Adding Any Atom to the canvas make sulfur (S) valence equal 3 in aromatic ring
- Dominant language
- C++
- Stars
- 406
- Forks
- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
**Steps to Reproduce**
1. Put on the canvas following SMILES: `S1=SS=SS=S1`
2. Press Aromatize button
3. Press Add/Remove implicit hydrogens button to fold hydrogens
4. Press Add/Remove implicit hydrogens button to unfold hydrogens
5. Add Any Atom to the canvas
6. Press Add/Remove implicit hydrogens button to fold hydrogens
7. Press Add/Remove implicit hydrogens button to unfold hydrogens
**Actual behavior**
Valency turns to 3
**Expected behavior**
Valency remain 4
**Ketcher version** [e.g. v2.4.2].
- Indigo Toolkit Version 1.18.0.0-g73c32dec3-wasm32-wasm-clang-12.0.0
- Ketcher Version 2.19.0-rc.2 Build at 2024-03-11; 12:30:30
- Chrome Version Version 122.0.6261.112 (Official Build) (64-bit)
- Win10
- Issue found while testing https://github.com/epam/Indigo/issues/1436
Contributor guide
No contributing guide indexed for this repository
Research direction
Reproduce the reported SMILES workflow in Ketcher with Indigo Toolkit 1.18.0.0-wasm32: aromatize the ring, fold and unfold implicit hydrogens, add Any Atom, and repeat the hydrogen toggle. Done means sulfur valency remains 4 rather than changing to 3 after the Any Atom operation.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp, wasm
- Domain
- tooling
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Clearly specified
- Newbie friendliness
- 45/100