Calling canonicalSmiles causes application hang
- Dominant language
- C++
- Stars
- 406
- Forks
- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
**Steps to Reproduce**
epam.indigo==1.18.0
arm64 architecture
>>> import indigo
>>> ind = indigo.Indigo()
>>> m = ind.loadMolecule('C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCCCCCC1.C1CCCCCCCCC1.C1CCCCCCCCCC1')
>>> m.smiles()
'C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCCCCCC1.C1CCCCCCCCC1.C1CCCCCCCCCC1'
>>> m.canonicalSmiles()
(application hang)
**Environment details:**
- Python 3.11.7
- Linux 6.1.75-99.163.amzn2023.aarch64 #1 SMP Wed Jan 31 01:01:34 UTC 2024 aarch64 aarch64 aarch64 GNU/Linux
Contributor guide
No contributing guide indexed for this repository
Research direction
Reproduce the hang with the reported Python 3.11.7, arm64 environment and the supplied molecule string, starting at the Python call to m.canonicalSmiles(). Compare behavior with m.smiles() and inspect the canonicalization path reached by that entry point. Done means the supplied input returns without hanging and the regression is covered by a test.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp, python
- Domain
- tooling
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100