Export to SMARTS works wrong - it reverse stereo bonds
- Dominant language
- C++
- Stars
- 406
- Forks
- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
**Steps to Reproduce**
1. Go to Micro
2. Load from file: [5. Unsplit nucleotide 5hMedC (from library).zip](https://github.com/user-attachments/files/17620667/5.Unsplit.nucleotide.5hMedC.from.library.zip)
3. Expand it
4. Press Save button and choose SMILES format
**Actual behavior**
Export result mirrored stereo bonds
`[#6@]1(/[#6]-[#8]-[H])-[#8]-[#6@@](/[#7]2-[#6]=[#6](-[#6]-[#8])-[#6](-[#7])=[#7]-[#6]-2=[#8])-[#6]-[#6@@]-1\[#8]-[#15](=[#8])(-[#8])-[#8]`
**Expected behavior**
`[#6;@]1(\[#6]-[#8]-[H])-[#8]-[#6;@@](/[#7]2-[#6]=[#6](-[#6]-[#8])-[#6](-[#7])=[#7]-[#6]-2=[#8])-[#6]-[#6;@@]-1/[#8]-[#15](=[#8])(-[#8])-[#8]`
**Versions**
- Ketcher Version 2.26.0-rc.6 Build at 2024-10-25; 09:57:12
- Indigo Toolkit Version 1.25.0-rc.4.0-g8862ccb7e-wasm32-wasm-clang-19.0.0
- Chrome Version Version 130.0.6723.59 (Official Build) (64-bit)
- Win10
Found while testing - https://github.com/epam/ketcher/issues/5400
Contributor guide
No contributing guide indexed for this repository
Research direction
Reproduce the export using the attached 5hMedC library file and the listed steps, then compare the actual and expected SMILES strings, focusing on stereo bond direction. No source file or test is named in the issue, so locate the export path from this reproduction. Done means the generated output matches the expected stereochemistry.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp
- Domain
- tooling
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100