Atom Query feature export: System creates invalid mol file if custom query present - export to Mol file/RXN V2000/SDF V2000 - Githubissues

epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools

http://lifescience.opensource.epam.com

Apache License 2.0

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Atom Query feature export: System creates invalid mol file if custom query present - export to Mol file/RXN V2000/SDF V2000 #1855

Open AlexeyGirin opened 3 months ago

AlexeyGirin commented 3 months ago

Describe the bug Atom Query feature export: System creates invalid mol file if custom query present - export to Mol file

Steps to Reproduce

Open from file: Custom.zip
Save it to Mol V2000 file format/RXN V2000/SDF V2000
Clear canvas
Load from Mol V2000 file format

Actual behavior System throws exception: Convert error! struct data not recognized as molecule, query, reaction or reaction query rc.test.lifescience.opensource.epam.com-1709654286430.log

Expected behavior No exception. Should work as intended

Environment details (please complete the following information):

Indigo Toolkit Version 1.18.0-rc.9.0-gc7efb4e71-x86_64-linux-gnu-11.2.1
Ketcher Version 2.19.0-rc.1 Build at 2024-03-01; 19:35:12
Chrome Version 122.0.6261.95 (Official Build) (64-bit)
Win10
Issue found while testing https://github.com/epam/Indigo/issues/1440

AlexeyGirin commented 2 months ago

Moved to Refined Backlog since not fixed over 2 releases