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feat(network): added half lifes, spin flip parity, better reaction acritecture

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This commit is contained in:
Emily Boudreaux
2025-06-29 14:53:39 -04:00
parent 2a410dc3fd
commit 29af4c3bab
14 changed files with 2270 additions and 637 deletions
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89
src/network/lib/network.cpp
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@@ -19,15 +19,25 @@
//
// *********************************************************************** */
#include "gridfire/network.h"
#include "gridfire/reactions.h"
#include "../include/gridfire/reaction/reaction.h"
#include "gridfire/reaction/reaclib.h"
#include "gridfire/reaction/reaction.h"
#include <ranges>
#include <fstream>
#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()),
@@ -36,6 +46,7 @@ namespace gridfire {
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");
}
}
@@ -50,17 +61,12 @@ namespace gridfire {
return oldFormat;
}
reaction::REACLIBLogicalReactionSet build_reaclib_nuclear_network(const fourdst::composition::Composition &composition, bool reverse) {
reaction::LogicalReactionSet build_reaclib_nuclear_network(const fourdst::composition::Composition &composition, bool reverse) {
using namespace reaction;
std::vector<reaction::REACLIBReaction> reaclibReactions;
std::vector<Reaction> reaclibReactions;
auto logger = fourdst::logging::LogManager::getInstance().getLogger("log");
if (!reaclib::s_initialized) {
LOG_DEBUG(logger, "REACLIB reactions not initialized. Calling initializeAllReaclibReactions()...");
reaclib::initializeAllReaclibReactions();
}
for (const auto &reaction: reaclib::s_all_reaclib_reactions | std::views::values) {
for (const auto &reaction: reaclib::get_all_reactions()) {
if (reaction.is_reverse() != reverse) {
continue; // Skip reactions that do not match the requested direction
}
@@ -77,8 +83,8 @@ namespace gridfire {
reaclibReactions.push_back(reaction);
}
}
const REACLIBReactionSet reactionSet(reaclibReactions);
return REACLIBLogicalReactionSet(reactionSet);
const ReactionSet reactionSet(reaclibReactions);
return LogicalReactionSet(reactionSet);
}
// Trim whitespace from both ends of a string
@@ -97,61 +103,4 @@ namespace gridfire {
return std::string(startIt, ritr.base());
}
reaction::REACLIBLogicalReactionSet build_reaclib_nuclear_network_from_file(const std::string& filename, bool reverse) {
const auto logger = fourdst::logging::LogManager::getInstance().getLogger("log");
std::vector<std::string> reactionPENames;
std::ifstream infile(filename, std::ios::in);
if (!infile.is_open()) {
LOG_ERROR(logger, "Failed to open network definition file: {}", filename);
throw std::runtime_error("Failed to open network definition file: " + filename);
}
std::string line;
while (std::getline(infile, line)) {
std::string trimmedLine = trim_whitespace(line);
if (trimmedLine.empty() || trimmedLine.starts_with('#')) {
continue; // Skip empty lines and comments
}
reactionPENames.push_back(trimmedLine);
}
infile.close();
std::vector<reaction::REACLIBReaction> reaclibReactions;
if (reactionPENames.empty()) {
LOG_ERROR(logger, "No reactions found in the network definition file: {}", filename);
throw std::runtime_error("No reactions found in the network definition file: " + filename);
}
if (!reaclib::s_initialized) {
LOG_DEBUG(logger, "REACLIB reactions not initialized. Calling initializeAllReaclibReactions()...");
reaclib::initializeAllReaclibReactions();
} else {
LOG_DEBUG(logger, "REACLIB reactions already initialized.");
}
for (const auto& peName : reactionPENames) {
bool found = false;
for (const auto& reaction : reaclib::s_all_reaclib_reactions | std::views::values) {
if (reaction.peName() == peName && reaction.is_reverse() == reverse) {
reaclibReactions.push_back(reaction);
found = true;
LOG_TRACE_L3(logger, "Found reaction {} (version {}) in REACLIB database.", peName, reaction.sourceLabel());
}
}
if (!found) {
LOG_ERROR(logger, "Reaction {} not found in REACLIB database. Skipping...", peName);
throw std::runtime_error("Reaction not found in REACLIB database.");
}
}
// Log any reactions that were not found in the REACLIB database
for (const auto& peName : reactionPENames) {
if (std::ranges::find(reaclibReactions, peName, &reaction::REACLIBReaction::peName) == reaclibReactions.end()) {
LOG_WARNING(logger, "Reaction {} not found in REACLIB database.", peName);
}
}
const reaction::REACLIBReactionSet reactionSet(reaclibReactions);
return reaction::REACLIBLogicalReactionSet(reactionSet);
}
}