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 CDX and Base 64CDX format in micro mode #1994

Closed Zhirnoff closed 4 months ago

Zhirnoff commented 5 months ago

Summary Micro and macro structures connected through attachment points cannot be opened after save in CDX and Base 64CDX 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

Actual behavior Micro and macro structures connected through attachment points cannot be opened after save in CDX and Base 64CDX format in micro mode

2024-06-06_16h24_23 2024-06-06_16h24_33 2024-06-06_16h24_41

Expected behavior Micro and macro structures connected through attachment points can be opened after save in CDX and Base 64CDX format in micro mode 2024-06-06_14h02_50

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: ketcherCDX (1).zip

AnnaKosol commented 4 months ago

When opening a file with a cdxml format, a modal window with an error is displayed

Снимок экрана 2024-07-03 в 16 11 13

When opening a file with a b64cdx format, a modal window with an error is displayed

Снимок экрана 2024-07-03 в 16 14 26

Versions: Ketcher Version 2.23.0-rc.1 Build at 2024-07-02; 09:03:38 Indigo Version 1.21.0-rc.1.0-g9194599b2-x86_64-linux-gnu-11.2.1 MacOs Sonoma version 14.5 Chrome Version 126.0.6478.127 (Официальная сборка), (arm64)

AlexeyGirin commented 4 months ago

Verified. image