epam / epam/Indigo

Indigo getLayeredCode freezes with specific molecule

Open
#3,690 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

Indigo getLayeredCode(indigo_inchi) freezes when trying to calculate inchi from next molecule

```
CC1OC(OC2C(OS(O)(=O)=O)C(O)C(CO)OC2OC2C(OS(O)(=O)=O)C(C)OC(OC3C(OS(O)(=O)=O)C(C)OC(OCC4OC(OC5C(OS(O)(=O)=O)C(OC(C)C5OS(O)(=O)=O)OCC5OC(OC6C(OS(O)(=O)=O)C(C)OC(OC7C(OS(O)(=O)=O)C(OC(COS(O)(=O)=O)C7O)OC7C(OS(O)(=O)=O)C(OC(=O)/C=C/CCCCCCCCCCCCC)C(OS(O)(=O)=O)C(O)C7O)C6O)C(O)C(OS(O)(=O)=O)C5OS(O)(=O)=O)C(OC(=O)CC(O)CCCCCCCCCCCCCCC)C(OS(O)(=O)=O)C4OS(O)(=O)=O)C3O)C2O)C(OC2OCC(OS(O)(=O)=O)C(OS(O)(=O)=O)C2O)C(OC2OC(COC(=O)/C=C/CCCCCCCCCCCCC)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C2OC(=O)/C=C/CCCCCCCCCCCCC)C1OS(O)(=O)=O
```

Contributor guide

No contributing guide indexed for this repository

Research direction

Start by reproducing the freeze through getLayeredCode(indigo_inchi) with the molecule supplied in the issue, then trace the InChI calculation entry point and the layered-code path. Done means this input completes without freezing and returns the expected layered code; add a regression test for the reported molecule if the relevant test location is found.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
backend
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Quiet
Clarity
Mostly clear
Newbie friendliness
48/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.