Reverse recipes should be in reverse order#1827
Closed
mazeau wants to merge 5 commits intoReactionMechanismGenerator:masterfrom
Closed
Reverse recipes should be in reverse order#1827mazeau wants to merge 5 commits intoReactionMechanismGenerator:masterfrom
mazeau wants to merge 5 commits intoReactionMechanismGenerator:masterfrom
Conversation
…ave a bond order of 0.0 (vdW)
…s that have a bond order of 0.0 (vdW)" This reverts commit bd3d12a.
…o avoid accidentally matching surface things to regular arrhenius
Member
|
Please can you make a PR from a dedicated topic branch so it just contains the changes described in the PR (in this case your commit "reverses the recipe actions for reverse templates" fb8ade7). Otherwise everything you do on your Ideally a topic branch pushed to the official fork (if you don't have permission to create branches there we can probably grant it), else one pushed to your fork but check the box to "Allow edits from maintainers") |
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
2 participants
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
I found that when generating reverse templates, the action list would go in the same order as the forward, and this would cause issues when making and breaking multiple bonds.
This change fixes this template's reverse recipe.