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Atom Query feature export: System lost "Implicit H count" values, add Valence value, corrupt layout - export to RXN V2000

Open AlexeyGirin opened this issue 1 year ago • 4 comments

Environment details (please complete the following information):

  • Indigo Toolkit Version 1.18.0-dev.2.0-g369c82f8c-x86_64-linux-gnu-11.4.0
  • Ketcher Version 2.17.0-rc.2 Build at 2024-01-03; 17:17:22
  • Chrome Version 120.0.6099.130 (Official Build) (64-bit)
  • Win10
  • Issue found while testing https://github.com/epam/Indigo/issues/1440

Describe the bug System lost "Implicit H count" values or add Valence value

Steps to Reproduce

  1. Open from file: Implicit H count4.zip
  2. Save it to NRX V2000 file format
  3. Clear canvas
  4. Load from NRX V2000 file format

Actual behavior Atom Query feature export: System lost "Implicit H count" values, add Valence value, corrupt layout image

Expected behavior Works as intended. On that screenshot layout is correct (system doesn't show some values because of https://github.com/epam/ketcher/issues/3529 issue) image

AlexeyGirin avatar Jan 09 '24 16:01 AlexeyGirin

Provided ket file contains no "plus" entry. Looks like this is ketcher(frontend) issue.

AliaksandrDziarkach avatar Jan 18 '24 08:01 AliaksandrDziarkach

Need to be fixed

AlexeyGirin avatar Jan 24 '24 14:01 AlexeyGirin

Expected result (same as it works in Marvin). This is for Implicit H = 7 image

AlexeyGirin avatar Jan 31 '24 08:01 AlexeyGirin

Moved to Refined Backlog since no fix over 2 versions

AlexeyGirin avatar Apr 18 '24 06:04 AlexeyGirin