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Add/Remove explicit hydrogens OR dearomatize feature changes "!H" atoms to "Any atom" atoms

Open AlexeyGirin opened this issue 1 year ago • 2 comments

Environment details (please complete the following information):

  • Indigo Toolkit Version 1.18.0-dev.4+1452.0-gaf1efce67-x86_64-linux-gnu-11.4.0
  • Ketcher Version 2.18.0+dev.1 Build at 2024-01-11; 13:21:50
  • Chrome Version 120.0.6099.130 (Official Build) (64-bit)
  • Win10
  • Issue found while testing https://github.com/epam/Indigo/issues/1436

Describe the bug Add/Remove explicit hydrogens OR aromatize/dearomatize feature changes "!H" atoms to "Any atom" atoms

Steps to Reproduce

  1. Load from file: NotH.zip (unzip first)
  2. Press Add/Remove explicit hydrogens button OR Press Press Dearomatize button (Ctrl+Alt+A)

image

Actual behavior System changes "!H" atoms to "Any atom" atoms image

Expected behavior Doesn't change

AlexeyGirin avatar Jan 14 '24 20:01 AlexeyGirin

Works as designed. 'A' means 'any atom except hydrogen': image

AliaksandrDziarkach avatar Jan 18 '24 11:01 AliaksandrDziarkach

Should be fixed. Atoms should not be changed

AlexeyGirin avatar Jan 22 '24 14:01 AlexeyGirin