epam / epam/Indigo

Add/Remove hydrogens doesn't work for Double CIS/Trans bonds sometimes

Open
#1,817 0 comments 0 reactions 1 assignee Claimed by @AliaksandrDziarkach 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. Load from file using New Project way: [IndigoException - stereocenters - cannot unfold hydrogens for stereocenter without implicit hydrogens.zip](https://github.com/epam/Indigo/files/14604598/IndigoException.-.stereocenters.-.cannot.unfold.hydrogens.for.stereocenter.without.implicit.hydrogens.zip)
2. Press Add/Remove explicit hydrogens button to fold hydrogens
![image](https://github.com/epam/Indigo/assets/26869421/ba0a665a-618e-4cdf-b53c-cf92bfb3155f)

**Actual behavior**
System throws exception: IndigoException: stereocenters: cannot unfold hydrogens for stereocenter without implicit hydrogens
![image](https://github.com/epam/Indigo/assets/26869421/88e455e0-a792-4bb3-842d-8057abaca0a5)
![image](https://github.com/epam/Indigo/assets/26869421/1a8aeea3-446a-4cec-addd-40f4ce69af11)
[rc.test.lifescience.opensource.epam.com-1710430657501.log](https://github.com/epam/Indigo/files/14604613/rc.test.lifescience.opensource.epam.com-1710430657501.log)

**Expected behavior**
No exception
![image](https://github.com/epam/Indigo/assets/26869421/b29ba7f7-f19e-490c-975c-1ea9bcfd41b6)

**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

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.