[NTG-context] Re: Seeking Advice on Electron Configuration Notation in ConTeXt

[Hans Hagen <j.hagen@xs4all.nl>]

On 10/29/2024 11:33 PM, Jorge Manuel wrote:
> Hello everyone,
> 
> I’m searching for an efficient way to represent electronic 
> configurations in subshell and orbital notation within ConTeXt. I found 
> similar examples discussed on StackExchange, which you can see here:
> 
> Atomic electronic configuration with small boxes <https:// 
> tex.stackexchange.com/questions/372581/atomic-electronic-configuration- 
> with-small-boxes/372598#372598>: https://tex.stackexchange.com/ 
> questions/372581/atomic-electronic-configuration-with-small- 
> boxes/372598#372598 <https://tex.stackexchange.com/questions/372581/ 
> atomic-electronic-configuration-with-small-boxes/372598#372598>
> 
> Box and arrow notation of writing electron configuration
> https://tex.stackexchange.com/questions/616989/box-and-arrow-notation- 
> of-writing-electron-configuration <https://tex.stackexchange.com/ 
> questions/616989/box-and-arrow-notation-of-writing-electron-configuration>
> 
> Ideally, I’d like to use a package similar to atoms.sty for this 
> purpose. Does anyone know of a straightforward approach to achieve this 
> in ConTeXt?
> 
> Thank you very much for any guidance or examples!

It's no problem to come up with something as this kind of stuff is 
rather trivial but (as always with these things in context) the question 
is "what is the nicest interface?".

\definesymbol[electronu][\m{\upharpoonleft}]
\definesymbol[electrond][\m{\downharpoonright}]
\definesymbol[electronb][\m{\upharpoonleft\downharpoonright}]

\starttexdefinition protected electrons#1
     \dontleavehmode
     \doloopovermatch {.} {#1} {
         \inframed
           [width=\lineheight,height=\lineheight]
           {\symbol[electron##1]}
         \hskip-\linewidth
     }
     \unskip
\stoptexdefinition

\electrons{bddb}

\electrons{uddbuud}

Don't look at other packages, just think about what is best and most 
natural for the field, reading the source, and intreface wise fits into 
context (looks ok in the source, not like some hack). The above is just 
an example. We can always make clever parsers in lua but we need specs 
and examples first. Like, do you want to color specific electrons? Maybe 
this is enough:

\definesymbol[electronB][\m{\red \symbol[electronb]}]
\definesymbol[electronD][\m{\blue\symbol[electrond]}]

\electrons{uddBbuDd}

Hans


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