epam / epam/Indigo

Aromatization turns "Implicit H count" values to Valence values (and vanish if Implicit H count=1)

Open
#1,758 1 comment 0 reactions 0 assignees View on GitHub
Priority: Low Query features
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Describe the bug**
Aromatization turns "Implicit H count" values to Valence values (and vanish if Implicit H count=1)

**IMPORTANT:** "Implicit H count" values are not visible on the canvas because of https://github.com/epam/ketcher/issues/3529 issue

**Steps to Reproduce**
1. Load from file (unzip first): [Aromatization turns Implicit H count values to Valence values (and vanish if Implicit H count=1).zip](https://github.com/epam/Indigo/files/14435928/Aromatization.turns.Implicit.H.count.values.to.Valence.values.and.vanish.if.Implicit.H.count.1.zip)
2. Press Aromatize button (Ctrl+Alt+A)
![image](https://github.com/epam/Indigo/assets/26869421/578a1793-2d25-4d09-82eb-81d13172d67d)

**Actual behavior**
Aromatization turns "Implicit H count" values to Valence values (and vanish if Implicit H count=1)
![image](https://github.com/epam/Indigo/assets/26869421/3877c343-db91-4bb9-9b7a-fedba048ea42)

**Expected behavior**
Aromatization works as intended
![image](https://github.com/epam/Indigo/assets/26869421/d958a639-70e9-44fb-87fc-4b08ad270890)

**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

No contributing guide indexed for this repository

Research direction

Reproduce the failure using the attached ZIP, then press Aromatize (Ctrl+Alt+A) and compare the implicit H count and valence values before and after. Trace the aromatization entry point and related handling of these values; done means implicit H counts are preserved as expected and the regression is covered by an appropriate test.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
tooling
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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