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

(RXN files) structure is missing when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. #870

Closed
Zhirnoff opened this issue Oct 10, 2022 · 2 comments · Fixed by #894
Closed

(RXN files) structure is missing when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. #870

Zhirnoff opened this issue Oct 10, 2022 · 2 comments · Fixed by #894
Assignees
@even1024
Labels
Bug
Milestone
indigo-1.8.1

Comments

@Zhirnoff
Copy link
Collaborator

Zhirnoff commented Oct 10, 2022 •
edited
Loading

Steps to Reproduce

  1. Open Ketcher v2.5.2
  2. Add a reaction with multiple (more than one reaction arrow) as shown in the image
  3. Save file in MDL Rxnfile V2000 and MDL Rxnfile V3000
  4. Paste files from clipboard or open saved files from saved directory.

Expected behavior
Structure is correctly opens from saved files. Keep only first reaction arrow and keep all structures (all intermediate structures should be products and the arrow is replaced by a plus)

Actual behavior
In MDL Rxnfile V2000 the arrow disappears, and when opening MDL Rxnfile V3000 the arrow and structure disappear

Attachments
2022-10-07_14h54_14

Indigo/Bingo version
Indigo Toolkit
Version 1.7.4.0-g86f1ef175-x86_64-linux-gnu-11.2.1

Additional context
Ketcher issue: epam/ketcher#1837
@Zhirnoff Zhirnoff added the Bug label Oct 10, 2022
@Zhirnoff Zhirnoff mentioned this issue Oct 10, 2022
Closed
@AlexanderSavelyev AlexanderSavelyev changed the title (RXN files) One of the arrows and structure is missing when "Past from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. (RXN files) structure is missing when "Past from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. Oct 11, 2022
@AlexanderSavelyev
Copy link
Collaborator

rxn supports only one arrow, but structure should no disappear

@AlexanderSavelyev AlexanderSavelyev added this to the indigo-1.8.1 milestone Oct 11, 2022
@Zhirnoff Zhirnoff changed the title (RXN files) structure is missing when "Past from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. (RXN files) structure is missing when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. Nov 11, 2022
@Zhirnoff Zhirnoff mentioned this issue Nov 11, 2022
Closed
@even1024 even1024 mentioned this issue Nov 15, 2022
Merged
@even1024
Copy link
Collaborator

fixed in 1.8.1

@Zhirnoff Zhirnoff reopened this Dec 2, 2022
@Zhirnoff Zhirnoff modified the milestones: indigo-1.8.1, indigo-1.9.0 Dec 2, 2022
@Zhirnoff Zhirnoff closed this as completed Dec 2, 2022
@Zhirnoff Zhirnoff modified the milestones: indigo-1.9.0, indigo-1.8.1 Dec 2, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@even1024 even1024

Labels
Bug
Projects
None yet
Milestone
indigo-1.8.1
Development

Successfully merging a pull request may close this issue.

multistep to rxn-smiles epam/Indigo
3 participants
@AlexanderSavelyev @even1024 @Zhirnoff