epam / epam/Indigo

Adding/Removing hydrogens changes layout of molecule (and lenght of bonds) if molecule contains bond of non-default length

Open
#3,716 2 comments 0 reactions 0 assignees View on GitHub
Micromolecules canvas Priority: Medium
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Describe the bug**
Adding/Removing hydrogens changes layout of molecule (and lenght of bonds) if molecule contains bond of non-default length

**Steps to Reproduce**
1. Put simple bond on the canvas and enlarge its length
2. Press Add/Remove explicit hydrogens button
![image](https://github.com/epam/Indigo/assets/26869421/a4bac3c6-e347-4f93-a776-be8ec1ebf64d)

**Actual behavior**
Position of the molecule has been changed, length of bonds has been changed
![image](https://github.com/epam/Indigo/assets/26869421/80f98ab8-8542-48a6-8eef-b4990ceaece2)

**Expected behavior**
Molecule and its bonds remain in place
![image](https://github.com/epam/Indigo/assets/26869421/61f7b749-418e-4e84-8044-9d45cd1f4c34)

**Environment details (please complete the following information):**
- Indigo Toolkit Version 1.18.0-rc.8.0-g85a393c7c-x86_64-linux-gnu-11.2.1
- Ketcher Version 2.18.0-rc.8 Build at 2024-02-22; 17:34:35
- Chrome Version 122.0.6261.58 (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

Start by reproducing the issue in Ketcher 2.18.0 using the listed steps: enlarge a simple bond, then use the Add/Remove explicit hydrogens button. Compare the molecule position and bond length before and after; done means both remain unchanged for bonds with non-default lengths.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
computer-graphics, frontend
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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