Hans Hagen schrieb am 30.10.2024 um 11:25:
On 10/30/2024 1:21 AM, Bruce Horrocks wrote:
On 29 Oct 2024, at 23:22, Hans Hagen <j.ha...@xs4all.nl> 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
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Hans Hagen | PRAGMA ADE
Ridderstraat 27 | 8061 GH Hasselt | The Netherlands
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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.
A bit more low level but we're in educational mode anyway:
\starttexdefinition protected electrons#1#2
I would make the second argument optional.
\starttexdefinition protected tolerant electrons #=#=
Wolfgang
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