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feat: setExchangeBounds new function to set exchange bounds for given mets #222
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Function identifies exchange reactions corresponding to the given metabolite(s), and changes their lower and upper flux bounds to the values provided.
two quick comments:
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The "closeOthers" options will close the exchange reactions for all other metabolites not specified by the user. This option will now only prevent import of other metabolites, while their export will remain unchanged.
If the model.annotation.defaultLB (or UB) field exists, use this as the default LB (or UB) reaction flux if bounds are not specified. If the field does not exist, +/-1000 will be used for UB and LB, respectively.
@Hao-Chalmers I added the subheadings to the function header. As for the suggested name change to I'm actually a bit uncertain as to which name I prefer, and am open to other suggestions. |
@JonathanRob how about |
@Hao-Chalmers @JonathanRob what about |
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I agree, |
In the event of a single-value LB and/or UB vector, the function erroneously generated a vector equal in size fo the exchange metabolite indices, instead of the input mets. This has now been corrected.
@JonathanRob is it feasible to have an associated @edkerk it might be good to include a |
@Hao-Chalmers Of course, I can certainly arrange such a function if there is a place for it. |
@Hao-Chalmers Do you mean tests that check that the various RAVEN functions are working as intended, as quality control for future development? This would be really good, although it is probably quite time intensive. I would then prioritize #184 instead. |
Main improvements in this PR:
New function
setMetExchange
allows users to set the exchange flux bounds for a given list of metabolites. This should be helpful for specifying e.g., media conditions, or other nutrient uptake/export fluxes.I hereby confirm that I have:
devel
as a target branch