Simple keto-enol tautomerism logic
- Dominant language
- C++
- Stars
- 406
- Forks
- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
**Background**
This ticket will describe the simplest instances of keto-enol tautomerism - where a single and double bond change positions resulting in a movement of a single hydrogen atom.
**Requirement**
- In a configuration H-X-Y=Z, where X and/or Z are highly electronegative atoms (O or N), a change in configuration of X=Y-Z-H is allowed if the valences of the elements allow that configuration of bonds.
**Examples**
| Number | Image |
| --- | --- |
| 03 | |
| 04 | |
| 05 | |
| 06 | |
| 12 | |
| 15 | |
| 16 | |
| 22 | |
Contributor guide
No contributing guide indexed for this repository
Research direction
The issue names no source files, tests, or entry points. Start by locating the existing tautomerism logic in the Indigo C++ codebase, then compare its behavior with the listed examples and valence rule. Done means the supported keto-enol transformations are implemented and covered by tests for the stated cases.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp
- Domain
- tooling
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100