Ñò
Ð¹iKc        
   @   s*  e  d  j od d k Z d d k l Z l Z l Z l Z l Z l Z l	 Z	 l
 Z
 l Z l Z d d k Z d d k Z d d k Z d d k Z e d „ Z e d „ Z d d e d „ Z e d	 „ Z d d d
 „ Z d „  Z d „  Z e d „ Z d „  Z d d e d „ Z e d „ Z d „  Z n d S(   s   pymol.experimentingiÿÿÿÿN(
   t   _cmdt   lockt   unlockt   Shortcutt   QuietExceptiont   DEFAULT_ERRORt   DEFAULT_SUCCESSt   _raisingt   is_okt   is_errorc      	   C   s|   t  } z> | i | ƒ t i | i t |  ƒ t | ƒ t | ƒ ƒ } Wd  | i | | ƒ X| i | | ƒ o t	 i
 ‚ n | S(   N(   R   R   R    t   get_bond_printt   _CObt   strt   intR   R   t   pymolt   CmdException(   t   objt   max_bondt   max_typet   _selft   r(    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyR
      s    1 c         C   sj   t  } z, | i | ƒ t i | i |  | d ƒ } Wd  | i | | ƒ X| i | | ƒ o t i ‚ n | S(   Ni   (	   R   R   R    t   fitR   R   R   R   R   (   t   at   bR   R   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyt   expfit#   s     t    i    c         C   sx   t  } z: d GH| i | ƒ t i | i t |  ƒ t | ƒ ƒ } Wd | i | | ƒ X| i | | ƒ o t	 i
 ‚ n | S(   sD  
DESCRIPTION

    "spheroid" averages trajectory frames together to create
    an ellipsoid-like approximation of the actual anisotropic
    motion exhibited by the atom over a series of trajectory frames.

USAGE

    spheroid object,average

    average = number of states to average for each resulting spheroid state

    s>   Warning: 'spheroid' is experimental, incomplete, and unstable.N(   R   R   R    t   spheroidR   R   R   R   R   R   R   (   t   objectt   averageR   R   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyR   -   s    ( c         C   sa   t  } z# |  i |  ƒ t i |  i ƒ } Wd |  i | |  ƒ X|  i | |  ƒ o t i ‚ n | S(   sŽ   
DESCRIPTION

    "mem" Dumps current memory state to standard output. This is a
    debugging feature, not an official part of the API.

    N(	   R   R   R    t   memR   R   R   R   R   (   R   R   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyR   F   s     c         C   s¶   d d k  l } |  d j oB t i d ƒ } | d d !} | o t | ƒ o
 | }  q[ q_ n |  d j oF t i |  ƒ }  | i d |  d t	 | ƒ ƒ | i
 d |  d ƒ n d S(	   s¥   
DESCRIPTION

    "check" is unsupported command that may eventually have something
    to do with assigning forcefield parameters to a selection of
    atoms.
    
iÿÿÿÿ(   t   realtimet   objectsi    i   t   (t   )N(   t   chempy.tinkerR   t   Nonet   cmdt	   get_namest   lent   selectort   processt   assignR   t   setup(   t	   selectiont   preserveR   t   arg(    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyt   checkX   s    c          G   s'  d d k  l } d } d } d } t |  ƒ } | p, t i d ƒ }  |  d d !}  t |  ƒ } n | o» d	 |  d d
 } | d j o t |  d ƒ } n | d j o t |  d ƒ } n | d j o t |  d ƒ } n t i d | i	 d | | | |  d f ƒ } | i
 d ƒ | i ƒ  n d S(   s¸   
DESCRIPTION

    "fast_minimize" is an unsupported nonfunctional command that may
    eventually have something to do with doing a quick clean up of the
    molecular structure.
    
iÿÿÿÿ(   R   g{®Gáz„?iô  i2   R   i    i   R    R!   i   i   t   targett   argsN(   R"   R   R&   R$   R%   R   t   floatt	   threadingt   Threadt   minit	   setDaemont   start(   R-   R   t   gradt   itert   intervalt   lat   selet   t(    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyt   fast_minimizeo   s(    	+c          G   s@  d d k  l } d } d } d } t |  ƒ } | p, t i d ƒ }  |  d d !}  t |  ƒ } n | oÔ d	 |  d d
 } | d j o t |  d ƒ } n | d j o t |  d ƒ } n | d j o t |  d ƒ } n | i | ƒ oF t i	 d | i
 d | | | |  d f ƒ } | i d ƒ | i ƒ  q<d GHn d S(   s   
DESCRIPTION

    "fast_minimize" is an unsupported nonfunctional command that may
    eventually have something to do with minimization.
    
iÿÿÿÿ(   R   g{®Gáz„?iô  i2   R   i    i   R    R!   i   i   R/   R0   s-    minimize: missing parameters, can't continueN(   R"   R   R&   R$   R%   R   R1   R*   R2   R3   R4   R5   R6   (   R-   R   R7   R8   R9   R:   R;   R<   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyt   minimize   s,    +c         C   sm   t  } z/ | i | ƒ t i | i t |  ƒ | ƒ } Wd | i | | ƒ X| i | | ƒ o t i	 ‚ n | S(   s›   
DESCRIPTION

    "dump" is an unsupported command which may have something to do
    with outputing isosurface meshes and surface objects to a file.

    N(
   R   R   R    t   dumpR   R   R   R   R   R   (   t   fnamR   R   R   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyR?   ®   s    " c          G   s   d  S(   N(   R#   (   R-   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyt   dummyÀ   s    c         C   ss   t  } z5 | i | ƒ t i | i t |  ƒ t | ƒ ƒ } Wd | i | | ƒ X| i | | ƒ o t i	 ‚ n | S(   sB   
DESCRIPTION

    "dump" is an unsupported internal command.

    N(
   R   R   R    t   testR   R   R   R   R   R   (   t   groupt   indexR   R   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyRB   Ã   s    ( c         C   sz   t  } z< | i | ƒ t i | i t | ƒ t | ƒ d |  ƒ } Wd  | i | | ƒ X| i | | ƒ o t	 i
 ‚ n | S(   Ni   (   R   R   R    t   import_coordsR   R   R   R   R   R   R   (   t   coordst   namet   stateR   R   (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyRE   Ó   s    / c       
   G   s*  t  } t } zæ | i | ƒ d } t i } d } |  d } t |  ƒ d j  o
 d } n t |  ƒ d j o t i |  d ƒ } n t |  ƒ d j o t |  d ƒ d } n | o8 t	 i
 | i t | ƒ | t | ƒ d t | ƒ ƒ } n d GHWd  | i | | ƒ X| i | | ƒ o t i ‚ n | S(   Ni   i    i   i   s   Error: invalid arguments.(   R$   R   R   t   loadablet   modelR&   t   stringt   stripR   R    t   load_coordsR   R   R   R   R   R   (   R-   R   R   t   okt   ftypeRH   RJ   t   oname(    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyRM   Ý   s,    	

 	 (   t   __name__R'   R$   R    R   R   R   R   R   R   R   R   R	   R2   R   RK   R
   R   R   R   R#   R.   R=   R>   R?   RA   RB   RE   RM   (    (    (    sC   P:\graphics\Tools\Python26\lib\site-packages\pymol\experimenting.pyt   <module>   s$   F

		!	
