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.

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

New S-Group type Query component level grouping #3338

Closed
AlexanderSavelyev opened this issue Sep 19, 2023 · 0 comments · Fixed by #3356
Closed

New S-Group type Query component level grouping #3338

AlexanderSavelyev opened this issue Sep 19, 2023 · 0 comments · Fixed by #3356

Comments

@AlexanderSavelyev
Copy link
Contributor

AlexanderSavelyev commented Sep 19, 2023

Background
There is no way to create level component grouping for SMARTS

Solution

  • Create a new S-group type: "Query component"
  • No available fields to edit
  • User can select atoms and bonds from molecules. The s-group should be applied to whole fragments (e.g. if select 1 atom from 1 fragment and 1 atom from another fragment - all atoms and bonds from both fragments should be added to the s-group)
  • Display of brackets of s-group should be the similar as for "multiple group"
  • If user mouse-over the group - then tool-tip appears "Query component"
  • 1 fragment cannot be part of two query components. If user selects existing fragment from existing component, creates new Query component, then error message should appear "Cannot create a query component: one fragment can only be part of one query component"
  • If change a type from existing s-group (e.g. data s-group) to the "Query component" type then all the atoms should be added from the whole fragment
@AlexanderSavelyev AlexanderSavelyev added this to the Refined Backlog milestone Sep 19, 2023
@AKZhuk AKZhuk linked a pull request Sep 22, 2023 that will close this issue
9 tasks
AKZhuk added a commit that referenced this issue Sep 25, 2023
AKZhuk added a commit that referenced this issue Sep 27, 2023
Nitvex pushed a commit that referenced this issue Sep 28, 2023
* #3338 - New S-Group type Query component level grouping

* #3338 - New S-Group type Query component level grouping
 - Fix e2e tests

* #3338 - New S-Group type Query component level grouping
 - Fix pr comments
@AKZhuk AKZhuk modified the milestones: Ketcher 2.16.0-rc.1, SMART-Enhancement Oct 18, 2023
@Nitvex Nitvex modified the milestones: SMART Enhancement, Ketcher 2.16.0-rc.1 Oct 23, 2023
@github-project-automation github-project-automation bot moved this to Done in Ketcher Aug 27, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
Status: Done
Development

Successfully merging a pull request may close this issue.

3 participants