epam / epam/Indigo

Add/Remove hydrogens doesn't work for Dative and Hydrogen bonds with Ring Topology

Open
#1,832 0 comments 0 reactions 0 assignees View on GitHub
Priority: Low query features phase II
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Steps to Reproduce**
1. Put on the canvas single dative bond and single hydrogen bonds with ring topology
2. Press Add/Remove implicit hydrogens button
![image](https://github.com/epam/Indigo/assets/26869421/dad98acf-3f48-4a8e-98e4-390ac8d046f4)
![image](https://github.com/epam/Indigo/assets/26869421/eadff6e8-5a6b-4257-af3c-84034f493a96)

**Actual behavior**
Nothing happens
![image](https://github.com/epam/Indigo/assets/26869421/b3589505-193a-4ffb-ab86-1ae15dbf0411)
![image](https://github.com/epam/Indigo/assets/26869421/d78436bd-7384-4c05-887a-69797b96acc0)

**Expected behavior**
System shows 4 hydrogens for each carbon
![image](https://github.com/epam/Indigo/assets/26869421/b393d5af-f250-467f-8636-1009ff0b2c15)
![image](https://github.com/epam/Indigo/assets/26869421/281f96f1-c2cc-4762-83eb-c1c647e3d640)

**Ketcher version** [e.g. v2.4.2].
- Indigo Toolkit Version 1.18.0.0-g73c32dec3-wasm32-wasm-clang-12.0.0
- Ketcher Version 2.19.0-rc.2 Build at 2024-03-11; 12:30:30
- Chrome Version Version 122.0.6261.112 (Official Build) (64-bit)
- Win10
- Issue found while testing https://github.com/epam/Indigo/issues/1436

Contributor guide

No contributing guide indexed for this repository

Research direction

Reproduce the issue in Ketcher using the Add/Remove implicit hydrogens button with dative and hydrogen bonds that have ring topology, using the Indigo and Ketcher versions listed. Trace the implicit-hydrogen handling from that action and verify that each carbon displays four hydrogens for both examples without changing other bond behavior.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp, wasm
Domain
tooling
Issue type
Bug
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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