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

src/lib/network.cpp

@@ -0,0 +1,80 @@
+/* ***********************************************************************
+//
+//   Copyright (C) 2025 -- The 4D-STAR Collaboration
+//   File Authors: Aaron Dotter, Emily Boudreaux
+//   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
+//
+// *********************************************************************** */
+#include "gridfire/network.h"
+#include "gridfire/reaction/reaclib.h"
+#include "gridfire/reaction/reaction.h"
+
+#include <ranges>
+
+#include "quill/LogMacros.h"
+
+namespace gridfire {
+    std::vector<double> NetIn::MolarAbundance() const {
+        std::vector <double> y;
+        y.reserve(composition.getRegisteredSymbols().size());
+        const auto [fst, snd] = composition.getComposition();
+        for (const auto &name: fst | std::views::keys) {
+            y.push_back(composition.getMolarAbundance(name));
+        }
+        return y;
+    }
+
+
+    Network::Network(const NetworkFormat format) :
+        m_config(fourdst::config::Config::getInstance()),
+        m_logManager(fourdst::logging::LogManager::getInstance()),
+        m_logger(m_logManager.getLogger("log")),
+        m_format(format),
+        m_constants(fourdst::constant::Constants::getInstance()){
+        if (format == NetworkFormat::UNKNOWN) {
+            LOG_ERROR(m_logger, "nuclearNetwork::Network::Network() called with UNKNOWN format");
+            m_logger->flush_log();
+            throw std::runtime_error("nuclearNetwork::Network::Network() called with UNKNOWN format");
+        }
+    }
+
+    NetworkFormat Network::getFormat() const {
+        return m_format;
+    }
+
+    NetworkFormat Network::setFormat(const NetworkFormat format) {
+        const NetworkFormat oldFormat = m_format;
+        m_format = format;
+        return oldFormat;
+    }
+
+    // Trim whitespace from both ends of a string
+    std::string trim_whitespace(const std::string& str) {
+        auto startIt = str.begin();
+        const auto endIt   = str.end();
+
+        while (startIt != endIt && std::isspace(static_cast<unsigned char>(*startIt))) {
+            ++startIt;
+        }
+        if (startIt == endIt) {
+            return "";
+        }
+        const auto ritr = std::find_if(str.rbegin(), std::string::const_reverse_iterator(startIt),
+                                 [](const unsigned char ch){ return !std::isspace(ch); });
+        return std::string(startIt, ritr.base());
+    }
+
+}