Author Topic: Display number of atoms  (Read 1372 times)

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Offline asanchez

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Display number of atoms
« on: July 26, 2015, 15:34 »
It'd be nice if you could tick a box somewhere to display the number of atoms whenever you visualize structures. It could also show the number of selected atoms (if any).

Maybe I'm missing something but in the builder the only way I know of knowing the number of selected atoms is by clicking Graphics > Properties... and looking at the "Editing X atoms" at the bottom of the Scene Properties window.

It'd be useful not only in the builder but also in windows like the 2D plot... tool. If you are for example visualising the local density of states of a subset of atoms using this tool it'd be nice to see how many atoms you have selected as with big structures and atoms being behind other atoms it can get tricky. I know you get the list of atoms at the top anyway and you can count them (or len() the list if you have many atoms) but being able to see the number right there would be a nice feature.

Offline Anders Blom

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Re: Display number of atoms
« Reply #1 on: July 27, 2015, 12:04 »
Another way is to open Coordinate Tools>Coordinate list, in the Builder at least.

But I agree it should be easier, and therefore I made my own plugin for it, which at least works quite nicely in the Builder (I could easily port it to the Viewer also if you find it useful). It's attached, install using AddOn Manager (Local install) and restart VNL to see it in the Builder (it has an "i" icon). Click it and see!

Your feedback is duly noted for future releases. Btw, I didn't quite get what you meant about "you get the list of atoms at the top"?

Offline asanchez

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Re: Display number of atoms
« Reply #2 on: July 27, 2015, 14:34 »
Nice plugin. Very useful information just a click away. If there's a way of using this in the 2D plot window it'd be very cool.

What I meant by "you get the list of atoms at the top" is the "Atom Indices" list you get in the 2D plot window (just above the tick boxes to select the types of orbitals). I've tried using len() on that list to get the number of atoms I have selected but it's a lot of hassle when you are doing several sets to be honest.

Thanks for this plugin!

Offline Anders Blom

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Re: Display number of atoms
« Reply #3 on: July 27, 2015, 16:41 »
I see what you mean. Yes, the DOS plot plugin generally needs a major overhaul, so this is something we can consider for the future version. Unfortunately it's also not a real "plugin", it uses code buried deep in the source, so it's not easy to hack it either and add some small label or print the number of selected atoms.