[cctbxbb] sgtbx.space_group and sgtbx.space_group_info query

Ben Williams ben.williams at diamond.ac.uk
Wed Oct 9 09:08:34 PDT 2019


Dear CCTBX devs,

   What is a sgtbx.space_group_info object, and why does it do something 
subtly different to sgtbx.space_group?

     >>> from cctbx import sgtbx
     >>> 
print(sgtbx.space_group('C2').type().universal_hermann_mauguin_symbol())
     P 1 2 1 (c,2*a+c,b)
     >>> 
print(sgtbx.space_group_info('C2').group().type().universal_hermann_mauguin_symbol())
     C 1 2 1

sgtbx.space_group_info is notably lacking in docstring (or indeed 
comments in the code). sgtbx.space_group isn't too hot on the 
documentation either...

   Cheers,
    Ben

-- 
Ben Williams
Post-doctoral research associate
Scientific Software
Diamond Light Source


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