ó
C™xTc           @   sÀ   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 l m Z d  d l m Z d  d l Z d	 „  Z d
 „  Z e d k r¼ e ƒ  e ƒ  d GHn  d S(   iÿÿÿÿ(   t   division(   t   file_reader(   t   flex(   t   crystal(   t   xrayN(   t   approx_equal(   t   StringIOc    	      C   s   t  j j d d d t j j ƒ }  |  d  k r6 d GHd  St j |  ƒ } | j	 j
 d } | j d d ƒ | j ƒ  } t | d ƒ s† t ‚ | j d	 t ƒ } | j d
 t ƒ } | j ƒ  d k sÂ t ‚ t t j | ƒ d ƒ sà t ‚ | j d
 t ƒ } | j ƒ  d k s
t ‚ t t j | ƒ d ƒ s(t ‚ | j ƒ  } t | d ƒ sIt ‚ | j d d ƒ | j d	 t ƒ } t ƒ  } | j d | ƒ | j ƒ  d k sœt ‚ d  S(   Nt   relative_paths   phenix_examples/p9-sad/p9.scat   tests:   phenix_examples/p9-sad/p9.sca not available, skipping testi    t   n_binsi2   g÷<Ú¨N·?t   use_binningt   measurable_onlyi±  g ‡Ú6Œ‚Þ?iI  gþRõáuÑ?g]ÜFHÒ@i
   t   fs0  unused:         - 28.4910 [   0/7   ]
bin  1: 28.4910 -  3.7555 [4161/4167] 79994.6693
bin  2:  3.7555 -  2.9819 [4160/4164] 47274.9530
bin  3:  2.9819 -  2.6052 [4175/4177] 17682.1962
bin  4:  2.6052 -  2.3672 [4133/4139] 10444.3793
bin  5:  2.3672 -  2.1976 [4115/4133] 9079.7295
bin  6:  2.1976 -  2.0680 [4180/4210] 6529.7430
bin  7:  2.0680 -  1.9645 [4076/4123] 5050.6608
bin  8:  1.9645 -  1.8790 [4109/4156] 3617.7585
bin  9:  1.8790 -  1.8067 [4115/4157] 2096.0724
bin 10:  1.8067 -  1.7443 [3957/4151] 1472.1231
unused:  1.7443 -         [   0/0   ]
(   t   libtbxt   envt   find_in_repositoriest   ost   patht   isfilet   NoneR   t   any_filet   file_servert   miller_arrayst   setup_binnert   measurabilityR   t   AssertionErrort   Truet   bijvoet_ratiost   sizeR   t   meant   Falset   wilson_plotR   t   showt   getvalue(	   t   hkl_filet   hkl_int   i_obst   meast   meas_binnedR   t   wilson_meant   wilson_binnedt   out(    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_miller_statistics.pyt   exercise   s4    		c          C   så  t  j d t j d t j d d. d d	 ƒ ƒ d
 t j t  j d d d d/ d0 d1 f d d ƒ t  j d d d d2 d d ƒ g ƒ ƒ }  |  j d d d d ƒ t	 |  j
 d d ƒ j ƒ  ƒ } | j ƒ  } | j ƒ  j ƒ  j ƒ  } | j d | ƒ } t j d ƒ | j ƒ  } t j | ƒ t j | j ƒ  ƒ } | j d | ƒ j d  d! ƒ } t j | d" ƒ t j | ƒ d# } | j d$ | j ƒ  d | j ƒ  | ƒ } | j ƒ  sžt ‚ | j | j ƒ  j ƒ  ƒ } | j | j ƒ  j ƒ  ƒ }	 |	 j ƒ  j ƒ  }
 |
 j | ƒ } | j ƒ  s	t ‚ t | j  ƒ  d% d& d' ƒs*t ‚ | j! d( d) ƒ j  ƒ  d* k sNt ‚ | j" ƒ  d k sft ‚ | j# ƒ  } t | d+ d& d, ƒs�t ‚ | j ƒ  } | j$ ƒ  d k  s±t ‚ | j% ƒ  d k  sÉt ‚ | j& ƒ  d- k  sát ‚ d  S(3   Nt   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   Ogžï§ÆK7É?gžï§ÆK7É¿g_Ò­£ªê?gš™™™™™¹?t   photong¤p=
×£ø?t   tablet   sasakit   d_ming      ð?i90  t   datat   u_isog333333Ã?g      à?i   t   sigmasg<NÑ‘\þï?t   epsgü©ñÒMbP?t   d_maxg333333ó?i    g¼­ôÚl¬´?g-Cëâ6?gš™™™™™©?(   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?('   R   t	   structureR   R+   t   symmetryR   t   xray_scatterert	   scatterert   set_inelastic_form_factorst   abst   structure_factorst   f_calcR,   t   expand_to_p1t	   f_as_f_sqt#   set_observation_type_xray_intensityt   customized_copyt   set_random_seedR   t   random_doubleR   R:   t   apply_debye_waller_factorst   doublet   is_unmerged_intensity_arrayR   t   selectt   centric_flagst   merge_equivalentst   arrayt   concatenateR   t   cc_one_halft   resolution_filtert   cc_anomt   r_anomt   r_merget   r_meast   r_pim(   t   quartz_structuret   fct   symmt   icalcR$   t   n_reflR<   t   errt   i_obs_centrict   i_obs_acentrict   i_mrg_acentrict   i_mixedt   r_anot   i_mrg(    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_miller_statistics.pyt   exercise_unmerged8   sZ    						"	#	!$t   __main__t   OK(   t
   __future__R    t   iotbxR   t   cctbx.array_familyR   t   cctbxR   R   t   libtbx.load_envR   t   libtbx.test_utilsR   t	   cStringIOR   t   os.pathR   R*   Rh   t   __name__(    (    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/regression/tst_miller_statistics.pyt   <module>   s   	,	8