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Extend max-min driving force analysis #519
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There has been a substantial improvement in equilibrator_api with respect to the errors associated with this kind of analysis. Busy incorporating it. |
So I decided to remove the error estimates from the function because it might make more sense to just sample, the actual error analysis is more complicated than just box constraints... |
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Codecov Report
@@ Coverage Diff @@
## develop #519 +/- ##
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+ Coverage 90.85% 90.94% +0.08%
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Files 67 67
Lines 1630 1656 +26
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+ Hits 1481 1506 +25
- Misses 149 150 +1
Continue to review full report at Codecov.
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This version accepts "normal" models i.e. you don't have to make a custom model. As long as you have thermodynamic data for all the metabolites it will work. Improvements:
Accepts ΔG of reaction adjustments, this is useful to add transporter effectsOnly uses ΔG of formation to calculate the unadjusted ΔG of reaction => ensures thermodynamic consistencyΔG of formation accepts an error estimate => allows adjusting the ΔG formation used in calculating ΔG reactionThis new version is pretty cool if I have to say so myself :)