Skip to content

Correct Singlet (2 electron) vs Doublet (1 single electron)#1149

Merged
egonw merged 1 commit intomainfrom
inchi-radicals
Jan 29, 2025
Merged

Correct Singlet (2 electron) vs Doublet (1 single electron)#1149
egonw merged 1 commit intomainfrom
inchi-radicals

Conversation

@johnmay
Copy link
Copy Markdown
Member

@johnmay johnmay commented Jan 29, 2025

Fixes #1024 - the Singlet/Double logic was the wrong way around

@sonarqubecloud
Copy link
Copy Markdown

@egonw egonw merged commit 0750f7b into main Jan 29, 2025
@egonw
Copy link
Copy Markdown
Member

egonw commented Jan 29, 2025

I need to brush up my radical chemistry, but wasn't a triple actually two single electrons? I will merge for now.

@johnmay
Copy link
Copy Markdown
Member Author

johnmay commented Jan 29, 2025

Which is what I have set I think?

@egonw egonw deleted the inchi-radicals branch March 1, 2025 08:48
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

Generated MDL misses radical

2 participants