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

System attach two explicit hydrogens to aromatized ring #1525

Closed
AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1577
Closed

System attach two explicit hydrogens to aromatized ring #1525

AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1577
Labels
Bug Priority: High query features phase II
Projects
Indigo
Milestone
Indigo-1.18.0-rc.4

Comments

@AlexeyGirin
Copy link
Collaborator

AlexeyGirin commented Jan 13, 2024 •
edited

Environment details (please complete the following information):

Describe the bug
System attach two explicit hydrogens to aromatized ring and layout is wrong by default

Steps to Reproduce

  1. Load from file: Add explicit hydrogens works not good.zip (unzip first)
  2. Press Add/Remove explicit hydrogens button

Actual behavior
image
System attach two hydrogens and layout is not good

Expected behavior
Add explicit hydrogens works fine
image
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 13, 2024
@AlexeyGirin AlexeyGirin added this to Product Backlog in Indigo via automation Jan 13, 2024
@AliaksandrDziarkach AliaksandrDziarkach changed the title System attach two explicit hydrogens to aromatized ring and layout is wrong by default System attach two explicit hydrogens to aromatized ring Jan 17, 2024
@AliaksandrDziarkach
Copy link
Collaborator

AliaksandrDziarkach commented Jan 17, 2024 •
edited

Please add separate bug for layout if it still reproduced after fix of hydrogen count

AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring
7032da4 
Fix connection calculation for aromatic bonds. Add UT
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Jan 17, 2024 that will close this issue
#1525 System attach two explicit hydrogens to aromatized ring #1577
Merged
@AliaksandrDziarkach AliaksandrDziarkach moved this from Product Backlog to In review in Indigo Jan 17, 2024
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring
da3c7c4 
Update UT to show correct diff
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring
aa620b9 
Fix EOL from CRLF to LF in UT data file
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring (#1577)
b374a45
Indigo automation moved this from In review to Done Jan 17, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 22, 2024
Closed
35 tasks
@AlexeyGirin
Copy link
Collaborator Author

AlexeyGirin commented Jan 29, 2024 •
edited

Fixed.
Version 1.18.0-rc.5.0-gb21ab5ad5-wasm32-wasm-clang-12.0.0
image

AliaksandrDziarkach added a commit that referenced this issue Jan 31, 2024
@AliaksandrDziarkach
Backmerge: #1525 System attach two explicit hydrogens to aromatized ring
4b4372d 
Backmerge by cherry-pick
AliaksandrDziarkach added a commit that referenced this issue Jan 31, 2024
@AliaksandrDziarkach
Backmerge: #1525 System attach two explicit hydrogens to aromatized r…
3db0c91 
…ing (#1645)
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
Bug Priority: High query features phase II
Projects
Indigo
  
Done
Milestone
Indigo-1.18.0-rc.4
Development

Successfully merging a pull request may close this issue.

#1525 System attach two explicit hydrogens to aromatized ring epam/Indigo
2 participants
@AliaksandrDziarkach @AlexeyGirin