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fix(MultiscalePartitioningEngineView): made qse partitioning much more robust

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Emily Boudreaux
2025-07-16 12:14:02 -04:00
parent 18f9e13107
commit 1f7e765671
5 changed files with 860 additions and 279 deletions
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23
tests/graphnet_sandbox/main.cpp
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@@ -71,22 +71,27 @@ int main() {
NetIn netIn;
netIn.composition = composition;
netIn.temperature = 1.5e6;
netIn.temperature = 1.5e7;
netIn.density = 1.5e3;
netIn.energy = 0;
netIn.tMax = 3e17;
netIn.dt0 = 1e-12;
GraphEngine ReaclibEngine(composition, partitionFunction, NetworkBuildDepth::SecondOrder);
ReaclibEngine.exportToDot("GraphEngine.dot");
auto primedReport = ReaclibEngine.primeEngine(netIn);
std::cout << primedReport << std::endl;
std::cout << "Initial Composition\n";
for (const auto& [symbol, entry] : netIn.composition) {
std::cout << "\t" << symbol << ": " << entry.mass_fraction() << "\n";
if (!primedReport.success) {
LOG_CRITICAL(logger, "Failed to prime the network!");
return 1;
}
std::cout << "\nPrimed Composition\n";
for (const auto& [symbol, entry] : primedReport.primedComposition) {
std::cout << "\t" << symbol << ": " << entry.mass_fraction() << "\n";
}
NetIn primedNetIn = netIn;
primedNetIn.composition = primedReport.primedComposition;
std::cout << primedReport.primedComposition << std::endl;
MultiscalePartitioningEngineView partitioningView(ReaclibEngine);
fourdst::composition::Composition qseComp = partitioningView.equilibrateNetwork(primedNetIn);
std::cout << qseComp.getMolarAbundance("H-2") / qseComp.getMolarAbundance("H-1") << std::endl;
}