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perf(precomputation): cleaned up allocations

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recovered about 5% execution time
This commit is contained in:
Emily Boudreaux
2025-12-02 13:09:19 -05:00
parent ed2c1d5816
commit d852ee43fe
4 changed files with 26 additions and 11 deletions
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14
src/include/gridfire/engine/engine_graph.h
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@@ -753,6 +753,14 @@ namespace gridfire::engine {
[[nodiscard]]
SpeciesStatus getSpeciesStatus(const fourdst::atomic::Species &species) const override;
[[nodiscard]] bool get_store_intermediate_reaction_contributions() const {
return m_store_intermediate_reaction_contributions;
}
void set_store_intermediate_reaction_contributions(const bool value) {
m_store_intermediate_reaction_contributions = value;
}
private:
struct PrecomputedReaction {
@@ -879,6 +887,7 @@ namespace gridfire::engine {
bool m_usePrecomputation = true; ///< Flag to enable or disable using precomputed reactions for efficiency. Mathematically, this should not change the results. Generally end users should not need to change this.
bool m_useReverseReactions = true; ///< Flag to enable or disable reverse reactions. If false, only forward reactions are considered.
bool m_store_intermediate_reaction_contributions = false; ///< Flag to enable or disable storing intermediate reaction contributions for debugging.
BuildDepthType m_depth;
@@ -1207,7 +1216,10 @@ namespace gridfire::engine {
const T nu_ij = static_cast<T>(reaction.stoichiometry(species));
const T dydt_increment = threshold_flag * molarReactionFlow * nu_ij;
dydt_vec[speciesIdx] += dydt_increment;
result.reactionContributions[species][std::string(reaction.id())] = dydt_increment;
if (m_store_intermediate_reaction_contributions) {
result.reactionContributions.value()[species][std::string(reaction.id())] = dydt_increment;
}
}
}