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fix(weakRates): major progress in resolving bugs

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bigs were introduced by the interface change from accepting raw molar abundance vectors to using the composition vector. This commit resolves many of these, including preformant ways to report that a species is not present in the composition and unified index lookups using composition object tooling.

BREAKING CHANGE:
This commit is contained in:
Emily Boudreaux
2025-10-10 09:12:40 -04:00
parent 13e2ea9ffa
commit 2f1077c02d
21 changed files with 17953 additions and 375 deletions
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45
src/include/gridfire/exceptions/error_engine.h
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@@ -2,6 +2,7 @@
#include <exception>
#include <string>
#include <utility>
#include <vector>
namespace gridfire::exceptions {
@@ -17,41 +18,41 @@ namespace gridfire::exceptions {
int m_total_steps;
double m_eps_nuc;
};
explicit StaleEngineTrigger(const state &s)
: m_state(s) {}
explicit StaleEngineTrigger(state s)
: m_state(std::move(s)) {}
const char* what() const noexcept override{
[[nodiscard]] const char* what() const noexcept override{
return "Engine reports stale state. This means that the caller should trigger a update of the engine state before continuing with the integration. If you as an end user are seeing this error, it is likely a bug in the code that should be reported. Please provide the input parameters and the context in which this error occurred. Thank you for your help!";
}
state getState() const {
[[nodiscard]] state getState() const {
return m_state;
}
size_t numSpecies() const {
[[nodiscard]] size_t numSpecies() const {
return m_state.m_Y.size();
}
size_t totalSteps() const {
[[nodiscard]] size_t totalSteps() const {
return m_state.m_total_steps;
}
double energy() const {
[[nodiscard]] double energy() const {
return m_state.m_eps_nuc;
}
double getMolarAbundance(const size_t index) const {
[[nodiscard]] double getMolarAbundance(const size_t index) const {
if (index > m_state.m_Y.size() - 1) {
throw std::out_of_range("Index out of bounds for molar abundance vector.");
}
return m_state.m_Y[index];
}
double temperature() const {
[[nodiscard]] double temperature() const {
return m_state.m_T9 * 1e9; // Convert T9 back to Kelvin
}
double density() const {
[[nodiscard]] double density() const {
return m_state.m_rho;
}
private:
@@ -61,10 +62,10 @@ namespace gridfire::exceptions {
class StaleEngineError final : public EngineError {
public:
explicit StaleEngineError(const std::string& message)
: m_message(message) {}
explicit StaleEngineError(std::string message)
: m_message(std::move(message)) {}
const char* what() const noexcept override {
[[nodiscard]] const char* what() const noexcept override {
return m_message.c_str();
}
@@ -74,10 +75,10 @@ namespace gridfire::exceptions {
class FailedToPartitionEngineError final : public EngineError {
public:
explicit FailedToPartitionEngineError(const std::string& message)
: m_message(message) {}
explicit FailedToPartitionEngineError(std::string message)
: m_message(std::move(message)) {}
const char* what() const noexcept override {
[[nodiscard]] const char* what() const noexcept override {
return m_message.c_str();
}
private:
@@ -86,10 +87,10 @@ namespace gridfire::exceptions {
class NetworkResizedError final : public EngineError {
public:
explicit NetworkResizedError(const std::string& message)
: m_message(message) {}
explicit NetworkResizedError(std::string message)
: m_message(std::move(message)) {}
const char* what() const noexcept override {
[[nodiscard]] const char* what() const noexcept override {
return m_message.c_str();
}
private:
@@ -98,10 +99,10 @@ namespace gridfire::exceptions {
class UnableToSetNetworkReactionsError final : public EngineError {
public:
explicit UnableToSetNetworkReactionsError(const std::string& message)
: m_message(message) {}
explicit UnableToSetNetworkReactionsError(std::string message)
: m_message(std::move(message)) {}
const char* what() const noexcept override {
[[nodiscard]] const char* what() const noexcept override {
return m_message.c_str();
}