(minor) Make attributes of NeighbourWrapper @properties
It would be nice if self.specie, self.spec_encoded_row, self.cartesian_row, self.cartesian_col
were properties. I was tinkering with NeighbourWrapper
and wondering why self.species
was None
. It took me a a while to figure out I needed to run compute_distances
to populate them. I see there's already ValueError raised here, but it's only raised when rdf
is called. If these attributes were promoted to properties one could simple raise this exception everytime self.species
is called.