epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Micro and macro structures connected through attachment points cannot be saved in Extended SMILES format in micro mode #1992

Closed Zhirnoff closed 4 months ago

Zhirnoff commented 5 months ago

Summary Micro and macro structures connected through attachment points cannot be saved in Extended SMILES 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 Extended SMILES format

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 saved in Extended SMILES format in micro mode

Actual behavior Micro and macro structures connected through attachment points cannot be saved in Extended SMILES format in micro mode 2024-06-06_16h05_39 2024-06-06_16h06_55

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

Zhirnoff commented 4 months ago

Tested. Bug fixed.

2024-07-03_14h54_19

Desktop:

Ketcher version [Version 2.23.0-rc.1] Indigo version [Version 1.22.0-rc.1]

AlexeyGirin commented 4 months ago

Have to be checked in version 1.21.0-rc.3

Zhirnoff commented 4 months ago

Tested. Bug fixed. File saves in Extended SMILES and open from it. 2024-07-04_19h27_24 2024-07-04_19h27_42

Desktop:

Ketcher version [Version 2.22.0-rc.8] Indigo version [Version 1.21.0-rc.3]