ó
�™xTc           @   sÀ   d  d l  m Z d  d l Z d  d l Z d  d l m Z m Z d  d l m Z m	 Z	 d  d l
 m Z d  d l
 m Z d  d l m Z d  d l m Z d	 „  Z d
 „  Z e d k r¼ e ƒ  n  d S(   iÿÿÿÿ(   t   divisionN(   t   approx_equalt   Exception_expected(   t   variatet   bernoulli_distribution(   t   random_structure(   t   debug_utils(   t   adptbx(   t   shelxc         C   s  t  j | d d d d d t d t d t ƒ} | j ƒ  | j ƒ  x« t j t t d ƒ ƒ | j	 ƒ  ƒ D]… \ } } | j
 j t ƒ | r» | j
 j t ƒ | j
 j t ƒ | j
 j t ƒ qf | j
 j t ƒ | j
 j t ƒ | j
 j t ƒ qf W| j ƒ  j ƒ  o| j ƒ  j ƒ  } y. t t j j | d	 d
 d d d t ƒƒ } Wn9 t k
 r}| rwd | j ƒ  j ƒ  j ƒ  GHd  S‚  n X| r�t ‚ n  t j d j | ƒ ƒ } | j d | ƒ } | j  ƒ  j! | j  ƒ  d d d d ƒ| j" ƒ  } | j" ƒ  }	 xt j | j	 ƒ  | j	 ƒ  ƒ D]ó \ } }
 | j# j$ ƒ  |
 j# j$ ƒ  k sCt ‚ | j% |
 j% k s[t ‚ | j
 j& |
 j
 j& k syt ‚ t' | j( |
 j( d d ƒsšt ‚ | j
 j) ƒ  rÍt' | j* |
 j* d d ƒst ‚ qt' t+ j, | | j- ƒ t+ j, |	 |
 j- ƒ d d ƒst ‚ qWd  S(   Nt   elementst   randomt   n_scatterersi
   t	   use_u_isot   random_u_isot   use_u_anisogš™™™™™Ù?t    full_matrix_least_squares_cyclesi   t   weighting_scheme_paramsi    t   sort_scattererss9   Skipped %s
  because it is centric but not origin centrict    t   filet   relative_length_tolerancegü©ñÒMbP?t   absolute_angle_tolerancet   epsg�íµ ÷Æ°>gñhãˆµøä>(   i    i    (.   R   t   xray_structuret   Truet   apply_symmetry_sitest   apply_symmetry_u_starst	   itertoolst   izipR   R   t
   scattererst   flagst   set_grad_sitet   set_use_u_isot   set_use_u_anisot   Falset   set_grad_u_isot   set_grad_u_anisot   space_groupt
   is_centrict   is_origin_centrict   listR   t   writert	   generatort   AssertionErrort   typet   hall_symbolR   t	   cStringIOt   StringIOt   joint
   from_shelxt   crystal_symmetryt   is_similar_symmetryt	   unit_cellt   labelt   uppert   scattering_typet   bitsR   t   siteR   t   u_isoR   t   u_star_as_u_cift   u_star(   R   t   space_group_infot   xst	   isotropict   sct   not_origin_centrict   inst   xs1t   uct   uc1t   sc1(    (    sD   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/shelx/tst_writer.pyt   exercise   sh    	

	+$!$c          C   s'   d d  l  }  t j |  j d t ƒ d  S(   Niÿÿÿÿi   (   t   sysR   t   parse_options_loop_space_groupst   argvRG   (   RH   (    (    sD   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/shelx/tst_writer.pyt   runI   s    t   __main__(   t
   __future__R    R   R.   t   libtbx.test_utilsR   R   t   scitbx.randomR   R   t   cctbx.developmentR   R   t   cctbxR   t   iotbxR   RG   RK   t   __name__(    (    (    sD   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/shelx/tst_writer.pyt   <module>   s   	>	