[cctbxbb] Asymmetric Unit with cctbx

[Ralf W. Grosse-Kunstleve]

Hi Phillip,

sorry, that was an oversight. Replace

-  real_map = fft_map.real_map()
+  real_map = fft_map.real_map_unpadded()

and it should print identical values.

> Is there any reason for the different sizes of the tag_array and the 
> real_map? real_map.last() and tag_array.last() show different results.

That was exactly the problem. The real_map is padded because of FFT requirements. The tag_array is not.

.real_map_unpadded() will make a copy. There will be another copy to restore the padding in .structure_factors_from_map() call. The two copies can be avoided in C++, but it is to cumbersome from Python.

Ralf







       
____________________________________________________________________________________
Pinpoint customers who are looking for what you sell. 
http://searchmarketing.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.phenix-online.org/pipermail/cctbxbb/attachments/20070620/5ad304df/attachment.htm