Open
Conversation
…a, require whitespace in regex to disambiguate between comment and part of compound name
Author
|
Hey, I saw that the macos-latest check was failing for this PR - looking at the details it seems to be failing in the middle of setting up the conda environment, before the build and test stages. Is this just a case where you have to update the action, or is there something I'm missing that I should change? |
This file contains hidden or 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
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Hello! Thank you so much for your work on BRENDApyrser. I was using it for a study and found a few issues.
substratesAndProductsto only split on "+" if there are spaces around it and leave +s in compound names.__extractDataFieldand__extractReactionMechanismInfo.extractDataLineInfoto only add something in parentheses to the meta field if it starts with whitespace.These worked for me, but there are definitely better ways to do them, so feel free to suggest changes. Thanks again!