26 Jun
2012
26 Jun
'12
4:41 p.m.
On Tue, Jun 26, 2012 at 9:16 AM, Jan Marten Simons
as there seems to be no documentation on the direct_space_asu module I just tried to use it like I thought the function names imply.
The task I want to accomplish is checking whether a point in direct space is inside the asymmetric unit of a given unit cell.
A small testcase I wrote reveals that apparently .is_inside(point) only uses fractional coordinates instead of cartesian coordinates. Is there a nice/easy way to get the desired behaviour?
Yes, given a unit_cell object, you can do this: asu.is_inside(unit_cell.fractionalize(site_cart)) -Nat