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Extend max-min driving force analysis #519

Merged
merged 1 commit into from
Nov 27, 2021
Merged

Extend max-min driving force analysis #519

merged 1 commit into from
Nov 27, 2021

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stelmo
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@stelmo stelmo commented Nov 18, 2021

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:

  1. Accepts ΔG of reaction adjustments, this is useful to add transporter effects
  2. Only uses ΔG of formation to calculate the unadjusted ΔG of reaction => ensures thermodynamic consistency
  3. Uses a previous flux solution to set the sign of ΔG reaction => you can feed it any model and it should work
  4. ΔG of formation accepts an error estimate => allows adjusting the ΔG formation used in calculating ΔG reaction
  5. Add a variability analysis tool

This new version is pretty cool if I have to say so myself :)

@stelmo stelmo added quality improves maintainability and code clarity feature New feature/functionality labels Nov 18, 2021
@stelmo stelmo self-assigned this Nov 18, 2021
@stelmo stelmo changed the base branch from master to develop November 18, 2021 16:35
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cylon-x commented Nov 18, 2021

🟢  Commit 8cb03e9 is formatted properly.

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cylon-x commented Nov 18, 2021

🟥  Commit b413c50 requires formatting!

Required formatting changes summary:

 test/analysis/max_min_driving_force.jl | 17 ++++++++++++++---
 1 file changed, 14 insertions(+), 3 deletions(-)

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cylon-x commented Nov 18, 2021

🟥  Commit b413c50 requires formatting!

Required formatting changes summary:

 test/analysis/max_min_driving_force.jl | 17 ++++++++++++++---
 1 file changed, 14 insertions(+), 3 deletions(-)

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cylon-x commented Nov 18, 2021

🟢  Commit 2923147 is formatted properly.

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cylon-x commented Nov 18, 2021

🟢  Commit 6820604 is formatted properly.

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stelmo commented Nov 21, 2021

There has been a substantial improvement in equilibrator_api with respect to the errors associated with this kind of analysis. Busy incorporating it.

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stelmo commented Nov 26, 2021

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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cylon-x commented Nov 26, 2021

🟢  Commit 61da085 is formatted properly.

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cylon-x commented Nov 26, 2021

🟢  Commit 5478c0e is formatted properly.

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cylon-x commented Nov 26, 2021

🟢  Commit d96b753 is formatted properly.

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cylon-x commented Nov 26, 2021

🟢  Commit 1234e89 is formatted properly.

@stelmo stelmo requested a review from exaexa November 26, 2021 21:22
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cylon-x commented Nov 26, 2021

🟢  Commit 5157010 is formatted properly.

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cylon-x commented Nov 26, 2021

🟢  Commit 72c4979 is formatted properly.

@stelmo stelmo added minor Easy fix with low priority, likely just cosmetic and removed feature New feature/functionality quality improves maintainability and code clarity labels Nov 26, 2021
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codecov bot commented Nov 26, 2021

Codecov Report

Merging #519 (043f2aa) into develop (0079d0b) will increase coverage by 0.08%.
The diff coverage is 95.23%.

❗ Current head 043f2aa differs from pull request most recent head d585420. Consider uploading reports for the commit d585420 to get more accurate results
Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #519      +/-   ##
===========================================
+ Coverage    90.85%   90.94%   +0.08%     
===========================================
  Files           67       67              
  Lines         1630     1656      +26     
===========================================
+ Hits          1481     1506      +25     
- Misses         149      150       +1     
Impacted Files Coverage Δ
src/analysis/max_min_driving_force.jl 94.44% <95.23%> (+1.58%) ⬆️

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cylon-x commented Nov 27, 2021

🟢  Commit 043f2aa is formatted properly.

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cylon-x commented Nov 27, 2021

🟥  Commit d3103e9 requires formatting!

Required formatting changes summary:

 src/analysis/max_min_driving_force.jl | 19 ++++++++-----------
 1 file changed, 8 insertions(+), 11 deletions(-)

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cylon-x commented Nov 27, 2021

🟢  Commit 9d5852d is formatted properly.

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cylon-x commented Nov 27, 2021

🟢  Commit d21cde8 is formatted properly.

@stelmo stelmo merged commit 9671d5a into develop Nov 27, 2021
@stelmo stelmo deleted the mo-update-maxmin branch November 27, 2021 19:28
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