ó
a#nSc           @   sf   d  d l  m Z d  d l Z d  d l Z d  d l Z d  d l m Z d d d d d „ Z d „  Z	 d S(	   iÿÿÿÿ(   t   RDConfigN(   t   ImageiÈ   i    c         C   sÓ  t  |  t ƒ r$ |  g }  | g } n  | d  k rN t j j d d d d ƒ } n  | } t |  ƒ t | ƒ k sr t ‚ | d } | d } d }	 d }
 x_ |
 t |  ƒ k  ró |  |
 } | |
 } | sÕ |	 d t ƒ  7}	 n |	 d	 t ƒ  7}	 |
 d 7}
 q• W|	 rÏt	 j
 d
 ƒ } t | d ƒ j |	 d ƒ y! d | | f } t j | ƒ Wn7 d d  l } | j ƒ  t j j d | ƒ d } n4 Xd } x* | D]" } t j j | ƒ s‹d } Pq‹q‹Wy t j | ƒ WqÏqÏXn  | S(   Ns   /usrt   localt   bint   cstsi    i   t    s‡   ens get [ens create {%(smi)s}] E_GIF {} {width %(width)d height %(height)d bgcolor white filename %(name)s format gif frame %(frame)d};s·   ens get [ens create {%(smi)s}] E_GIF {} {width %(width)d height %(height)d bgcolor white filename %(name)s format gif symbolfontsize 24 frame %(frame)d linewidth 2.8 linespacing 4.0};s   .cmds   w+s   
s   %s < %siÿÿÿÿs   CMD: %s
(   t
   isinstancet
   basestringt   Nonet   ost   patht   joint   lent   AssertionErrort   localst   tempfilet   mktempt   opent   writet   systemt	   tracebackt	   print_exct   syst   stderrt   existst   unlink(   t   smilest	   fileNamest   sizet   cmdt   dblSizet   framet   baseCmdt   widtht   heightt   argst   nDonet   smit   namet   fNR   t   res(    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/rdkit/utils/cactvs.pyt   SmilesToGif	   sN    	





c         K   sP   t  j d ƒ } t |  | | � } | rF t j | ƒ } t j | ƒ n d  } | S(   Ns   .gif(   R   R   R)   R   R   R	   R   R   (   R   t   kwargst   tempFilenamet   okt   img(    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/rdkit/utils/cactvs.pyt   SmilesToImage5   s    (   iÈ   iÈ   (
   t   rdkitR    R   R	   R   t   PILR   R   R)   R.   (    (    (    sT   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/rdkit/utils/cactvs.pyt   <module>   s   $,