Incorrect behavior when both charge and valence are set, leading to inconsistent atom validation - Githubissues

epam / ketcher

Web-based molecule sketcher

https://lifescience.opensource.epam.com/ketcher/demo.html

Apache License 2.0

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Incorrect behavior when both charge and valence are set, leading to inconsistent atom validation #5852

Open Zhirnoff opened 1 month ago

Zhirnoff commented 1 month ago

Steps to Reproduce

Open Ketcher and draw any chemical structure.
Select an atom and assign both a charge and a valence to it.
Observe validation and behavior of the atom's properties on canvas.

Actual behavior

Both charge and valence are being considered simultaneously, leading to validation errors that are not in line with the expected behavior.
The atom is underlined incorrectly, indicating an error when the valence is greater than 1, even though the valence should take precedence and resolve the issue.
This behavior differs from other toolkits that only consider valence if it is explicitly set.

Expected behavior

When valence is specified, all other parameters (e.g., charge, radicals) should be ignored.
If only charge is set, the charge should be used in validation.
If both valence and other parameters (like charge) are set, only valence should be considered, and the validation should reflect that.

Screenshots 2024-10-24_14h36_26 image (2)

Desktop:

OS: Windows 11
Browser Chrome
Version 128.0.6613.120 (Official Build) (64-bit)

Ketcher version [Version 2.26.0-rc.5] Indigo version [Version 1.25.0-rc.3]