Dearomatization doesn't work if "Implicit H count" value greater than 2 if atom with Aromaticy query feature present on the canvas
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- Dominant language
- C++
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Description
Describe the bug
Dearomatization doesn't work if "Implicit H count" value greater than 2
Steps to Reproduce
- Load from file (unzip first): Dearomatization doesn't work if Implicit H count value greater than 2 if atom with Aromaticy query feature present on the canvas.zip
- Press Aromatize button (Ctrl+Alt+A)
- Press Dearomatize button (Ctrl+Alt+D)
Actual behavior
Dearomatization doesn't work if "Implicit H count" value greater than 2
Expected behavior
Dearomatization should work according to https://en.wikipedia.org/wiki/H%C3%BCckel%27s_rule
Environment details (please complete the following information):
- Indigo Toolkit Version 1.18.0-rc.9.0-gc7efb4e71-wasm32-wasm-clang-12.0.0
- Ketcher Version 2.18.0-rc9 Build at 2024-02-27; 16:16:47
- Chrome Version 122.0.6261.70 (Official Build) (64-bit)
- Win10
- Issue found while testing https://github.com/epam/Indigo/issues/1446
Contributor guide
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Reproduce the failure using the attached archive and the Aromatize and Dearomatize actions in the reported Ketcher/Indigo WASM environment. Trace the Indigo dearomatization entry point for the molecule containing an Aromaticy query feature and implicit H count greater than 2; done means the attached structure dearomatizes successfully according to the stated Hückel-rule expectation.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp, wasm
- Domain
- backend
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 42/100