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Issues with loading from RXN file after saving to RXN several reactions positioned in a row

Open ivanmaslow opened this issue 1 year ago • 0 comments

Steps to Reproduce

  1. Add to Canvas two reactions in a row: image
  2. Click on Save as...
  3. Click on Warnings and observe

Actual Behavior A wrong warning is displayed: "The MDL Rxnfile V2000 format does not support drawn elements: reaction arrows will be lost: image

Expected behavior TBD - for example: Multistep reactions cannot be saved to this format. Only the first step will be saved

  1. Check RXN preview and copy: Actual Behavior Reactants from two reactions are together on the left side, products from two reactions are together on the right side: image

Expected behavior Only the first reaction should be in RXN, so it should be 2:1

  1. Paste to Canvas and observe

Actual behavior Reactants from two reactions are together on the left side, products from two reactions are together on the right side: image

Expected behavior TBD - Only one first reaction 2:1 is pasted

Environment details:

  • Ketcher [Version 2.24.0-rc.1] Build at 2024-08-06; 19:25:43
  • Indigo Version 1.23.0-rc.1.0-g85f89b8f5-x86_64-linux-gnu-11.2.1
  • OS: Windows 11 Enterprise
  • Browser: Chrome, Version 127.0.6533.100 (Official Build) (64-bit)

Additional context

  • Issue is related to https://github.com/epam/Indigo/issues/2194 and it was found during the investigation of Cascade Reactions feature https://github.com/epam/Indigo/issues/2128

ivanmaslow avatar Aug 14 '24 08:08 ivanmaslow