epam / epam/Indigo

Incorrect chirality error

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#3,334 0 comments 0 reactions 0 assignees View on GitHub
Priority: Low Stereochemistry
Dominant language
C++
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Avg merge
2d 11h
Merged PRs (30d)
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Description

**Steps to Reproduce**
1. Go to Ketcher micromolecules mode
2. Draw any structure where an atom has three or four bonds (one of them a stereo bond). For example:
![image](https://github.com/epam/Indigo/assets/169887211/535575d4-20d1-4c81-9ff1-2bdb5af299ad)
Extended SMILES: `C[N@@](C)C`
4. Select check structure

**Actual behavior**

Ketcher gives the following error message:
![image](https://github.com/epam/Indigo/assets/169887211/194a9223-1a2e-4437-b449-38fb25b45761)

**Expected behavior**
No warning should be show.
Ketcher should display a chirality warning message only when:
1. There is an atom that can be a chiral center. Related issue [#4755](https://github.com/epam/Indigo/issues/2679)
2. That atom is a chiral center (is connected to four different atoms/groups).

**Closely related issue: [#4754](https://github.com/epam/Indigo/issues/2678)**

**Ketcher version v2.21.0**

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