feat(python): added robust python bindings covering the entire codebase

2025-07-23 16:26:30 -04:00
parent 6a22cb65b8
commit f20bffc411
134 changed files with 2202 additions and 170 deletions
--- a/src/include/gridfire/network.h
+++ b/src/include/gridfire/network.h
@@ -0,0 +1,108 @@
+/* ***********************************************************************
+//
+//   Copyright (C) 2025 -- The 4D-STAR Collaboration
+//   File Authors: Emily Boudreaux, Aaron Dotter
+//   Last Modified: March 21, 2025
+//
+//   4DSSE is free software; you can use it and/or modify
+//   it under the terms and restrictions the GNU General Library Public
+//   License version 3 (GPLv3) as published by the Free Software Foundation.
+//
+//   4DSSE is distributed in the hope that it will be useful,
+//   but WITHOUT ANY WARRANTY; without even the implied warranty of
+//   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
+//   See the GNU Library General Public License for more details.
+//
+//   You should have received a copy of the GNU Library General Public License
+//   along with this software; if not, write to the Free Software
+//   Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+//
+// *********************************************************************** */
+#pragma once
+
+#include <vector>
+
+#include "fourdst/logging/logging.h"
+#include "fourdst/config/config.h"
+#include "fourdst/composition/species.h"
+#include "fourdst/composition/composition.h"
+#include "fourdst/constants/const.h"
+
+#include "gridfire/reaction/reaction.h"
+
+#include "quill/Logger.h"
+
+#include <unordered_map>
+
+
+namespace gridfire {
+
+
+    enum NetworkFormat {
+        APPROX8, ///< Approx8 nuclear reaction network format.
+        REACLIB, ///< General REACLIB nuclear reaction network format.
+        UNKNOWN,
+    };
+
+    static inline std::unordered_map<NetworkFormat, std::string> FormatStringLookup = {
+        {APPROX8, "Approx8"},
+        {REACLIB, "REACLIB"},
+        {UNKNOWN, "Unknown"}
+    };
+
+    struct NetIn {
+        fourdst::composition::Composition composition; ///< Composition of the network
+        double tMax; ///< Maximum time
+        double dt0; ///< Initial time step
+        double temperature; ///< Temperature in Kelvin
+        double density; ///< Density in g/cm^3
+        double energy; ///< Energy in ergs
+        double culling = 0.0; ///< Culling threshold for reactions (default is 0.0, meaning no culling)
+
+        std::vector<double> MolarAbundance() const;
+    };
+
+    struct NetOut {
+        fourdst::composition::Composition composition; ///< Composition of the network after evaluation
+        int num_steps; ///< Number of steps taken in the evaluation
+        double energy; ///< Energy in ergs after evaluation
+
+        friend std::ostream& operator<<(std::ostream& os, const NetOut& netOut) {
+            os << "NetOut(composition=" << netOut.composition << ", num_steps=" << netOut.num_steps << ", energy=" << netOut.energy << ")";
+            return os;
+        }
+    };
+
+    class Network {
+        public:
+            explicit Network(const NetworkFormat format = NetworkFormat::APPROX8);
+            virtual ~Network() = default;
+
+            [[nodiscard]] NetworkFormat getFormat() const;
+            NetworkFormat setFormat(const NetworkFormat format);
+
+            /**
+             * @brief Evaluate the network based on the input parameters.
+             * 
+             * @param netIn Input parameters for the network evaluation.
+             * @return NetOut Output results from the network evaluation.
+             */
+            virtual NetOut evaluate(const NetIn &netIn) = 0;
+
+            virtual bool isStiff() const { return m_stiff; }
+            virtual void setStiff(const bool stiff) { m_stiff = stiff; }
+
+        protected:
+            fourdst::config::Config& m_config; ///< Configuration instance
+            fourdst::logging::LogManager& m_logManager; ///< Log manager instance
+            quill::Logger* m_logger; ///< Logger instance
+
+            NetworkFormat m_format; ///< Format of the network
+            fourdst::constant::Constants& m_constants;
+
+            bool m_stiff = false; ///< Flag indicating if the network is stiff
+    };
+
+
+
+} // namespace nuclearNetwork