Emily Boudreaux
84ff182717
python hooks to make getting base composition more reliable; further, a number of small changes made to aid in my analysis in response to ref report 1
372 lines
15 KiB
C++
372 lines
15 KiB
C++
#pragma once
|
|
|
|
#include "gridfire/engine/views/engine_view_abstract.h"
|
|
#include "gridfire/engine/engine_abstract.h"
|
|
#include "gridfire/engine/engine_graph.h"
|
|
#include "gridfire/io/network_file.h"
|
|
#include "gridfire/types/types.h"
|
|
|
|
#include "gridfire/config/config.h"
|
|
|
|
#include "gridfire/engine/scratchpads/blob.h"
|
|
|
|
#include "fourdst/config/config.h"
|
|
#include "fourdst/logging/logging.h"
|
|
|
|
#include "quill/Logger.h"
|
|
|
|
#include <string>
|
|
|
|
namespace gridfire::engine {
|
|
class DefinedEngineView : public DynamicEngine, public EngineView<DynamicEngine> {
|
|
public:
|
|
DefinedEngineView(const std::vector<std::string>& peNames, GraphEngine& baseEngine);
|
|
|
|
/** @brief Get the base engine associated with this defined engine view.
|
|
* @return A const reference to the base DynamicEngine.
|
|
*/
|
|
[[nodiscard]] 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.
|
|
*/
|
|
[[nodiscard]] const std::vector<fourdst::atomic::Species>& getNetworkSpecies(
|
|
scratch::StateBlob& ctx
|
|
) const override;
|
|
|
|
// --- DynamicEngine Interface ---
|
|
/**
|
|
* @brief Calculates the right-hand side (dY/dt) and energy generation for the active species.
|
|
*
|
|
* @param comp A Composition object containing the current composition of the system
|
|
* @param T9 The temperature in units of 10^9 K.
|
|
* @param rho The density in g/cm^3.
|
|
* @param trust
|
|
* @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()`).
|
|
*/
|
|
[[nodiscard]] std::expected<StepDerivatives<double>, EngineStatus> calculateRHSAndEnergy(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
double rho,
|
|
bool trust
|
|
) const override;
|
|
|
|
[[nodiscard]] EnergyDerivatives calculateEpsDerivatives(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
double rho
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Generates the Jacobian matrix for the active species.
|
|
*
|
|
* @param comp A Composition object containing the current composition of the system
|
|
* @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.
|
|
*/
|
|
[[nodiscard]] NetworkJacobian generateJacobianMatrix(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
double rho
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Generates the Jacobian matrix for the active species.
|
|
*
|
|
* @param comp A Composition object containing the current composition of the system
|
|
* @param T9 The temperature in units of 10^9 K.
|
|
* @param rho The density in g/cm^3.
|
|
* @param activeSpecies The vector of active species to include in the Jacobian.
|
|
*
|
|
* @throws std::runtime_error If the view is stale.
|
|
*/
|
|
[[nodiscard]] NetworkJacobian generateJacobianMatrix(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
double rho,
|
|
const std::vector<fourdst::atomic::Species> &activeSpecies
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Generates the Jacobian matrix for a given sparsity pattern
|
|
*
|
|
* @param comp A Composition object containing the current composition of the system
|
|
* @param T9 The temperature in units of 10^9 K.
|
|
* @param rho The density in g/cm^3.
|
|
* @param sparsityPattern The sparsity pattern to use for the Jacobian matrix.
|
|
*
|
|
* @throws std::runtime_error If the view is stale.
|
|
*/
|
|
[[nodiscard]] NetworkJacobian generateJacobianMatrix(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
double rho,
|
|
const SparsityPattern &sparsityPattern
|
|
) 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 comp A Composition object containing the current composition of the system
|
|
* @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.
|
|
*/
|
|
[[nodiscard]] double calculateMolarReactionFlow(
|
|
scratch::StateBlob& ctx,
|
|
const reaction::Reaction& reaction,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
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.
|
|
*/
|
|
[[nodiscard]] const reaction::ReactionSet& getNetworkReactions(
|
|
scratch::StateBlob& ctx
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Computes timescales for all active species in the network.
|
|
*
|
|
* @param comp A Composition object containing the current composition of the system
|
|
* @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>, EngineStatus>getSpeciesTimescales(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
double rho
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Computes destruction timescales for all active species in the network.
|
|
*
|
|
* @param comp A Composition object containing the current composition of the system
|
|
* @param T9 Temperature in units of 10^9 K.
|
|
* @param rho Density in g/cm^3.
|
|
* @return Map from Species to their destruction timescales (s).
|
|
*
|
|
* @throws std::runtime_error If the view is stale.
|
|
*/
|
|
[[nodiscard]] std::expected<std::unordered_map<fourdst::atomic::Species, double>, EngineStatus> getSpeciesDestructionTimescales(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
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 project(
|
|
scratch::StateBlob& ctx,
|
|
const NetIn &netIn
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Gets the screening model from the base engine.
|
|
*
|
|
* @return The current screening model type.
|
|
*/
|
|
[[nodiscard]] screening::ScreeningType getScreeningModel(
|
|
scratch::StateBlob& ctx
|
|
) const override;
|
|
|
|
/** @brief Maps a species from the full network to its index in the defined active network.
|
|
*
|
|
* @param species The species to map.
|
|
* @return The index of the species in the active network.
|
|
*
|
|
* @throws std::runtime_error If the species is not in the active set.
|
|
*/
|
|
[[nodiscard]] size_t getSpeciesIndex(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::atomic::Species &species
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Prime the engine view for calculations. This will delegate to the base engine.
|
|
* @param netIn The current network input.
|
|
* @return The PrimingReport from the base engine.
|
|
*/
|
|
[[nodiscard]] PrimingReport primeEngine(
|
|
scratch::StateBlob& ctx,
|
|
const NetIn &netIn
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Collects a Composition object from the base engine.
|
|
*
|
|
* @param comp The full Composition object.
|
|
* @param T9 The temperature in units of 10^9 K.
|
|
* @param rho The density in g/cm^3.
|
|
* @return A composition object representing the state of the engine stack and the current view.
|
|
*/
|
|
[[nodiscard]] fourdst::composition::Composition collectComposition(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::composition::CompositionAbstract &comp,
|
|
double T9,
|
|
double rho
|
|
) const override;
|
|
|
|
/**
|
|
* @brief Gets the status of a species in the active network.
|
|
*
|
|
* @param species The species for which to get the status.
|
|
* @return The SpeciesStatus indicating if the species is active, inactive, or not present.
|
|
*/
|
|
[[nodiscard]] SpeciesStatus getSpeciesStatus(
|
|
scratch::StateBlob& ctx,
|
|
const fourdst::atomic::Species &species
|
|
) const override;
|
|
|
|
[[nodiscard]] std::optional<StepDerivatives<double>>getMostRecentRHSCalculation(
|
|
scratch::StateBlob &ctx
|
|
) const override;
|
|
|
|
[[nodiscard]] std::unique_ptr<scratch::StateBlob> constructStateBlob(const scratch::StateBlob *blob) const override;
|
|
|
|
protected:
|
|
bool m_isStale = true;
|
|
GraphEngine& m_baseEngine;
|
|
private:
|
|
quill::Logger* m_logger = LogManager::getInstance().getLogger("log"); ///< Logger instance for trace and debug information.
|
|
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.
|
|
*/
|
|
[[nodiscard]] std::vector<size_t> constructSpeciesIndexMap(
|
|
scratch::StateBlob& ctx
|
|
) 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.
|
|
*/
|
|
[[nodiscard]] std::vector<size_t> constructReactionIndexMap(
|
|
scratch::StateBlob& ctx
|
|
) 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.
|
|
*/
|
|
[[nodiscard]] std::vector<double> mapViewToFull(
|
|
scratch::StateBlob& ctx,
|
|
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.
|
|
*/
|
|
[[nodiscard]] static std::vector<double> mapFullToView(
|
|
scratch::StateBlob& ctx,
|
|
const std::vector<double>& full
|
|
);
|
|
|
|
/**
|
|
* @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.
|
|
*/
|
|
[[nodiscard]] size_t mapViewToFullSpeciesIndex(
|
|
scratch::StateBlob& ctx,
|
|
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.
|
|
*/
|
|
[[nodiscard]] size_t mapViewToFullReactionIndex(
|
|
scratch::StateBlob& ctx,
|
|
size_t definedReactionIndex
|
|
) const;
|
|
|
|
void collect(
|
|
scratch::StateBlob& ctx,
|
|
const std::vector<std::string>& peNames
|
|
) const;
|
|
};
|
|
|
|
class FileDefinedEngineView final: public DefinedEngineView {
|
|
public:
|
|
explicit FileDefinedEngineView(
|
|
GraphEngine& baseEngine,
|
|
const std::string& fileName,
|
|
const io::NetworkFileParser& parser
|
|
);
|
|
[[nodiscard]] std::string getNetworkFile() const { return m_fileName; }
|
|
[[nodiscard]] const io::NetworkFileParser& getParser() const { return m_parser; }
|
|
|
|
|
|
|
|
private:
|
|
Config<config::GridFireConfig> m_config;
|
|
|
|
quill::Logger* m_logger = LogManager::getInstance().getLogger("log");
|
|
std::string m_fileName;
|
|
///< Parser for the network file.
|
|
const io::NetworkFileParser& m_parser;
|
|
};
|
|
}
|