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

Aromatizing custom query fails with error #1474

Closed
AlexeyGirin opened this issue Jan 3, 2024 · 3 comments
Closed

Aromatizing custom query fails with error #1474

AlexeyGirin opened this issue Jan 3, 2024 · 3 comments
Assignees
@AliaksandrDziarkach
Labels
Priority: High query features phase II

Comments

@AlexeyGirin
Copy link
Collaborator

Environment details (please complete the following information):

Describe the bug
Aromatizing custom query fails with error

2024-01-03_21h36_30.mp4

Steps to Reproduce

  1. Load molecule from file: CustomQuery.zip (unzip first)
  2. Press Aromatize button (Alt+A)

Actual behavior
System throws an error:
Error Message
struct data not recognized as molecule, query, reaction or reaction query
image

Expected behavior
Works as intended
@AlexeyGirin AlexeyGirin added the Bug label Jan 3, 2024
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 3, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 5, 2024
Closed
4 tasks
@AliaksandrDziarkach
Copy link
Collaborator

Custom query should contain valid smarts sequence.

@AliaksandrDziarkach AliaksandrDziarkach closed this as not planned Won't fix, can't repro, duplicate, stale Jan 18, 2024
@AliaksandrDziarkach
Copy link
Collaborator

Dublicate of #1510

@AlexeyGirin
Copy link
Collaborator Author

Should not throw exception

@AlexeyGirin AlexeyGirin removed this from the Query Features - Phase II milestone Jan 30, 2024
@AlexeyGirin AlexeyGirin closed this as not planned Won't fix, can't repro, duplicate, stale Jan 30, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@AliaksandrDziarkach AliaksandrDziarkach

Labels
Priority: High query features phase II
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
3 participants
@AliaksandrDziarkach @vanoprenko @AlexeyGirin