Merge pull request #55 from tboudreaux/feature/pythonInterface/const

Constant Module Interface

build-python/meson.build

@@ -4,10 +4,13 @@ py_installation = import('python').find_installation('python3')
 py_mod = py_installation.extension_module(
     'fourdsse_bindings', # Name of the generated .so/.pyd file (without extension)
     sources: [
+        meson.project_source_root() + '/src/python/bindings.cpp',
         meson.project_source_root() + '/src/python/composition/bindings.cpp',
+        meson.project_source_root() + '/src/python/const/bindings.cpp',
     ],
     dependencies : [
         pybind11_dep,
+        const_dep,
         composition_dep,
         species_weight_dep
     ],

src/const/public/const.h

@@ -18,13 +18,10 @@
 //   Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
 //
 // *********************************************************************** */
-#ifndef CONST_H
-#define CONST_H
+#pragma once
 
 #include <string>
-#include <fstream>
 #include <iostream>
-#include <vector>
 #include <set>
 #include <map>
 
@@ -96,7 +93,7 @@ private:
 public:
 
   /**
-   * @brief get instance of constants singelton
+   * @brief get instance of constants singleton
    * @return instance of constants
    */
   static Constants& getInstance() {
@@ -108,7 +105,7 @@ public:
    * @brief Check if constants are loaded.
    * @return True if constants are loaded, false otherwise.
    */
-  bool isLoaded() { return loaded_; }
+  bool isLoaded() const { return loaded_; }
 
   /**
    * @brief Get a constant by key.
@@ -139,5 +136,3 @@ public:
   std::set<std::string> keys() const;
 
 };
-
-#endif

src/python/bindings.cpp

@@ -0,0 +1,16 @@
+#include <pybind11/pybind11.h>
+
+#include <string>
+
+#include "const/bindings.h"
+#include "composition/bindings.h"
+
+PYBIND11_MODULE(fourdsse_bindings, m) {
+    m.doc() = "Python bindings for the 4DSSE project";
+
+    auto compMod  = m.def_submodule("composition", "Composition-module bindings");
+    register_comp_bindings(compMod);
+
+    auto constMod = m.def_submodule("constants", "Constants-module bindings");
+    register_const_bindings(constMod);
+}

src/python/composition/bindings.cpp

@@ -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
+}

src/python/composition/bindings.h

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

src/python/composition/meson.build

@@ -1,5 +1,6 @@
 # Define the library
 bindings_sources = files('bindings.cpp')
+bindings_headers = files('bindings.h')
 
 dependencies = [
     composition_dep,
@@ -8,9 +9,10 @@ dependencies = [
     pybind11_dep,
 ]
 
-libPYcomposition = shared_module('py_composition',
-                                bindings_sources,
-                                cpp_args: ['-fvisibility=default'],
-                                install : true,
-                                dependencies: dependencies,
-)
+shared_module('py_composition',
+    bindings_sources,
+    cpp_args: ['-fvisibility=default'],
+    install : true,
+    dependencies: dependencies,
+    include_directories: include_directories('.')
+)

src/python/const/bindings.cpp

@@ -0,0 +1,39 @@
+#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 <string>
+#include "const.h"
+#include "bindings.h"
+
+namespace py = pybind11;
+
+
+void register_const_bindings(pybind11::module &const_submodule) {
+    py::class_<Constant>(const_submodule, "Constant")
+        .def_readonly("name", &Constant::name)
+        .def_readonly("value", &Constant::value)
+        .def_readonly("uncertainty", &Constant::uncertainty)
+        .def_readonly("unit", &Constant::unit)
+        .def_readonly("reference", &Constant::reference)
+        .def("__repr__", [](const Constant &c) {
+            return "<Constant(name='" + c.name + "', value=" + std::to_string(c.value) +
+                   ", uncertainty=" + std::to_string(c.uncertainty) +
+                   ", unit='" + c.unit + "')>";
+        });
+
+    py::class_<Constants>(const_submodule, "Constants")
+        .def_property_readonly("loaded", &Constants::isLoaded)
+        .def("get", &Constants::get, py::arg("name"), "Get a constant by name. Returns None if not found.")
+        .def("__getitem__", &Constants::get, py::arg("name"))
+        .def("has", &Constants::has, py::arg("name"), "Check if a constant exists by name.")
+        .def("keys", &Constants::keys, "Get a list of all constant names.")
+        .def(py::init([]() {
+            return &Constants::getInstance();
+            }),
+            // Tell pybind11 Python doesn't own this memory.
+            py::return_value_policy::reference,
+            "Get the singleton instance of Constants."
+        );
+
+}

src/python/const/bindings.h

@@ -0,0 +1,5 @@
+#pragma once
+
+#include <pybind11/pybind11.h>
+
+void register_const_bindings(pybind11::module &const_submodule);

src/python/const/meson.build

@@ -0,0 +1,17 @@
+# Define the library
+bindings_sources = files('bindings.cpp')
+bindings_headers = files('bindings.h')
+
+dependencies = [
+    const_dep,
+    python3_dep,
+    pybind11_dep,
+]
+
+shared_module('py_const',
+    bindings_sources,
+    include_directories: include_directories('.'),
+    cpp_args: ['-fvisibility=default'],
+    install : true,
+    dependencies: dependencies,
+)

src/python/meson.build

@@ -1 +1,2 @@
-subdir('composition')
+subdir('composition')
+subdir('const')