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feat(GridFire): Added a number of python hooks

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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
This commit is contained in:
Emily Boudreaux
2026-04-13 07:17:14 -04:00
parent 65297852e5
commit 84ff182717
44 changed files with 1676 additions and 2964 deletions
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48
src/include/gridfire/engine/engine_abstract.h
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@@ -8,6 +8,8 @@
#include "gridfire/engine/types/reporting.h"
#include "gridfire/engine/types/jacobian.h"
#include "gridfire/exceptions/error_engine.h"
#include "gridfire/engine/scratchpads/blob.h"
#include "fourdst/composition/composition_abstract.h"
@@ -183,6 +185,7 @@ namespace gridfire::engine {
/**
* @brief Generate the Jacobian matrix for the current state.
*
* @param ctx The scratchpad context for the current state.
* @param comp Composition object containing current abundances.
* @param T9 Temperature in units of 10^9 K.
* @param rho Density in g/cm^3.
@@ -200,6 +203,7 @@ namespace gridfire::engine {
/**
* @brief Generate the Jacobian matrix for the current state using a subset of active species.
*
* @param ctx The scratchpad context for the current state.
* @param comp Composition object containing current abundances.
* @param T9 Temperature in units of 10^9 K.
* @param rho Density in g/cm^3.
@@ -221,6 +225,7 @@ namespace gridfire::engine {
/**
* @brief Generate the Jacobian matrix for the current state with a specified sparsity pattern.
*
* @param ctx Get the scratchpad context for the current state.
* @param comp Composition object containing current abundances.
* @param T9 Temperature in units of 10^9 K.
* @param rho Density in g/cm^3.
@@ -245,6 +250,7 @@ namespace gridfire::engine {
/**
* @brief Calculate the molar reaction flow for a given reaction.
*
* @param ctx The scratchpad context for the current state.
* @param reaction The reaction for which to calculate the flow.
* @param comp Composition object containing current abundances.
* @param T9 Temperature in units of 10^9 K.
@@ -289,6 +295,39 @@ namespace gridfire::engine {
scratch::StateBlob& ctx
) const = 0;
/**
* @brief Get the set of inactive reactions in the network.
*
* @return ReactionSet containing all inactive reactions.
*
* By default, this method returns an empty set. Derived classes can override
* this method to provide the actual set of inactive reactions based on their
* internal logic (e.g., reaction flow culling, QSE partitioning).
*/
[[nodiscard]] virtual reaction::ReactionSet getInactiveNetworkReactions(
scratch::StateBlob &ctx
) const {
return reaction::ReactionSet{};
}
[[nodiscard]] virtual double getInactiveReactionMolarReactionFlow(
scratch::StateBlob& ctx,
const reaction::Reaction &reaction,
const fourdst::composition::CompositionAbstract &comp,
const double T9,
const double rho
) const {
std::string warning_msg = std::format(
"[GridFire Warning ({}, {}, {})]: Engine of type '{}' does not implement getInactiveReactionMolarReactionFlow. Returning 0.0 flow for reaction '{}'.",
__FILE__,
__LINE__,
__FUNCTION__,
typeid(*this).name(),
reaction.id()
);
return 0.0;
}
/**
* @brief Compute timescales for all species in the network.
@@ -311,6 +350,7 @@ namespace gridfire::engine {
/**
* @brief Compute destruction timescales for all species in the network.
*
* @param ctx The scratchpad context for the current state.
* @param comp Composition object containing current abundances.
* @param T9 Temperature in units of 10^9 K.
* @param rho Density in g/cm^3.
@@ -329,6 +369,7 @@ namespace gridfire::engine {
/**
* @brief Update the thread local scratch pad state of a network.
*
* @param ctx The scratchpad context for the current state.
* @param netIn A struct containing the current network input, such as
* temperature, density, and composition.
*
@@ -354,6 +395,8 @@ namespace gridfire::engine {
/**
* @brief Get the current electron screening model.
*
* @param ctx The scratchpad context for the current state.
*
* @return The currently active screening model type.
*
* @par Usage Example:
@@ -368,6 +411,7 @@ namespace gridfire::engine {
/**
* @brief Get the index of a species in the network.
*
* @param ctx The scratchpad context for the current state.
* @param species The species to look up.
*
* This method allows querying the index of a specific species in the
@@ -382,6 +426,7 @@ namespace gridfire::engine {
/**
* @brief Prime the engine with initial conditions.
*
* @param ctx The scratchpad context for the current state.
* @param netIn The input conditions for the network.
* @return PrimingReport containing information about the priming process.
*
@@ -403,6 +448,7 @@ namespace gridfire::engine {
* from each sub engine.
* @note It is up to each engine to decide how to handle filling in the return composition.
* @note These methods return an unfinalized composition which must then be finalized by the caller
* @param ctx The scratchpad context for the current state.
* @param comp Input composition to "normalize".
* @param T9
* @param rho
@@ -434,5 +480,7 @@ namespace gridfire::engine {
scratch::StateBlob& ctx
) const = 0;
[[nodiscard]] virtual std::unique_ptr<scratch::StateBlob> constructStateBlob(const scratch::StateBlob *blob) const = 0;
};
}