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

Query molecule convert implicit/explicit hydrogens cause error #1484

Closed
AliaksandrDziarkach opened this issue Jan 8, 2024 · 1 comment · Fixed by #1509
Closed

Query molecule convert implicit/explicit hydrogens cause error #1484

AliaksandrDziarkach opened this issue Jan 8, 2024 · 1 comment · Fixed by #1509
Assignees
@AlexeyGirin
Labels
query features phase II
Milestone
Indigo-1.18.0-rc.1

Comments

@AliaksandrDziarkach
Copy link
Collaborator

Try to convert from implicit to explicit hydrogen molecule with query features and got error:
"IndigoException: core: is not a molecule"

Same error when try to convert from explicit to implicit hydrogen.
@AliaksandrDziarkach AliaksandrDziarkach self-assigned this Jan 8, 2024
AliaksandrDziarkach added a commit that referenced this issue Jan 10, 2024
@AliaksandrDziarkach
#1484 Query molecule convert implicit/explicit hydrogens cause error
e94adf0 
Add fold/unfold hydrogen support for query molecules.
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Jan 10, 2024 that will close this issue
#1484 Query molecule convert implicit/explicit hydrogens cause error #1509
Merged
AliaksandrDziarkach added a commit that referenced this issue Jan 10, 2024
@AliaksandrDziarkach
#1484 Query molecule convert implicit/explicit hydrogens cause error (…
42d848b 
…#1509)
@AlexeyGirin
Copy link
Collaborator

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

@github-project-automation github-project-automation bot moved this to Done in Indigo Aug 27, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@AlexeyGirin AlexeyGirin

Labels
query features phase II
Projects
Indigo
Status: Done
Milestone
Indigo-1.18.0-rc.1
Development

Successfully merging a pull request may close this issue.

#1484 Query molecule convert implicit/explicit hydrogens cause error epam/Indigo
4 participants
@even1024 @AliaksandrDziarkach @vanoprenko @AlexeyGirin