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Aromatizing doesn't work if "Any atom" together with something else present on the canvas

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/1446

Describe the bug Aromatizing doesn't work if "Any atom" together with something else present on the canvas

Steps to Reproduce

  1. Load from file: Source.zip
  2. Press Aromatize button (Alt+A)

Actual behavior Nothing happens

Expected behavior Benzen rings become aromatized

AlexeyGirin avatar Jan 12 '24 12:01 AlexeyGirin

Minimal molecule to reproduce is

null
  Ketcher  1252413502D 1   1.00000     0.00000     0

 11  9  0  0  0  0  0  0  0  0999 V2000
    8.0907  -10.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2247  -11.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2247  -10.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0907  -12.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9567  -10.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9567  -11.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8303  -11.3450    0.0000 A   0  0  0  0  0  0  0  0  0  0  0  0
    9.8865  -14.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8865  -15.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0205  -13.9366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7525  -13.9366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0     0  0
  1  5  1  0     0  0
  5  6  2  0     0  0
  6  4  1  0     0  0
  4  2  2  0     0  0
  2  3  1  0     0  0
  8  9  1  0     0  0
  8 10  1  0     0  0
  8 11  2  0     0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4   8   9  10  11
M  SMT   1 acetic acid
M  END

AliaksandrDziarkach avatar Jan 25 '24 10:01 AliaksandrDziarkach

Moved to Refined Backlog since no fix over 2 versions

AlexeyGirin avatar Apr 18 '24 06:04 AlexeyGirin