Test AD w.r.t. multiple reaction parameters #194
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This requires the newest MetaPhysicL (not the newest release, the stuff I pushed to github 60 seconds ago) to pass. The test will be skipped if Antioch is configured without MetaPhysicL.
|
It is. The big hope is that we can thus more easily get gradients w.r.t. lots and lots of reactions without lots and lots of code (in this case, 0 lines in library vs 2000). |
|
I think it will be good to have both as an option, if for no other reason then things like timings etc. At any rate this is awesome! |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This requires the newest MetaPhysicL (not the newest release, the
stuff I pushed to github 60 seconds ago) to pass. The test will be
skipped if Antioch is configured without MetaPhysicL.
@hovr2pi, this is the basics of what we want for getting massive parameter sensitivity gradients out of Antioch calls. The remaining catches are going to be application-side: indexing (we'll need some kind of factory method for associating unique integers to each parameter we try to differentiate against) and setting the independent variable derivatives (this is easy for kinetics parameters, thanks to #135, but Varis was going to add the equivalent access for transport and thermo parameters but IIRC never found time).