Skip to content
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.

Sign up for GitHub

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

Jump to bottom

Stereo flags are confused with stereo marks in *.ket files #544

Closed
Svetlana-Asinovskaia opened this issue May 26, 2021 · 1 comment · Fixed by #550
Closed

Stereo flags are confused with stereo marks in *.ket files #544

Svetlana-Asinovskaia opened this issue May 26, 2021 · 1 comment · Fixed by #550
Assignees
@AndreiMazol @Svetlana-Asinovskaia
Labels
bug epic: enhanced stereochemistry
Projects
Ketcher
Milestone
Release 2.3.0

Comments

@Svetlana-Asinovskaia
Copy link
Collaborator

Svetlana-Asinovskaia commented May 26, 2021 •
edited

Tested on Ketcher v2.2.1-117-g61e9b6d5

Steps to reproduce:

  1. Launch Ketcher.
  2. Create a structure on the canvas (e.g. chain).
  3. Add Single Up/Single Down/ Single Up/Down bond.
  4. Click the 'Save As' button.
  5. Select the "Graph Format".
  6. Look through the ket file.

Expected result: The stereoflag value displayed in ket file - "stereoFlag": "ABS"
Actual result: The stereoflag value displayed in ket file - "stereoFlag": "abs"
image

It is reproduced with AND Enantiomer and OR Enantiomer flags.
@Svetlana-Asinovskaia Svetlana-Asinovskaia added this to the Release 2.3.0 milestone May 26, 2021
@AndreiMazol AndreiMazol added this to In progress in Ketcher May 27, 2021
@AndreiMazol AndreiMazol self-assigned this May 27, 2021
@AndreiMazol AndreiMazol linked a pull request May 28, 2021 that will close this issue
#544 stereo flags update #550
Merged
AndreiMazol added a commit that referenced this issue May 28, 2021
@AndreiMazol
#544 stereo flags update (#550)
171a1bf 
* update stereo flags if the atom list have been changed

* create map for display values of Stereo Flags
@AndreiMazol AndreiMazol moved this from In progress to Ready for testing in Ketcher May 28, 2021
@Svetlana-Asinovskaia Svetlana-Asinovskaia moved this from Ready for testing to In testing in Ketcher May 28, 2021
@Svetlana-Asinovskaia Svetlana-Asinovskaia moved this from In testing to Done in Ketcher May 28, 2021
@Svetlana-Asinovskaia
Copy link
Collaborator Author

Release/2.3 The issue is verified and closed.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@AndreiMazol AndreiMazol

@Svetlana-Asinovskaia Svetlana-Asinovskaia

Labels
bug epic: enhanced stereochemistry
Projects
Ketcher
  
Done
Milestone
Release 2.3.0
Development

Successfully merging a pull request may close this issue.

#544 stereo flags update epam/ketcher
2 participants
@AndreiMazol @Svetlana-Asinovskaia