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feat(libcomposition): version bump to libcomposition 1.8.0

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bumped version to libcomposition version with proper Ye handling and fixed conversion from number fraction to mass fraction
This commit is contained in:
Emily Boudreaux
2025-10-06 14:40:22 -04:00
parent 92829b2367
commit e9838d1373
4 changed files with 6 additions and 10 deletions
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10
src-pybind/composition/bindings.cpp
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@@ -1,6 +1,6 @@
#include <pybind11/pybind11.h>
#include <pybind11/stl.h> // Needed for vectors, maps, sets, strings
#include <pybind11/stl_bind.h> // Needed for binding std::vector, std::map etc if needed directly
#include <pybind11/stl_bind.h> // Needed for binding std::vector, std::map etc. if needed directly
#include <string>
@@ -29,7 +29,7 @@ void register_comp_bindings(const pybind11::module &comp_submodule) {
.def_readonly("X", &fourdst::composition::CanonicalComposition::X)
.def_readonly("Y", &fourdst::composition::CanonicalComposition::Y)
.def_readonly("Z", &fourdst::composition::CanonicalComposition::Z)
.def("__repr__", // Add a string representation for easy printing in Python)
.def("__repr__", // Add a string representation for easy printing in Python
[](const fourdst::composition::CanonicalComposition &cc) {
return "<CanonicalComposition(X=" + std::to_string(cc.X) +
", Y=" + std::to_string(cc.Y) +
@@ -51,10 +51,6 @@ void register_comp_bindings(const pybind11::module &comp_submodule) {
.def("mass_fraction",
py::overload_cast<>(&fourdst::composition::CompositionEntry::mass_fraction, py::const_),
"Gets the mass fraction of the species.")
.def("mass_fraction",
py::overload_cast<double>(&fourdst::composition::CompositionEntry::mass_fraction, py::const_),
py::arg("meanMolarMass"), // Name the argument in Python
"Gets the mass fraction of the species given the mean molar mass.")
.def("number_fraction",
py::overload_cast<>(&fourdst::composition::CompositionEntry::number_fraction, py::const_),
"Gets the number fraction of the species.")
@@ -194,7 +190,7 @@ void register_comp_bindings(const pybind11::module &comp_submodule) {
}
void register_species_bindings(pybind11::module &chem_submodule) {
void register_species_bindings(const pybind11::module &chem_submodule) {
// --- Bindings for species module ---
py::class_<fourdst::atomic::Species>(chem_submodule, "Species")
.def("mass", &fourdst::atomic::Species::mass, "Get atomic mass (amu)")