ó
3™xTc           @   su   d  d l  m Z d  d l m Z d  d l m Z d  d l m Z d „  Z d „  Z	 d „  Z
 e d k rq e
 ƒ  n  d	 S(
   iÿÿÿÿ(   t   division(   t   itvc_section61_io(   t   international_tables_stols(   t   OptionParserc         C   sa   | j  | ƒ s] d G|  GHxB t | | | ƒ D]+ \ } } } | | k r+ | G| G| GHq+ q+ Wn  d  S(   Ns
   Different:(   t   all_eqt   zip(   t   labelt   stolst   y0t   y1t   stolt   y0it   y1i(    (    s[   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/eltbx/development/itvc_cross_validation.pyt   show_differences_if_any   s
    	"c         C   s{  t  |  ƒ d k s t ‚ g  } x$ |  D] } | j t j | ƒ ƒ q% Wi  } x, | D]$ } x | j D] } d | | <qb WqR W| j ƒ  } xî| D]æ} | d j j | d  ƒ } | d j j | d  ƒ } | | g j
 d  ƒ d k r�| j | j k st | | j | j f ƒ ‚ | j | j k s:t | | j | j f ƒ ‚ t | j j ƒ  | j j ƒ  ƒ } t d | d | j |  d | j |  d t |  ƒ n  xá | D]Ù } | j j | d  ƒ }	 |	 d  k	 r–|	 j |	 j k r–| j j |	 j d  ƒ }
 |
 |	 g j
 d  ƒ d k ro|
 j j ƒ  d k st ‚ |	 j j ƒ  d k s8t ‚ t d | d |
 j d	 d |	 j d	 d t d	 ƒ qoq–q–Wq� Wd  S(
   Ni   i   i    R   R   R	   R   i>   iúÿÿÿ(   t   lent   AssertionErrort   appendR   t   read_table6111t   elementst   keyst   entriest   gett   Nonet   countt   atomic_numbert   methodt   mint   table_yt   sizeR   R   t   elementt   atomic_symbol(   t
   file_namest   tabst	   file_namet
   all_labelst   tabR   t   e0t   e1t   min_sizet   eit   ee(    (    s[   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/eltbx/development/itvc_cross_validation.pyt   run   sF     !c          C   sR   t  d d ƒ }  |  j ƒ  \ } } t | ƒ d k rA |  j ƒ  d  St d | ƒ d  S(   Nt   usages5   usage: python %prog [options] file_name_1 file_name_2i   R   (   R   t
   parse_argsR   t
   print_helpR)   (   t   parsert   optionst   args(    (    s[   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/eltbx/development/itvc_cross_validation.pyt   main1   s    	
t   __main__N(   t
   __future__R    t   cctbx.eltbx.developmentR   t   cctbx.eltbx.gaussian_fitR   t   libtbx.option_parserR   R   R)   R0   t   __name__(    (    (    s[   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/eltbx/development/itvc_cross_validation.pyt   <module>   s   		$		