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fix(python-bindings): Updated python bindings to new interface

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The python bindings now work with the polymorphic reaction class and the CVODE solver
This commit is contained in:
Emily Boudreaux
2025-10-30 15:05:08 -04:00
parent 23df87f915
commit 7fded59814
27 changed files with 962 additions and 255 deletions
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12
src/include/gridfire/utils/general_composition.h
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@@ -2,6 +2,8 @@
#include "fourdst/composition/composition.h"
#include "fourdst/composition/atomicSpecies.h"
#include <ranges>
namespace gridfire::utils {
inline double massFractionFromMolarAbundanceAndComposition (
const fourdst::composition::Composition& composition,
@@ -65,10 +67,14 @@ namespace gridfire::utils {
inline std::vector<double> molarMassVectorFromComposition(
const fourdst::composition::Composition& composition
) {
std::vector<double> molarMassVector;
molarMassVector.reserve(composition.getRegisteredSymbols().size());
std::map<fourdst::atomic::Species, double> molarMassMap;
for (const auto &entry: composition | std::views::values) {
molarMassVector.push_back(entry.isotope().mass());
molarMassMap.emplace(entry.isotope(), entry.isotope().mass());
}
std::vector<double> molarMassVector;
molarMassVector.reserve(molarMassMap.size());
for (const auto molarMass : molarMassMap | std::views::values) {
molarMassVector.push_back(molarMass);
}
return molarMassVector;
}