ó
5™xTc           @   s•  d  d l  m Z d  d l m Z i- d d. 6d d/ 6d d0 6d d1 6d d2 6d d3 6d d4 6d d5 6d d6 6d d7 6d d8 6d d9 6d d: 6d d; 6d d< 6d d= 6d d> 6d d? 6d d@ 6d dA 6d dB 6d dC 6d dD 6d dE 6d dF 6d! dG 6d! dH 6d! dI 6d dJ 6d dK 6d dL 6d dM 6d dN 6d dO 6d dP 6d dQ 6d dR 6d dS 6d dT 6d dU 6d dV 6d dW 6d dX 6d dY 6d dZ 6Z d( d) „ Z d* „  Z e d+ k r‘e ƒ  d, GHn  d- S([   iÿÿÿÿ(   t   division(   t   mathg        t   HgÍÌÌÌÌÌü?t   ALt   Fg       @t   ASt   Cg333333û?t   Ogš™™™™™ù?t   Bg      ø?t   BRt   CLgÍÌÌÌÌÌô?gš™™™™™ñ?gffffff@t   HGgffffffö?t   Nt   Pt   Sgffffffþ?t   SEt   COgÍÌÌÌÌÌ @t   CUgš™™™™™@t   FEg      ð?t   MGt   NIt   RUt   Ut   Vt   Wgš™™™™™É?c         C   s0  g  } x#t  t |  ƒ ƒ D]} |  | \ } } } xó t  | d t |  ƒ ƒ D]Ø } |  | \ }	 }
 } |	 | }	 |
 | }
 | | } t j |	 |	 |
 |
 | | ƒ } t j | | | | f t ƒ } | sï t j | | | | f t ƒ } n  | sþ d } n  | | | k rL | j | | f ƒ qL qL Wq W| S(   Ni   g333333û?(   t   ranget   lent   smatht   sqrtt%   expected_bond_lengths_by_element_pairt   gett   Falset   append(   t
   sites_cartt   elementst   slopt   resultt   iit   x1t   y1t   z1t   jjt   x2t   y2t   z2t   ddt   expected_dist(    (    sU   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/eltbx/distance_based_connectivity.pyt   build_edge_list7   s&     


#	c          C   sg   d	 d
 d g }  d d d g } t  |  | ƒ } d | k s? t ‚ d | k sQ t ‚ d | k sc t ‚ d  S(   Ni    g{®Gázø?g{®Gáz@R   R   R   i   i   (   i    i    i    (   i    i    g{®Gázø?(   i    i    g{®Gáz@(   i    i   (   i   i   (   i    i   (   R/   t   AssertionError(   R!   R"   t   tmp(    (    sU   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/eltbx/distance_based_connectivity.pyt   tst_build_edge_listN   s    t   __main__t   OKN(   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R	   R   (   R   R   (   R   R
   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (   R   R   (	   t
   __future__R    t   stdlibR   R   R   R/   R2   t   __name__(    (    (    sU   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/cctbx/eltbx/distance_based_connectivity.pyt   <module>   sh   
	