ó
Ã™xTc           @   sp   d  d l  m Z d  d l Z d  d l Z e j j d ƒ Z d  d l	 Td „  Z
 d „  Z d e f d „  ƒ  YZ d S(	   iÿÿÿÿ(   t   divisionNt   mmtbx_dynamics_ext(   t   *c         C   s    d d l  m } | d | |  S(   Niÿÿÿÿ(   t   boltzmann_constant_akmag      à?(   t   mmtbx.dynamics.constantsR   (   t   doft   et   k(    (    sE   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/dynamics/__init__.pyt   kinetic_energy_as_temperature   s    c         C   s    d d l  m } | d | |  S(   Niÿÿÿÿ(   R   g      à?(   R   R   (   R   t   tR   (    (    sE   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/dynamics/__init__.pyt   temperature_as_kinetic_energy   s    t   kinetic_energy_and_temperaturec           B   s   e  Z d  „  Z RS(   c         C   s_   t  d | d | ƒ |  _  d | j ƒ  } | d k r@ d |  _ n t d | d |  j  ƒ |  _ d  S(   Nt
   velocitiest   massesi   i    R   R   (   t   kinetic_energyt   sizet   temperatureR   (   t   OR   R   R   (    (    sE   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/dynamics/__init__.pyt   __init__   s    (   t   __name__t
   __module__R   (    (    (    sE   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/dynamics/__init__.pyR      s   (   t
   __future__R    t   cctbx.array_family.flext   cctbxt   boost.pythont   boostt   pythont
   import_extt   extR   R   R
   t   objectR   (    (    (    sE   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/dynamics/__init__.pyt   <module>   s   
		