ó
£™xTc           @   sˆ   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 „  Z e d k r„ e ƒ  d	 GHn  d
 S(   iÿÿÿÿ(   t   division(   t   StringIO(   t	   show_diff(   t   null_out(   t   easy_pickle(   t
   group_argsc          C   sÂ  d d l  m }  d d l m } d d  l } d d l m } d } |  j d | ƒ } |  j d d d d d	 t	 d
 d d d d d ƒ t	 d
 d d d d d ƒ g ƒ } | | ƒ } | j
 j } | j j j | d t ƒ  ƒ\ } }	 | j d | d | j
 j ƒ  ƒd d d g }
 | j d |
 d t ƒ  ƒ } t ƒ  } | j d | ƒ t j | ƒ } t j | ƒ } t ƒ  } | j d | ƒ t | j ƒ  | j ƒ  ƒ sšt ‚ | j d k r¸| j d k s¾t ‚ d  S(   Niÿÿÿÿ(   t   make_fake_anomalous_data(   t   validate_waters(   t   any_filet   tst_validate_waters_1t	   file_baset   d_ming      ø?t   anomalous_scattererst	   selections
   element CDt   fpg�Âõ(\�Ò¿t   fdpgœÄ °rh@s
   element CLgü©ñÒMbÐ?g      à?t   logs   %s_start.pdbt   crystal_symmetrys   tst_validate_waters_1_start.pdbs   tst_validate_waters_1.mtzs   skip_twin_detection=Truet   argst   outi   i   (   t   mmtbx.regressionR   t   mmtbx.command_lineR   t   mmtbx.ions.utilst   iotbx.file_readerR   t   write_pdb_input_cd_clt   generate_mtz_fileR   t   file_objectt	   hierarchyt   ionst   utilst   anonymize_ionsR   t   write_pdb_fileR   t   runR   t   showR   t   dumpst   loadsR   t   getvaluet   AssertionErrort   n_badt   n_heavy(   R   R   t   mmtbxR   R
   t   pdb_filet   mtz_filet   pdb_inR   t   nR   t   resultsR   t   st   r2t   out2(    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/validation/regression/tst_waters.pyt   exercise_heavy	   s6    	!$			"t   __main__t   OKN(   t
   __future__R    t	   cStringIOR   t   libtbx.test_utilsR   t   libtbx.utilsR   t   libtbxR   R   R1   t   __name__(    (    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/validation/regression/tst_waters.pyt   <module>   s   	!