ó
;xTc           @   sc   d  d l  m Z d  d l m Z d  d l m Z d  d l m Z d   Z e d k r_ e   n  d S(   i’’’’(   t   division(   t   xray(   t   crystal(   t   flexc          C   sß   t  j d d d d  }  t j   } | j t j d d d d   | j t j d d
 d d   t j d |  d |  } | j   j	   H| j
 d d  H| j   } | j   j	   H| j   } | j   j	   Hd GHd S(   s  
  Result of ICSD query:
    N * -Cr2O3-[R3-CH] Baster, M.;Bouree, F.;Kowalska, A.;Latacz, Z(2000)
    C 4.961950 4.961950 13.597400 90.000000 90.000000 120.000000
    S GRUP R -3 C
    A Cr1    0.000000 0.000000 0.347570 0.000000
    A O1    0.305830 0.000000 0.250000
  t	   unit_cells:   4.961950 4.961950 13.597400 90.000000 90.000000 120.000000t   space_group_symbols   R -3 Ct   labelt   Cr1t   siteg        g­Ä=>Ö?t   O1gū®ž·Ó?g      Š?t   crystal_symmetryt
   scattererst   distance_cutoffg      @t   OKN(   g        g        g­Ä=>Ö?(   gū®ž·Ó?g        g      Š?(   R   t   symmetryR   t   xray_scatterert   appendR   t	   scatterert	   structuret   show_summaryt   show_scattererst   show_distancest   primitive_settingt   expand_to_p1(   R
   R   t   icsd_structuret   primitive_structuret   p1_structure(    (    sQ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/examples/cr2o3_primitive_cell.pyt   demo   s,    					t   __main__N(	   t
   __future__R    t   cctbxR   R   t   cctbx.array_familyR   R   t   __name__(    (    (    sQ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/examples/cr2o3_primitive_cell.pyt   <module>   s   	 