epam / epam/Indigo

Simple keto-enol tautomerism logic

Open
#3,469 0 comments 0 reactions 0 assignees View on GitHub
Draft Tautomers
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 | Image |
| 04 | Image |
| 05 | Image |
| 06 | Image |
| 12 | Image |
| 15 | Image |
| 16 | Image |
| 22 | Image |

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

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