29 Jun
2012
29 Jun
'12
5:27 a.m.
Hi Jan,
I'm looking for a simple and fast way to set individual scatterers to be either included or excluded from structure factor calculation.
I recommend not to do that. Instead I would create a new instance of xray.structure with those scatterers you want, using the the methods xxx_selection and then the method select, and then use it for structure factor calculations. Best wishes, Luc