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fix(weakRates): major progress in resolving bugs

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bigs were introduced by the interface change from accepting raw molar abundance vectors to using the composition vector. This commit resolves many of these, including preformant ways to report that a species is not present in the composition and unified index lookups using composition object tooling.

BREAKING CHANGE:
This commit is contained in:
Emily Boudreaux
2025-10-10 09:12:40 -04:00
parent 13e2ea9ffa
commit 2f1077c02d
21 changed files with 17953 additions and 375 deletions
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85
src/lib/engine/procedures/construction.cpp
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@@ -25,10 +25,11 @@ namespace gridfire {
ReactionSet build_nuclear_network(
const Composition& composition,
const rates::weak::WeakRateInterpolator& weak_interpolator,
BuildDepthType maxLayers,
bool reverse_reaclib) {
const Composition& composition,
const rates::weak::WeakRateInterpolator& weakInterpolator,
BuildDepthType maxLayers,
bool reverse
) {
int depth;
if (std::holds_alternative<NetworkBuildDepth>(maxLayers)) {
depth = static_cast<int>(std::get<NetworkBuildDepth>(maxLayers));
@@ -47,40 +48,52 @@ namespace gridfire {
// Clone all relevant REACLIB reactions into the master pool
const auto& allReaclibReactions = reaclib::get_all_reaclib_reactions();
for (const auto& reaction : allReaclibReactions) {
if (reaction->is_reverse() == reverse_reaclib) {
if (reaction->is_reverse() == reverse) {
master_reaction_pool.add_reaction(reaction->clone());
}
}
for (const auto& parent_species: weak_interpolator.available_isotopes()) {
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::BETA_PLUS_DECAY,
weak_interpolator
)
for (const auto& parent_species: weakInterpolator.available_isotopes()) {
std::expected<Species, fourdst::atomic::SpeciesErrorType> upProduct = fourdst::atomic::az_to_species(
parent_species.a(),
parent_species.z() + 1
);
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::BETA_MINUS_DECAY,
weak_interpolator
)
);
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::ELECTRON_CAPTURE,
weak_interpolator
)
);
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::POSITRON_CAPTURE,
weak_interpolator
)
std::expected<Species, fourdst::atomic::SpeciesErrorType> downProduct = fourdst::atomic::az_to_species(
parent_species.a(),
parent_species.z() - 1
);
if (downProduct.has_value()) { // Only add the reaction if the Species map contains the product
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::BETA_PLUS_DECAY,
weakInterpolator
)
);
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::ELECTRON_CAPTURE,
weakInterpolator
)
);
}
if (upProduct.has_value()) { // Only add the reaction if the Species map contains the product
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::BETA_MINUS_DECAY,
weakInterpolator
)
);
master_reaction_pool.add_reaction(
std::make_unique<rates::weak::WeakReaction>(
parent_species,
rates::weak::WeakReactionType::POSITRON_CAPTURE,
weakInterpolator
)
);
}
}
// --- Step 2: Use non-owning raw pointers for the fast build algorithm ---
@@ -140,7 +153,13 @@ namespace gridfire {
break;
}
LOG_TRACE_L1(logger, "Layer {}: Collected {} new reactions. New products this layer: {}", collectedReactionPtrs.size() - collectedReactionPtrs.size(), newProductsThisLayer.size());
LOG_TRACE_L1(
logger,
"Layer {}: Collected {} new reactions. New products this layer: {}",
layer,
collectedReactionPtrs.size() - collectedReactionPtrs.size(),
newProductsThisLayer.size()
);
availableSpecies.insert(newProductsThisLayer.begin(), newProductsThisLayer.end());
remainingReactions = std::move(reactionsForNextPass);
}