ó
>™xTc           @   s¥   d  d l  m 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  d l m Z d  d l Z d „  Z e d	 k r¡ e e j d
 ƒ n  d S(   iÿÿÿÿ(   t   divisionN(   t   maptbx(   t   flex(   t   fftpack(   t   matrix(   t   time_logc   	      C   sÐ  t  |  ƒ d k s t ‚ t d ƒ j ƒ  } t j j d |  d ƒ } d G| j ƒ  j ƒ  GH| j	 ƒ  GH| j
 ƒ  } | d  k	 s� t ‚ | j ƒ  | j ƒ  d  k	 s£ t ‚ | j ƒ  d  k	 s» t ‚ | j ƒ  j ƒ  } t j | j ƒ  d ƒ } t j d | j ƒ  d d	 d
 d ƒ } t j | j ƒ  ƒ } d G| j ƒ  GHd G| j ƒ  GHt d ƒ j ƒ  } t j d | j ƒ  d | j ƒ  d | j ƒ  d | d | ƒ } d G| j ƒ  GH| j	 ƒ  GHd G| j ƒ  t j | j ƒ  ƒ j ƒ  GHd  S(   Ni   s	   pdb.inputt	   file_namei    s   number of pdb atoms:g      @t	   unit_cellt   d_mini   t   resolution_factori   s   n_real:s   m_real:t   grid_indices_around_sitest
   fft_n_realt
   fft_m_realt
   sites_cartt
   site_radiis   grid_indices.size():s   grid fraction:gUUUUUUÕ?(   t   lent   AssertionErrorR   t   startt   iotbxt   pdbt   inputt   atomst   sizet   logt   crystal_symmetryt   Nonet   show_summaryR   t   space_group_infot   extract_xyzR   t   doubleR   t   crystal_griddingR   t   real_to_complex_3dt   n_realt   m_realR
   R   t   colt   product(	   t   argst   timert   pdb_inpR   R   R   R   t   fftt   grid_indices(    (    sf   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/maptbx/boost_python/time_grid_indices_around_sites.pyt   run
   s<    
				t   __main__i   (   t
   __future__R    t	   iotbx.pdbR   t   cctbxR   t   cctbx.array_familyR   t   scitbxR   R   t   libtbx.utilsR   t   sysR)   t   __name__t   argv(    (    (    sf   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/maptbx/boost_python/time_grid_indices_around_sites.pyt   <module>   s   	 