ó
Ë™xTc           @   s‹   d  d l  m Z d  d l Z d  d l 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  n  d S(	   iÿÿÿÿ(   t   divisionN(   t   load(   t   fully_buffered(   t   generate_zinc_inputs(   t	   ion_classc    	      C   s  d }  t  d t ƒ \ } } d | d | d j |  ƒ g } t d d j | ƒ ƒ j ƒ  t j | ƒ t j t j j	 | ƒ d d	  d
 ƒ t j | ƒ t j t j j	 | ƒ d d	  d ƒ t j j	 | ƒ d d } t
 | ƒ } t j | ƒ t | ƒ d k st ‚ xó | D]ë \ } } | d  k	 s,t ‚ | d  k	 s>t ‚ xA | j D]6 } t | | ƒ d  k rHd j | ƒ GHt j ƒ  qHqHWxt | j D]i } | d k r¤qŒn  | d k sÂt | ƒ d k rŒt | | ƒ d  k rõd j | ƒ GHt j ƒ  qõqŒqŒWqWd GHd  S(   Ngffffffð?t	   anonymizes   input.pdb.file_name=s   input.xray_data.file_name=s   wavelength={}s+   phenix.python -m mmtbx.ions.svm.dump_sites t    i    iüÿÿÿs   .pdbs   _fmodel.effs
   _sites.pkli   s   Error: chem_env.{} is not sett   fpt   fppt   HOHs    Error: scatter_env.{} is not sett   OK(   s   fp(   R   t   Truet   formatR   t   joint   raise_if_errorst   ost   removet   patht   splitextR   t   lent   AssertionErrort   Nonet	   __slots__t   getattrt   syst   exitR   (	   t
   wavelengtht   mtz_filet   pdb_filet   argst
   sites_patht   sitest   chem_envt   scatter_envt   name(    (    sK   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/svm/tst_dump_sites.pyt   exercise   s<    %%t   __main__(   t
   __future__R    R   R   t   libtbx.easy_pickleR   t   libtbx.easy_runR   t)   mmtbx.regression.make_fake_anomalous_dataR   t   mmtbx.ions.svmR   R#   t   __name__(    (    (    sK   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/svm/tst_dump_sites.pyt   <module>   s   	+