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refactor(python/composition): updated python comp bindings to use register model

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This commit is contained in:
Emily Boudreaux
2025-05-05 12:00:40 -04:00
parent 6bcd9d2e69
commit 7df3481ff4
2 changed files with 35 additions and 28 deletions
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57
src/python/composition/bindings.cpp
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@@ -7,6 +7,8 @@
#include "composition.h"
#include "atomicSpecies.h"
#include "bindings.h"
namespace py = pybind11;
std::string sv_to_string(std::string_view sv) {
@@ -19,12 +21,8 @@ std::string get_ostream_str(const composition::Composition& comp) {
return oss.str();
}
PYBIND11_MODULE(fourdsse_bindings, m) { // Module name must match meson.build
m.doc() = "Python bindings for the 4DSSE project"; // Optional module docstring
auto comp_submodule = m.def_submodule("composition", "Bindings for the Composition module");
auto chem_submodule = m.def_submodule("species", "Bindings for the Chemical Species module");
void register_comp_bindings(pybind11::module &comp_submodule) {
// --- Bindings for composition and species module ---
py::class_<composition::GlobalComposition>(comp_submodule, "GlobalComposition")
.def_readonly("specificNumberDensity", &composition::GlobalComposition::specificNumberDensity)
@@ -135,28 +133,31 @@ PYBIND11_MODULE(fourdsse_bindings, m) { // Module name must match meson.build
return get_ostream_str(comp); // Use helper for C++ operator<<
});
// --- Bindings for species module ---
py::class_<chemSpecies::Species>(chem_submodule, "Species")
.def("mass", &chemSpecies::Species::mass, "Get atomic mass (amu)")
.def("massUnc", &chemSpecies::Species::massUnc, "Get atomic mass uncertainty (amu)")
.def("bindingEnergy", &chemSpecies::Species::bindingEnergy, "Get binding energy (keV/nucleon?)") // Check units
.def("betaDecayEnergy", &chemSpecies::Species::betaDecayEnergy, "Get beta decay energy (keV?)") // Check units
.def("betaCode", [](const chemSpecies::Species& s){ return sv_to_string(s.betaCode()); }, "Get beta decay code") // Convert string_view
.def("name", [](const chemSpecies::Species& s){ return sv_to_string(s.name()); }, "Get species name (e.g., 'H-1')") // Convert string_view
.def("el", [](const chemSpecies::Species& s){ return sv_to_string(s.el()); }, "Get element symbol (e.g., 'H')") // Convert string_view
.def("nz", &chemSpecies::Species::nz, "Get NZ value")
.def("n", &chemSpecies::Species::n, "Get neutron number N")
.def("z", &chemSpecies::Species::z, "Get proton number Z")
.def("a", &chemSpecies::Species::a, "Get mass number A")
.def("__repr__",
[](const chemSpecies::Species &s) {
std::ostringstream oss;
oss << s;
return oss.str();
});
chem_submodule.attr("species") = py::cast(chemSpecies::species); // Expose the species map
}
}
void register_species_bindings(pybind11::module &chem_submodule) {
// --- Bindings for species module ---
py::class_<chemSpecies::Species>(chem_submodule, "Species")
.def("mass", &chemSpecies::Species::mass, "Get atomic mass (amu)")
.def("massUnc", &chemSpecies::Species::massUnc, "Get atomic mass uncertainty (amu)")
.def("bindingEnergy", &chemSpecies::Species::bindingEnergy, "Get binding energy (keV/nucleon?)") // Check units
.def("betaDecayEnergy", &chemSpecies::Species::betaDecayEnergy, "Get beta decay energy (keV?)") // Check units
.def("betaCode", [](const chemSpecies::Species& s){ return sv_to_string(s.betaCode()); }, "Get beta decay code") // Convert string_view
.def("name", [](const chemSpecies::Species& s){ return sv_to_string(s.name()); }, "Get species name (e.g., 'H-1')") // Convert string_view
.def("el", [](const chemSpecies::Species& s){ return sv_to_string(s.el()); }, "Get element symbol (e.g., 'H')") // Convert string_view
.def("nz", &chemSpecies::Species::nz, "Get NZ value")
.def("n", &chemSpecies::Species::n, "Get neutron number N")
.def("z", &chemSpecies::Species::z, "Get proton number Z")
.def("a", &chemSpecies::Species::a, "Get mass number A")
.def("__repr__",
[](const chemSpecies::Species &s) {
std::ostringstream oss;
oss << s;
return oss.str();
});
chem_submodule.attr("species") = py::cast(chemSpecies::species); // Expose the species map
}

6
src/python/composition/bindings.h Normal file
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@@ -0,0 +1,6 @@
#pragma once
#include <pybind11/pybind11.h>
void register_comp_bindings(pybind11::module &m);
void register_species_bindings(pybind11::module &m);