Calculating CIP for chiral centers with four bonds (one of them a stereo-bond)
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- Dominant language
- C++
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Description
**Steps to Reproduce**
1. Go to Ketcher micromolecules mode
2. Draw any structure with a chiral center that has four bonds, where only one is a stereo-bond. For example:
3. Select Calculate CIP
**Actual behavior**
Ketcher calculates CIP.
**Expected behavior**
A chiral center is an atom who:
1. Can be chiral center. Related issue [#4755](https://github.com/epam/Indigo/issues/2679)
2. Is a chiral center (is attached to four different groups/atoms).
If a chiral center has four single drawn bonds, and only one of them is a stereo-bond, Ketcher shouldn't calculate CIP for that chiral center.
> In the future we might want to think about assigning a stereo-label of (?) after "Calculate CIP is selected"
**Closely related issue [#4812](https://github.com/epam/ketcher/issues/4812)**
**Ketcher version v2.22.0**
Contributor guide
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Reproduce the reported structure in Ketcher micromolecules mode using Calculate CIP, starting with the behavior described for Ketcher v2.22.0 and the related issues. Trace the CIP-calculation entry point for a chiral center with four drawn single bonds and one stereo-bond; done means CIP is not calculated for that center.
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