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Aromatizing bond custom query fails with error

Open AlexeyGirin opened this issue 1 year ago • 2 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 2.15.0-rc.4 Build at 2023-10-25; 14:15:43
  • Chrome Version 120.0.6099.130 (Official Build) (64-bit)
  • Win10
  • Issue found while testing https://github.com/epam/Indigo/issues/1446

https://github.com/epam/Indigo/assets/26869421/c0fbd305-1f31-45ef-9c56-0de4bc861bd5

Describe the bug Aromatizing bond custom query fails with error

Steps to Reproduce

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

Actual behavior System throws an error: Error Message struct data not recognized as molecule, query, reaction or reaction query image

Expected behavior Works as intended

AlexeyGirin avatar Jan 03 '24 18:01 AlexeyGirin

Custom query should contain valid smarts atom definition.

AliaksandrDziarkach avatar Jan 18 '24 08:01 AliaksandrDziarkach

Should not throw exception (Same behavior as #1510)

AlexeyGirin avatar Jan 24 '24 14:01 AlexeyGirin