Open marquezj opened 1 year ago
Right, thanks. I will (probably after 3.6.0 is out) try to see if I can improve the error diagnostics, to produce a more helpful message in this case.
It might also be good with a way to rename labels on NCMATComposer objects, inspect the composition of labels, etc.
As we discussed, when you create an NCMATComposer object from a CIF file, it can be a bit confusing that the labels are not elements even for simple cases:
And instead: