ó
C™xTc           @   sª   d  d l  m Z d  d l m Z d  d l m Z d  d l m Z d  d l m Z d  d l m	 Z	 d  d l
 Z
 d d	 d
 d „ Z d „  Z d „  Z e d k r¦ e ƒ  n  d S(   iÿÿÿÿ(   t   division(   t   miller(   t   xray(   t   random_structure(   t   debug_utils(   t   flexNi   i   i    c         C   sm  t  j |  d d g | ƒ} | j d | d | ƒ j ƒ  } t | ƒ } t j d | d | j ƒ  d t j	 | j ƒ  ƒ ƒ } | j
 ƒ  } | j ƒ  } t j | j ƒ  | j ƒ  | j ƒ  | j ƒ  | j ƒ  | j ƒ  ƒ }	 |	 j ƒ  }
 |	 j ƒ  } t j | j ƒ  | j ƒ  | j ƒ  | j ƒ  | j ƒ  | j ƒ  ƒ } | j ƒ  } | j ƒ  } | |
 k sWt ‚ | d k sit ‚ d  S(	   Nt   elementst   constt   d_mint   anomalous_flagt
   miller_sett   datat   sigmasg:Œ0âŽyE>(   R   t   xray_structuret   structure_factorst   f_calct   absR   t   arrayR   R   t   sqrtt	   f_as_f_sqt   expand_to_p1R   t   mergert   indicesR   t   space_groupR	   t	   unit_cellt   bict   r_abst   AssertionError(   t   space_group_infoR	   t   n_scatterersR   t   verboset	   structureR   t   ft   gt	   merger_p1t   p1_bict   p1_rt
   merger_natt   nat_bict   nat_r(    (    sO   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_grouped_data.pyt   exercise	   s6    	3								c         C   s(   x! t  t f D] } t | | ƒ q Wd  S(   N(   t   Falset   TrueR(   (   t   flagsR   R	   (    (    sO   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_grouped_data.pyt   run_call_back)   s    c           C   s    t  j t j d t ƒ d GHd  S(   Ni   t   OK(   R   t   parse_options_loop_space_groupst   syst   argvR,   (    (    (    sO   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_grouped_data.pyt   run-   s    t   __main__(   t
   __future__R    t   cctbxR   R   t   cctbx.developmentR   R   t   cctbx.array_familyR   R/   R(   R,   R1   t   __name__(    (    (    sO   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_grouped_data.pyt   <module>   s   		