ó
:™xTc           @   sS   d  d l  m Z d  d l m Z d  d l m Z d „  Z e d k rO e ƒ  n  d S(   iÿÿÿÿ(   t   division(   t   crystal(   t   adptbxc    
      C   sG  t  j d d d d ƒ }  t  j d |  d	 d
 ƒ } d } d } | j | ƒ } d G| GHt j |  j ƒ  | ƒ } | j | ƒ sƒ d GHn  | j | ƒ } t j	 |  j ƒ  | ƒ } d G| GHt j
 |  j ƒ  | ƒ } t j | ƒ } t j | ƒ sñ d GHn  d GHt j | ƒ } x; t d ƒ D]- }	 d | j |	 ƒ Gd | j ƒ  |	 f GHqWd  S(   Nt	   unit_cellg×£p=
W%@g¸…ëQ¸@iZ   ix   t   space_group_symbols   P 3t   crystal_symmetryt   min_distance_sym_equivg      à?i    gh‘í|?5Î?gÃõ(\�ÂÅ?gR¸…ëQÈ?g
×£p=
·?s   Input Ucif:s7   Warning: ADP tensor is incompatible with site symmetry.s   Averaged Ucif:s$   ADP tensor is not positive definite.s   Eigenvectors and values:i   s     v=(%.5f %.5f %.5f) s   lambda=%.4f(   g×£p=
W%@g×£p=
W%@g¸…ëQ¸@iZ   iZ   ix   (   i    i    gh‘í|?5Î?(   gÃõ(\�ÂÅ?gÃõ(\�ÂÅ?gR¸…ëQÈ?g
×£p=
·?i    i    (   R   t   symmetryt   special_position_settingst   site_symmetryR   t   u_cif_as_u_starR   t   is_compatible_u_start   average_u_start   u_star_as_u_cift   u_star_as_u_cartt   eigenvaluest   is_positive_definitet   eigensystemt   xranget   vectorst   values(
   R   R   t   sitet   u_cifR	   t   u_start   u_cartR   R   t   i(    (    sH   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/examples/analyze_adp.pyt   run   s2    						t   __main__N(   t
   __future__R    t   cctbxR   R   R   t   __name__(    (    (    sH   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/examples/analyze_adp.pyt   <module>   s
   	!