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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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4
src/lib/partition/partition_ground.cpp
View File

@@ -19,7 +19,7 @@ namespace gridfire::partition {
const int a,
const double T9
) const {
LOG_TRACE_L2(m_logger, "Evaluating ground state partition function for Z={} A={} T9={}", z, a, T9);
LOG_TRACE_L3(m_logger, "Evaluating ground state partition function for Z={} A={} T9={}", z, a, T9);
const int key = make_key(z, a);
const double spin = m_ground_state_spin.at(key);
return (2.0 * spin) + 1.0;
@@ -30,7 +30,7 @@ namespace gridfire::partition {
const int a,
const double T9
) const {
LOG_TRACE_L2(m_logger, "Evaluating derivative of ground state partition function for Z={} A={} T9={}", z, a, T9);
LOG_TRACE_L3(m_logger, "Evaluating derivative of ground state partition function for Z={} A={} T9={}", z, a, T9);
return 0.0;
}

12
src/lib/partition/partition_rauscher_thielemann.cpp
View File

@@ -44,21 +44,21 @@ namespace gridfire::partition {
const int a,
const double T9
) const {
LOG_TRACE_L2(m_logger, "Evaluating Rauscher-Thielemann partition function for Z={} A={} T9={}", z, a, T9);
LOG_TRACE_L3(m_logger, "Evaluating Rauscher-Thielemann partition function for Z={} A={} T9={}", z, a, T9);
const auto [bound, data, upperIndex, lowerIndex] = find(z, a, T9);
switch (bound) {
case FRONT: {
LOG_TRACE_L2(m_logger, "Using FRONT bound for Z={} A={} T9={}", z, a, T9);
LOG_TRACE_L3(m_logger, "Using FRONT bound for Z={} A={} T9={}", z, a, T9);
return data.normalized_g_values.front() * (2.0 * data.ground_state_spin + 1.0);
}
case BACK: {
LOG_TRACE_L2(m_logger, "Using BACK bound for Z={} A={} T9={}", z, a, T9);
LOG_TRACE_L3(m_logger, "Using BACK bound for Z={} A={} T9={}", z, a, T9);
return data.normalized_g_values.back() * (2.0 * data.ground_state_spin + 1.0);
}
case MIDDLE: {
LOG_TRACE_L2(m_logger, "Using MIDDLE bound for Z={} A={} T9={}", z, a, T9);
LOG_TRACE_L3(m_logger, "Using MIDDLE bound for Z={} A={} T9={}", z, a, T9);
}
}
@@ -79,10 +79,10 @@ namespace gridfire::partition {
const int a,
const double T9
) const {
LOG_TRACE_L2(m_logger, "Evaluating derivative of Rauscher-Thielemann partition function for Z={} A={} T9={}", z, a, T9);
LOG_TRACE_L3(m_logger, "Evaluating derivative of Rauscher-Thielemann partition function for Z={} A={} T9={}", z, a, T9);
const auto [bound, data, upperIndex, lowerIndex] = find(z, a, T9);
if (bound == FRONT || bound == BACK) {
LOG_TRACE_L2(m_logger, "Derivative is zero for Z={} A={} T9={} (bound: {})", z, a, T9, bound == FRONT ? "FRONT" : "BACK");
LOG_TRACE_L3(m_logger, "Derivative is zero for Z={} A={} T9={} (bound: {})", z, a, T9, bound == FRONT ? "FRONT" : "BACK");
return 0.0; // Derivative is zero at the boundaries
}
const auto [T9_high, G_norm_high, T9_low, G_norm_low] = get_interpolation_points(