Export of aromatic bonds to MOL file causes exception - Githubissues

epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools

http://lifescience.opensource.epam.com

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Export of aromatic bonds to MOL file causes exception #1672

Open AlexeyGirin opened 4 months ago

AlexeyGirin commented 4 months ago

Describe the bug Export of Single Up/Down bonds to MOL file causes exception

Steps to Reproduce

Load from file: Convert error! molfile saver unrepresentable query bond order = -1.zip (unzip first)
Try to save it to Molfile V2000

Actual behavior System throws exception: Convert error! molfile saver: unrepresentable query bond: order = -1

Expected behavior No exception

Ketcher version [e.g. v2.4.2].

Indigo Toolkit Version 1.18.0-rc.5.0-gb21ab5ad5-wasm32-wasm-clang-12.0.0
Ketcher Version 2.18.0-rc.2 Build at 2024-01-26; 15:56:57
Chrome Version 120.0.6099.225 (Official Build) (64-bit)
Win10
Issue found while testing https://github.com/epam/Indigo/issues/1440
Moved from https://github.com/epam/ketcher/issues/3993

AlexeyGirin commented 4 months ago

Reproduced at

Ketcher Version 2.18.0-rc.4 Build at 2024-02-06; 13:45:28
Indigo Toolkit Version 1.18.0-rc.6.0-g98bf384e0-x86_64-linux-gnu-11.2.1
Chrome Version 121.0.6167.161 (Official Build) (64-bit)
Win10

AlexeyGirin commented 2 months ago

Moved to Refined Backlog since not fixed over 2 releases