On 12 Mar 2013, at 18:19, Jan Marten Simons wrote:
Seems I praised emma a little bit too soon, as this example leads to an exception:
[...] m = emma.model_matches( xs1.as_emma_model(), xs2.as_emma_model(), tolerance=0.5, break_if_match_with_no_singles=False ).refined_matches[0] <<<<<<<<<<<<<<<<<<<<<<<<
You get an "list index out of range" at the point I marked, don't you? That means emma has not found any match. You should always assert that .refined_matches is not empty in production code.
I've got no idea as to why those two (random) structures cannot be compared. Have I found a bug in emma?
In one of the structure the distance between the 2 scatterers is 1.75 whereas it is 0.06 in the other one. There is therefore no isometry that can map xs1 onto xs2 and emma behaves correctly here. Best wishes, Luc