Dearomatize of molecule with S-Group properties causes exception - Githubissues

epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools

http://lifescience.opensource.epam.com

Apache License 2.0

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Dearomatize of molecule with S-Group properties causes exception #1537

Open AlexeyGirin opened 9 months ago

AlexeyGirin commented 9 months ago

Environment details (please complete the following information):

Indigo Toolkit Version 1.18.0-dev.4+1452.0-gaf1efce67-x86_64-linux-gnu-11.4.0
Ketcher Version 2.18.0+dev.1 Build at 2024-01-11; 13:21:50
Chrome Version 120.0.6099.130 (Official Build) (64-bit)
Win10
Issue found while testing https://github.com/epam/Indigo/issues/1446

Describe the bug Dearomatize of molecule with S-Group properties causes exception

Steps to Reproduce

Load from file: S-GroupDearomaCrash.zip (unzip first)
Press Dearomatize button (Ctrl+Alt+A)

Actual behavior System throws exception IndigoException: molecule: casting to molecule is invalid uat.test.lifescience.opensource.epam.com-1705182408492.log

Expected behavior No exception happen

AlexeyGirin commented 9 months ago

Unique