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feat(weak): major weak rate progress

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Major weak rate progress which includes: A refactor of many of the public interfaces for GridFire Engines to use composition objects as opposed to raw abundance vectors. This helps prevent index mismatch errors. Further, the weak reaction class has been expanded with the majority of an implimentation, including an atomic_base derived class to allow for proper auto diff tracking of the interpolated table results. Some additional changes are that the version of fourdst and libcomposition have been bumped to versions with smarter caching of intermediate vectors and a few bug fixes.
This commit is contained in:
Emily Boudreaux
2025-10-07 15:16:03 -04:00
parent 4f1c260444
commit 8a0b5b2c36
53 changed files with 2310 additions and 1759 deletions
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106
src/lib/engine/procedures/construction.cpp
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@@ -1,7 +1,11 @@
#include "gridfire/engine/procedures/construction.h"
#include "gridfire/reaction/weak/weak_interpolator.h"
#include "gridfire/reaction/weak/weak.h"
#include "gridfire/reaction/weak/weak_types.h"
#include <ranges>
#include <stdexcept>
#include <memory>
#include "gridfire/reaction/reaction.h"
#include "gridfire/reaction/reaclib.h"
@@ -20,11 +24,11 @@ namespace gridfire {
using fourdst::atomic::Species;
ReactionSet build_reaclib_nuclear_network(
const Composition &composition,
BuildDepthType maxLayers,
bool reverse
) {
ReactionSet build_nuclear_network(
const Composition& composition,
const rates::weak::WeakRateInterpolator& weak_interpolator,
BuildDepthType maxLayers,
bool reverse_reaclib) {
int depth;
if (std::holds_alternative<NetworkBuildDepth>(maxLayers)) {
depth = static_cast<int>(std::get<NetworkBuildDepth>(maxLayers));
@@ -37,31 +41,71 @@ namespace gridfire {
throw std::logic_error("Network build depth is set to 0. No reactions will be collected.");
}
const auto& allReactions = reaclib::get_all_reaclib_reactions();
std::vector<Reaction*> remainingReactions;
for (const auto& reaction : allReactions) {
if (reaction->is_reverse() == reverse) {
remainingReactions.push_back(reaction.get());
// --- Step 1: Create a single master pool that owns all possible reactions ---
ReactionSet master_reaction_pool;
// 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) {
master_reaction_pool.add_reaction(reaction->clone());
}
}
if (depth == static_cast<int>(NetworkBuildDepth::Full)) {
LOG_INFO(logger, "Building full nuclear network with a total of {} reactions.", allReactions.size());
const ReactionSet reactionSet(remainingReactions);
return reactionSet;
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
)
);
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
)
);
}
// --- Step 2: Use non-owning raw pointers for the fast build algorithm ---
std::vector<Reaction*> remainingReactions;
remainingReactions.reserve(master_reaction_pool.size());
for(const auto& reaction : master_reaction_pool) {
remainingReactions.push_back(reaction.get());
}
if (depth == static_cast<int>(NetworkBuildDepth::Full)) {
LOG_INFO(logger, "Building full nuclear network with a total of {} reactions.", remainingReactions.size());
return master_reaction_pool; // No need to build layer by layer if we want the full network
}
// --- Step 3: Execute the layered network build using observing pointers ---
std::unordered_set<Species> availableSpecies;
for (const auto &entry: composition | std::views::values) {
for (const auto& entry : composition | std::views::values) {
if (entry.mass_fraction() > 0.0) {
availableSpecies.insert(entry.isotope());
}
}
std::vector<Reaction*> collectedReactions;
std::vector<Reaction*> collectedReactionPtrs;
LOG_INFO(logger, "Starting network construction with {} available species.", availableSpecies.size());
for (int layer = 0; layer < depth && !remainingReactions.empty(); ++layer) {
LOG_TRACE_L1(logger, "Collecting reactions for layer {} with {} remaining reactions. Currently there are {} available species", layer, remainingReactions.size(), availableSpecies.size());
std::vector<Reaction*> reactionsForNextPass;
@@ -70,7 +114,7 @@ namespace gridfire {
reactionsForNextPass.reserve(remainingReactions.size());
for (const auto &reaction : remainingReactions) {
for (Reaction* reaction : remainingReactions) {
bool allReactantsAvailable = true;
for (const auto& reactant : reaction->reactants()) {
if (!availableSpecies.contains(reactant)) {
@@ -80,7 +124,7 @@ namespace gridfire {
}
if (allReactantsAvailable) {
collectedReactions.push_back(reaction);
collectedReactionPtrs.push_back(reaction);
newReactionsAdded = true;
for (const auto& product : reaction->products()) {
@@ -92,19 +136,29 @@ namespace gridfire {
}
if (!newReactionsAdded) {
LOG_INFO(logger, "No new reactions added in layer {}. Stopping network construction with {} reactions collected.", layer, collectedReactions.size());
LOG_INFO(logger, "No new reactions added in layer {}. Stopping network construction.", layer);
break;
}
LOG_TRACE_L1(logger, "Layer {}: Collected {} reactions. New products this layer: {}", layer, collectedReactions.size(), newProductsThisLayer.size());
LOG_TRACE_L1(logger, "Layer {}: Collected {} new reactions. New products this layer: {}", collectedReactionPtrs.size() - collectedReactionPtrs.size(), newProductsThisLayer.size());
availableSpecies.insert(newProductsThisLayer.begin(), newProductsThisLayer.end());
remainingReactions = std::move(reactionsForNextPass);
}
LOG_INFO(logger, "Network construction completed with {} reactions collected.", collectedReactions.size());
const ReactionSet reactionSet(collectedReactions);
return reactionSet;
// --- Step 4: Construct the final ReactionSet by moving ownership ---
LOG_INFO(logger, "Network construction completed. Assembling final set of {} reactions.", collectedReactionPtrs.size());
ReactionSet finalReactionSet;
std::unordered_set<Reaction*> collectedPtrSet(collectedReactionPtrs.begin(), collectedReactionPtrs.end());
for (auto& reaction_ptr : master_reaction_pool) {
if (reaction_ptr && collectedPtrSet.contains(reaction_ptr.get())) {
finalReactionSet.add_reaction(std::move(reaction_ptr));
}
}
return finalReactionSet;
}
}