I have seen the answer about alloys-by-elements. And that might work, I do wonder however, if there is a way of just checking by the symbols, as not having to worry about the kind object itself.
Hi @JPchico! Unfortunately, I think the (rather cumbersome) kind solution is the best I can think of at the moment. We’ve been working on a new StructureData type though (mostly to be able to add properties), and there I would simply add the formula (or chemical system) to the attributes directly in some fashion.
A workaround I’ve been using to keep my life simple is writing a loop that checks if the formula is in the extras for all StructureData, and adding it in case it isn’t. This is not a very satisfying solution however, since newly created StructureData won’t have these extras.
Hi @mbercx ! Sorry for the late reply I must have missed this notification.
No worries I understand, I was just wondering if there was a better way. I normally do store the formula in the extras, but I have to relabel nodes for exactly the reason that you are mentioning, new nodes do not have those extras.
But that is no problem will keep doing it that way