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fix(construction): added reaclib_reaction_is_weak call

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previously I had neglected to actually call the heuristic removing weak reaclib reactions. This is now called properly. Therefore it is this commit which actually prevents weak reaclib reactions from getting registered
This commit is contained in:
Emily Boudreaux
2025-10-31 07:08:54 -04:00
parent c40dd9d0f7
commit 1af54132b8
1 changed files with 4 additions and 3 deletions
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7
src/lib/engine/procedures/construction.cpp
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@@ -18,9 +18,10 @@
#include "quill/Logger.h"
#include "quill/LogMacros.h"
namespace {
// Simple heuristic to check if a reaclib reaction is a strong or weak reaction
bool reaclib_reaction_is_weak(const gridfire::reaction::Reaction& reaction) {
std::vector<fourdst::atomic::Species> reactants = reaction.reactants();
std::vector<fourdst::atomic::Species> products = reaction.products();
const std::vector<fourdst::atomic::Species>& reactants = reaction.reactants();
const std::vector<fourdst::atomic::Species>& products = reaction.products();
if (reactants.size() != products.size()) {
return false;
@@ -69,7 +70,7 @@ namespace gridfire {
// Clone all relevant REACLIB reactions into the master pool
const auto& allReaclibReactions = reaclib::get_all_reaclib_reactions();
for (const auto& reaction : allReaclibReactions) {
if (reaction->is_reverse() == reverse) { // Only add reactions of the correct direction and which are not weak. Weak reactions are handled from the WRL separately which provides much higher quality weak reactions than reaclib does
if (reaction->is_reverse() == reverse && !reaclib_reaction_is_weak(*reaction)) { // Only add reactions of the correct direction and which are not weak. Weak reactions are handled from the WRL separately which provides much higher quality weak reactions than reaclib does
master_reaction_pool.add_reaction(reaction->clone());
}
}