Skip to content

fix: continuous repairing model leaks - #69

Merged
haowang-bioinfo merged 14 commits into
develfrom
repairModelLeaks
Nov 23, 2018
Merged

fix: continuous repairing model leaks#69
haowang-bioinfo merged 14 commits into
develfrom
repairModelLeaks

Conversation

@haowang-bioinfo

@haowang-bioinfo haowang-bioinfo commented Nov 23, 2018

Copy link
Copy Markdown
Contributor

Main improvements in this PR:

  • feat: Upload task list file metabolicTasks_LeakCheck.xls for evaluating the performance of fixing mass/energy leaks in the model, and add ID number to each task
  • style: Refine script repairModelLeaks.m by referencing specific metabolic task ID number(s) to the corresponding section that supposed to address the issue. Note that only overall implementation of the changes in this script can achieve those targeted metabolic tasks
  • feat: Add function for loading a simulation-ready humanGEM model

I hereby confirm that I have:

  • Tested my code on my own computer for running the model
  • Selected devel as a target branch

haowang-bioinfo and others added 13 commits November 12, 2018 08:48
The function evaluates whether a model is properly balanced, such that mass and energy cannot be created from nothing, or in unrealistic amounts. This is not meant to be an exhaustive evaluation of a model's balance status, but a quick check of some key features.
The Excel document can be used by RAVEN's checkTasks or parseTaskList functions to evaluate each of the metabolic tasks defined in the document for a given model. metabolicTasks_LeakCheck.xls contains 17 metabolic tasks that test for things such as generation of carbon and oxygen from nothing, phosphorylation of ADP (to ATP) with no inputs, and realistic ATP generation per glucose consumed.

This task list can therefore replace the existing "checkEnergyMassLeaks" function, as it is a more exhaustive and straightforward evaluation.
ID numbers are added to each task so that they can be more easily referenced.
Each model change made in repairModelLeaks now references a specific metabolic task ID number(s) (corresponding to ID numbers in the metabolicTasks_LeakCheck.xls task file) which the change is supposed to address.
- Gather together deleted/constrained reactions in this centralized file for easy manipulation in the future
- Since the reaction constraining and bound/coefficient adjustment form an integrated work, only the overall implementation can achieve all the metabolic tasks listed in `metabolicTasks_LeakCheck.xls`.
- The script documentation is modified by adding the information about reaction constraining, which is an indispensable part for coherent repairing of mass/energy leaks in the model.

@JonathanRob JonathanRob left a comment

Copy link
Copy Markdown
Collaborator

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This looks good, and is a big improvement over the original implementation, in my opinion.

@haowang-bioinfo
haowang-bioinfo merged commit 6472366 into devel Nov 23, 2018
@haowang-bioinfo
haowang-bioinfo deleted the repairModelLeaks branch November 23, 2018 16:55
@JonathanRob JonathanRob mentioned this pull request May 20, 2019
2 tasks
edkerk added a commit that referenced this pull request Jul 14, 2026
Install raven-toolbox from fix/ftinit-raven-parity (PR #69) so the gene
essentiality workflow picks up the corrected task-essential-reaction discovery,
which now matches RAVEN's checkTasks (397 essential reactions on Human-GEM v2.0.0
instead of 259). Revert to the default branch after that PR merges.
edkerk added a commit that referenced this pull request Jul 15, 2026
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants