> On 29 Oct 2024, at 23:22, Hans Hagen <[email protected]> wrote:
>
> 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
>
>
> -----------------------------------------------------------------
> Hans Hagen | PRAGMA ADE
> Ridderstraat 27 | 8061 GH Hasselt | The Netherlands
> tel: 038 477 53 69 | www.pragma-ade.nl | www.pragma-pod.nl
> -----------------------------------------------------------------
Also, as per the images in the StackExchange question, try adding this to the
previous example:
%% start %%
Nitrogen: \vbox to \lineheight{\placeontopofeachother{\electrons{b}}{\tfx 1s}}
\vbox to \lineheight{\placeontopofeachother{\electrons{b}}{\tfx 2s}}
\vbox to \lineheight{\placeontopofeachother{\electrons{uuu}}{\tfx 2p}}
%% end %%
As Hans says, a parser is relatively easy, so the above can be made much less
verbose if the layout is suitable. I think the message is: you don’t need to
blindly copy \subshells if there is something easier to enter with less chance
of error.
Regards,
—
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