-
Notifications
You must be signed in to change notification settings - Fork 106
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
#1319 Directional bonds not work with SMARTS #1326
Merged
AlexanderSavelyev
merged 14 commits into
epam:master
from
AliaksandrDziarkach:fix-direction-bond
Oct 17, 2023
Merged
#1319 Directional bonds not work with SMARTS #1326
AlexanderSavelyev
merged 14 commits into
epam:master
from
AliaksandrDziarkach:fix-direction-bond
Oct 17, 2023
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
Initial commit
Fix errors Add UT
AlexanderSavelyev
requested changes
Oct 13, 2023
AlexanderSavelyev
requested changes
Oct 13, 2023
Use constatnts for Biovia values
Use constant to init direction
Use constants instead of numbers
Co-authored-by: Aliakasndr Dziarkach <Aliakasndr.Dziarkach@gmail.com>
Set _pmol and _pqmol to all fragments
AlexanderSavelyev
approved these changes
Oct 17, 2023
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Outdated suggestions cannot be applied.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.
Fix directional bond support.
Add UTs