`TypeError` when searching kinetics

[JacksonBurns]

Searching this:

on https://rmg.mit.edu/database/kinetics/search/

yields:

https://rmg.mit.edu/database/kinetics/results/reactant1=1%20C%20u0%20p0%20c0%20%7B2,S%7D%20%7B3,S%7D%20%7B4,S%7D%20%7B5,S%7D%0D%0A2%20C%20u0%20p0%20c0%20%7B1,S%7D%20%7B6,S%7D%20%7B7,S%7D%20%7B8,S%7D%0D%0A3%20H%20u0%20p0%20c0%20%7B1,S%7D%0D%0A4%20H%20u0%20p0%20c0%20%7B1,S%7D%0D%0A5%20H%20u0%20p0%20c0%20%7B1,S%7D%0D%0A6%20H%20u0%20p0%20c0%20%7B2,S%7D%0D%0A7%20H%20u0%20p0%20c0%20%7B2,S%7D%0D%0A8%20H%20u0%20p0%20c0%20%7B2,S%7D__res=True

[sevyharris]

I'm running into the same Kinetics search issue, but I get a NotImplementedError instead

[jonwzheng]

Hi folks, sorry to hear about the search issues you are having.
I think these different errors have different sources.
@sevyharris could you please let me know what types of reactions are giving you these errors?

[sevyharris]

Hey @jonwzheng, this is the reaction that gave me the NotImplementedError:

[jonwzheng]

Hi folks. Just an update: these issues are related to the electrochemistry update for RMG-Py (ReactionMechanismGenerator/RMG-Py#2598). There are apparently some edge case issues with the codebase.

Fixing these problems will require some changes in RMG-Py; I'll make PRs for those changes shortly.

[jonwzheng]

The bug that Jackson posted has been fixed in ReactionMechanismGenerator/RMG-Py#2775

@sevyharris, the bug you posted seems more complex. It's related to the Chung_solvation_corrections library added from the electrochemistry branch: https://github.com/ReactionMechanismGenerator/RMG-database/blob/main/input/kinetics/libraries/Chung_solvation_corrections/reactions.py

These are not actually kinetics data, but rather solute parameters. The website currently isn't equipped to handle these without further, more extensive code changes.

#292 temporarily fixes this by removing them from showing up in Kinetics search, but we may eventually want to actually visualize them.

Because this "root cause" hasn't been addressed, I'll leave this issue as open.
I also started a thread in the Slack to discuss further. I personally feel we should move such data to SoluteData rather than kinetics.