epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
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Micro and macro structures connected through attachment points cannot be opened after save in CDXML format in micro mode #1993

Closed Zhirnoff closed 1 week ago

Zhirnoff commented 3 weeks ago

Summary Micro and macro structures connected through attachment points cannot be opened after save in CDXML format in micro mode

Steps to Reproduce

  1. Open Ketcher.
  2. Draw a benzene ring
  3. Add an attachment point to the benzene ring via right click menu
  4. Switch to Macro mode and connect attachment point to a macro structure
  5. Switch to Micro mode
  6. Save structure in CDXML format
  7. Open saved file

If it is not possible to draw the structure, then you can open the prepared file (you just need to open it in macro mode and then switch to micro mode): ketcher (53).zip

Expected behavior Micro and macro structures connected through attachment points can be opened after save in CDXML format in micro mode 2024-06-06_14h02_50

Actual behavior Micro and macro structures connected through attachment points cannot be opened after save in CDXML format in micro mode 2024-06-06_16h14_38 2024-06-06_16h14_54 2024-06-06_16h15_01

Desktop (please complete the following information):

Ketcher version [Version 2.22.0-rc.2] Indigo version [Version 1.21.0-rc.1]

Refers to feature: https://github.com/epam/ketcher/issues/4530

Attached saved files:

ketcherCDXML (1).zip

AlexeyGirin commented 1 week ago

Not fixed.

Source KET for reproducing: Micro and macro structures connected through attachment points cannot be opened after save in CDXML format in micro mode.zip

System throws an error: Convert error! array: invalid index 0 (size=0) image

AlexeyGirin commented 1 week ago

Moved to Ketcher since Indigo part is done