied from the defined vector.
|
||||
*/
|
||||
std::vector<double> mapViewToFull(const std::vector<double>& defined) const;
|
||||
|
||||
/**
|
||||
* @brief Maps a vector of full abundances to a vector of culled abundances.
|
||||
*
|
||||
* @param full A vector of abundances for the full network.
|
||||
* @return A vector of abundances for the active species, with the abundances of the active
|
||||
* species copied from the full vector.
|
||||
*/
|
||||
std::vector<double> mapFullToView(const std::vector<double>& full) const;
|
||||
|
||||
/**
|
||||
* @brief Maps a culled species index to a full species index.
|
||||
*
|
||||
* @param definedSpeciesIndex The index of the species in the defined species list.
|
||||
* @return The index of the corresponding species in the full network.
|
||||
*
|
||||
* @throws std::out_of_range If the defined index is out of bounds for the species index map.
|
||||
*/
|
||||
size_t mapViewToFullSpeciesIndex(size_t definedSpeciesIndex) const;
|
||||
|
||||
/**
|
||||
* @brief Maps a culled reaction index to a full reaction index.
|
||||
*
|
||||
* @param definedReactionIndex The index of the reaction in the defined reaction list.
|
||||
* @return The index of the corresponding reaction in the full network.
|
||||
*
|
||||
* @throws std::out_of_range If the defined index is out of bounds for the reaction index map.
|
||||
*/
|
||||
size_t mapViewToFullReactionIndex(size_t definedReactionIndex) const;
|
||||
|
||||
void validateNetworkState() const;
|
||||
|
||||
void collect(const std::vector<std::string>& peNames);
|
||||
|
||||
};
|
||||
|
||||
class FileDefinedEngineView final: public DefinedEngineView {
|
||||
public:
|
||||
explicit FileDefinedEngineView(
|
||||
DynamicEngine& baseEngine,
|
||||
const std::string& fileName,
|
||||
const io::NetworkFileParser& parser
|
||||
);
|
||||
std::string getNetworkFile() const { return m_fileName; }
|
||||
const io::NetworkFileParser& getParser() const { return m_parser; }
|
||||
private:
|
||||
using Config = fourdst::config::Config;
|
||||
using LogManager = fourdst::logging::LogManager;
|
||||
Config& m_config = Config::getInstance();
|
||||
quill::Logger* m_logger = LogManager::getInstance().getLogger("log");
|
||||
std::string m_fileName;
|
||||
///< Parser for the network file.
|
||||
const io::NetworkFileParser& m_parser;
|
||||
};
|
||||
}
|
||||
Reference in New Issue
Block a user