ó
H™xTc           @   sÝ   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	 m
 Z
 d  d l m Z d  d	 l m Z d  d
 l Z d d d d d „ Z d „  Z d „  Z e d k rÙ e ƒ  n  d
 S(   iÿÿÿÿ(   t   division(   t
   statistics(   t   miller(   t   adptbx(   t   random_structure(   t   debug_utils(   t   flex(   t   dicts(   t	   show_diffNg      ð?iÈ   i
   i    c         C   s»  d. } t  j |  d | d d d d	 d
 t d t d t j d ƒ ƒj d | d | d d ƒ } d sf | ry | j ƒ  j ƒ  n  t j	 d ƒ } x | D] }	 | |	 c d 7<q� Wt
 | j ƒ  ƒ }
 |
 j d t d | d | ƒ d sã | rö |
 j ƒ  j ƒ  n  xd d d d d g D]ÿ} t j d |
 d |
 j ƒ  | ƒ j ƒ  } | j |
 ƒ t j | | d t ƒ} d sk| r¨d G| j G| j GHd G|  j ƒ  j ƒ  j ƒ  GHd G| j GHn  d  | j | k  oÆd! k  n sÑt ‚ d" | j | | k  oód# k  n sþt ‚ d$ | j k  od% k  n s#t ‚ | j ƒ  j | j k sAt ‚ |  j ƒ  j ƒ  r d& | j k  omd' k  n sxt ‚ d( | j  k  o’d) k  n sêt ‚ nJ d* | j k  oºd& k  n sÅt ‚ d+ | j  k  oßd( k  n sêt ‚ | j! j" ƒ  | j" ƒ  k st ‚ qW|
 j d t# j$ |
 j% ƒ  j" ƒ  d ƒ ƒ } | j |
 ƒ | j ƒ  j& ƒ  } y t j | | ƒ WnH t' k
 r¶} t( t) | ƒ d, | | | j% ƒ  j" ƒ  f ƒ s·t ‚ n Xd  S(/   Nt   Nt   Ct   Oi   t   elementst   volume_per_atomg      I@t   min_distanceg      ø?t   general_positions_onlyt   use_u_anisot   u_isoi
   t   anomalous_flagt   d_mint	   algorithmt   directi    i   t   auto_binningt   reflections_per_bint   n_binsgš™™™™™¹?g{®Gáz„?id   t
   miller_sett   datat   e_statisticss   wilson_k, wilson_b:s   space group:s   <E^2-1>:gš™™™™™é?g333333ó?g{®Gázä?g
×£p=
÷?i	   i   gÍÌÌÌÌÌì?g�Âõ(\�ò?g333333	@g      @gÍÌÌÌÌÌä?g      ð?sj   wilson_plot error: %d empty bins:
  Number of bins: %d
  Number of f_obs > 0: 0
  Number of f_obs <= 0: %d(   R	   R
   R
   R   (   R	   R
   R
   R   R	   R
   R
   R   R	   R
   R
   R   R	   R
   R
   R   R	   R
   R
   R   (*   R   t   xray_structuret   Truet   FalseR   t   b_as_ut   structure_factorst   show_summaryR   t   with_default_valuet   abst   f_calct   setup_binnert   binnerR   t   arrayR   t#   set_observation_type_xray_amplitudet   use_binner_ofR   t   wilson_plott   wilson_kt   wilson_bt   groupt   typet   hall_symbolt   mean_e_sq_minus_1t   AssertionErrort   wilson_intensity_scale_factort   xy_plot_infot   fit_correlationt
   is_centrict   percent_e_sq_gt_2t   normalised_f_obst   sizeR   t   doublet   indicest   n_bins_usedt   RuntimeErrorR   t   str(   t   space_group_infoR   R   R   R   t   verboseR   R    t   asu_contentst   elemR$   t   k_givent   f_obst   wpt   e(    (    sN   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_wilson_plot.pyt   exercise   sd     		)-%%(%%%*c         C   s1   x* t  t f D] } t | | d |  j ƒq Wd  S(   NR?   (   R   R   RF   t   Verbose(   t   flagsR>   R   (    (    sN   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_wilson_plot.pyt   run_call_backF   s    c           C   s   t  j t j d t ƒ d  S(   Ni   (   R   t   parse_options_loop_space_groupst   syst   argvRI   (    (    (    sN   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_wilson_plot.pyt   runJ   s    t   __main__(   t
   __future__R    t   cctbxR   R   R   t   cctbx.developmentR   R   t   cctbx.array_familyR   t   scitbx.python_utilsR   t   libtbx.test_utilsR   RK   RF   RI   RM   t   __name__(    (    (    sN   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_wilson_plot.pyt   <module>   s   9		