ó
�™xTc           @   s3   d  d l  m Z d „  Z e d k r/ e ƒ  n  d S(   iÿÿÿÿ(   t   divisionc          C   so  d d l  m }  d d l m } d d l m } d d l m } d d l m } d } | j	 d | j
 d	 | j d
 d: d d ƒ ƒ d | j | j d d d d; d< d= f d d d d d d ƒ | j d d d d> d d" ƒ g ƒ ƒ } | j d# d$ ƒ j ƒ  } | j ƒ  j ƒ  } | j ƒ  j d% t ƒ j d  ƒ }	 |	 j d& | j |	 j ƒ  j ƒ  d$ ƒ ƒ j d  ƒ }
 | j d' d( ƒ } | j |	 d' d) d* d+ ƒ| j |
 d' d, d* d- ƒ| d. } | j ƒ  j | ƒ d/ | } | d0 | g } d1 } | j d2 | d3 j  | ƒ f ƒ j! ƒ  } d4 | j" k st# ‚ |  j$ | ƒ j% d5 ƒ } | j& j' d" } | j( ƒ  j) ƒ  j* ƒ  } | j+ ƒ  d" } | j, | ƒ d6 k s‡t# ‚ | j- d7 ƒ | j d2 | d3 j  | ƒ f ƒ j! ƒ  } d4 | j" k sÑt# ‚ |  j$ | ƒ j% d5 ƒ } | j& j' d" } | j( ƒ  j) ƒ  j* ƒ  } | j, | ƒ d6 k s,t# ‚ | j d' d( ƒ } | j |	 d' d) d* d+ ƒ| j ƒ  j | ƒ | d0 | g } | j d2 | d3 j  | ƒ f ƒ j! ƒ  } d4 | j" k s·t# ‚ |  j$ | ƒ j% d5 ƒ } | j& j' d" } | j( ƒ  j) ƒ  j* ƒ  } | j+ ƒ  d" } | j, | ƒ d6 k s"t# ‚ | j- d8 ƒ | j d2 | d3 j  | ƒ f ƒ } | j. d k sft# ‚ d9 GHd  S(?   Niÿÿÿÿ(   t   file_reader(   t   flex(   t   crystal(   t   xray(   t   easy_runt!   tmp_iotbx_simple_map_coefficientst   special_position_settingst   crystal_symmetryt	   unit_cellg
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@gáz®Gá@iZ   ix   t   space_group_symbolt   P6222t
   scattererst   labelt   Sit   sitei   g       @g      @t   ugš™™™™™É?t   fpgR¸…ëQÐ?t   fdpgÍÌÌÌÌÌÔ?t   Ogžï§ÆK7É?gžï§ÆK7É¿g_Ò­£ªê?i    t   d_ming      ð?t   degt   datat   column_root_labelt   It   PHIt   column_typest   Pt   FOMt   Ws   .mtzs
   %s_map.mtzs   output_file=%ss   iotbx.simple_map_coefficientss   %s %st    s   Applying weights in FOMt   hkli   s   map_type=anoms   use_weights=Truet   OK(   g
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@g
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@gáz®Gá@iZ   iZ   ix   g      à?g      à?gUUUUUUÕ?(   gžï§ÆK7É?gžï§ÆK7É¿g_Ò­£ªê?(/   t   iotbxR   t   cctbx.array_familyR   t   cctbxR   R   t   libtbxR   t	   structureR   t   symmetryt   xray_scatterert	   scatterert   structure_factorst   f_calct
   amplitudest	   f_as_f_sqt   average_bijvoet_matest   phasest   Truet   set_observation_typet   Nonet   customized_copyt   doubleR   t   sizet   as_mtz_datasett   add_miller_arrayt
   mtz_objectt   writet   fully_bufferedt   joint   raise_if_errorst   stdout_linest   AssertionErrort   any_filet   assert_file_typet   file_servert   miller_arrayst   fft_mapt   apply_sigma_scalingt   real_map_unpaddedt
   sites_fract   eight_point_interpolationt   appendt   return_code(   R   R   R   R   R   t	   file_baset   quartz_structuret   fcR   R   R   t   mtzt   mtz_filet   map_filet   argst   cmdt   resultt   map_int
   map_coeffst   real_mapR   (    (    sZ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/regression/tst_simple_map_coefficients.pyt   exercise   s�    					!	*

((("t   __main__N(   t
   __future__R    RU   t   __name__(    (    (    sZ   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/regression/tst_simple_map_coefficients.pyt   <module>   s   	U