bug in is_isomorphous cell comparison

[tjlane]

The method documentation says:

reciprocalspaceship/reciprocalspaceship/dataset.py

Lines 1191 to 1192 in ceae60e

	cell_threshold : float
	Acceptable percent difference between unit cell parameters

But the code looks for an absolute change:

reciprocalspaceship/reciprocalspaceship/dataset.py

Line 1217 in ceae60e

if (np.abs((param1 - param2)) / 100.0) > cell_threshold:

By default this will return False if the cells differ by more than 5 Å or 5 degrees in any case.

I'd suggest we change this to make it relative, as the documentation indicates.

[kmdalton]

Can confirm. This is a bug. I like your proposal.

[kmdalton]

what's a reasonable default for the cell_threshold? i think 0.5% is in the right ballpark. @tjlane

[kmdalton]

fixed in #279