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feat(MultiscalePartitioningEngineView): added *much* more robust qse group identifiction and solving

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This commit is contained in:
Emily Boudreaux
2025-07-10 09:36:05 -04:00
parent 1ac6b451b8
commit 7012eb819a
23 changed files with 1863 additions and 378 deletions
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48
tests/graphnet_sandbox/main.cpp
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@@ -6,6 +6,8 @@
#include "gridfire/engine/views/engine_adaptive.h"
#include "gridfire/partition/partition_types.h"
#include "gridfire/engine/views/engine_defined.h"
#include "gridfire/engine/views/engine_multiscale.h"
#include "gridfire/engine/procedures/priming.h"
#include "gridfire/io/network_file.h"
#include "gridfire/solver/solver.h"
@@ -58,17 +60,25 @@ void quill_terminate_handler()
int main() {
g_previousHandler = std::set_terminate(quill_terminate_handler);
quill::Logger* logger = fourdst::logging::LogManager::getInstance().getLogger("log");
logger->set_log_level(quill::LogLevel::TraceL2);
logger->set_log_level(quill::LogLevel::TraceL1);
LOG_DEBUG(logger, "Starting Adaptive Engine View Example...");
using namespace gridfire;
const std::vector<double> comp = {0.708, 0.0, 2.94e-5, 0.276, 0.003, 0.0011, 9.62e-3, 1.62e-3, 5.16e-4};
const std::vector<std::string> symbols = {"H-1", "H-2", "He-3", "He-4", "C-12", "N-14", "O-16", "Ne-20", "Mg-24"};
fourdst::composition::Composition composition;
composition.registerSymbol(symbols, true);
composition.setMassFraction(symbols, comp);
composition.finalize(true);
using partition::BasePartitionType;
const auto partitionFunction = partition::CompositePartitionFunction({
BasePartitionType::RauscherThielemann,
BasePartitionType::GroundState
});
GraphEngine ReaclibEngine(composition, partitionFunction);
NetIn netIn;
@@ -77,38 +87,30 @@ int main() {
netIn.density = 1e2;
netIn.energy = 0.0;
netIn.tMax = 3.1536e17;
netIn.tMax = 1; // 1 year in seconds
netIn.dt0 = 1e12;
NetOut netOut;
// netIn.dt0 = 1e12;
// approx8::Approx8Network approx8Network;
// measure_execution_time([&]() {
// netOut = approx8Network.evaluate(netIn);
// }, "Approx8 Network Initialization");
// std::cout << "Approx8 Network H-1: " << netOut.composition.getMassFraction("H-1") << " in " << netOut.num_steps << " steps." << std::endl;
using partition::BasePartitionType;
const auto partitionFunction = partition::CompositePartitionFunction({
BasePartitionType::RauscherThielemann,
BasePartitionType::GroundState
});
std::cout << "Partition Function for Mg-24: " << partitionFunction.evaluate(12, 24, 8) << std::endl;
std::cout << "Partition Function for F-23: " << partitionFunction.evaluate(9, 23, 8) << std::endl;
std::cout << "Partition Function for O-13: " << partitionFunction.evaluate(8, 13, 8) << std::endl;
netIn.dt0 = 1e-15;
GraphEngine ReaclibEngine(composition, partitionFunction);
std::cout << ReaclibEngine.getPartitionFunction().type() << std::endl;
const auto primedComposition = primeNetwork(netIn, ReaclibEngine);
netIn.composition = primedComposition;
netIn.composition.finalize(true);
MultiscalePartitioningEngineView multiscaleEngine(ReaclibEngine);
multiscaleEngine.equilibrateNetwork(netIn, 1e12);
// // std::cout << ReaclibEngine.getPartitionFunction().type() << std::endl;
// ReaclibEngine.setPrecomputation(true);
// // AdaptiveEngineView adaptiveEngine(ReaclibEngine);
// ReaclibEngine.setUseReverseReactions(false);
// // // AdaptiveEngineView adaptiveEngine(ReaclibEngine);
// io::SimpleReactionListFileParser parser{};
// FileDefinedEngineView approx8EngineView(ReaclibEngine, "approx8.net", parser);
// approx8EngineView.setScreeningModel(screening::ScreeningType::WEAK);
// solver::QSENetworkSolver solver(approx8EngineView);
// solver::DirectNetworkSolver solver(approx8EngineView);
// netOut = solver.evaluate(netIn);
// std::cout << netOut.composition << std::endl;
// measure_execution_time([&]() {
// netOut = solver.evaluate(netIn);