epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Layout of molecules problem and error appears when use "Add/Remove explicit hydrogens" button secondary times. #1767

Open NadezhdaPeskun opened 4 months ago

NadezhdaPeskun commented 4 months ago

Steps to Reproduce

  1. Open [Indigo Toolkit] Version
  2. Open Structure icon >> select Open from file
  3. Select attached "2024-02-29_10ketcher.mol"
  4. Open to Canvas button
  5. Press Add/Remove explicit hydrogens button several times as on the 2024-02-29_10h37_57 attached file

It may be a duplicate for https://github.com/epam/Indigo/issues/1576 but example is less complicated Task https://github.com/epam/Indigo/issues/1436

Expected behavior Hydrogens should be added and removed using the button in any iteration.

Actual behavior Molecules layouts are changed, and error message is appeared.

Attachments

Explicit - srtucture broken

https://github.com/epam/Indigo/assets/161723514/1f12b5f7-e740-443b-a237-2bccb6ce478d

2024-02-29_10ketcher.zip

Environment details

AlexeyGirin commented 2 months ago

Moved to Refined Backlog since not fixed over 2 releases