fix: derive the loop-detection threshold from the model bounds - #681
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randomSampling excluded loop reactions by testing maxF > 999 | minF < -999, a hardcoded ±1000 while the bound replacement eight lines below derives its threshold from the model. On any model whose bounds are on another scale (ecModels, 100-scale bounds) nothing matched, so no reaction was excluded and loops were sampled while the function reported success. The threshold now comes from the model's own bounds, and reactions that reach an infinite bound are excluded explicitly. Models bounded at ±1000 keep the previous behaviour exactly. Adds a test with a loop that runs to a 100 cap, which the old threshold missed entirely.
Function test results241 tests 219 ✅ 1m 0s ⏱️ Results for commit f9334b3. |
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Main improvements in this PR:
randomSamplingdetected loop reactions against a hardcoded ±1000. On a model whose bounds are on any other scale (ecModels, 100-scale bounds) that matched nothing, so no reaction was excluded and loops were sampled while the run reported success. The threshold now comes from the model's own bounds, matching how the bound replacement below it already works. Models bounded at ±1000 behave exactly as before.tSampling.mwith a loop running to a 100 cap.Instructions on merging this PR:
develop3as target branch, and will be resolved with a squash-merge.