ó
s™xTc           @   si   d  d l  m Z d  d l m Z d  d l m Z d  d l Z d „  Z e d k re e e j	 d ƒ n  d S(   iÿÿÿÿ(   t   division(   t	   tst_tardy(   t   flexNc            sá  t  |  ƒ d k r' d } d } d } n` t  |  ƒ d k sE t d ƒ ‚ t t |  d ƒ ƒ } t t |  d ƒ ƒ } t t |  d ƒ ƒ } t j d | ƒ } | j d	 d ƒ t j	 | j
 ƒ  g ƒ ‰ t j	 | j ƒ  g ƒ ‰  ‡  ‡ f d
 †  } xl t | ƒ D]^ } | j d | ƒ ˆ j | j
 ƒ  ƒ ˆ  j | j ƒ  ƒ | d d k rø d G| G| ƒ  qø qø Wd G| G| ƒ  ˆ ˆ  } t d | | | f d ƒ } x< ˆ ˆ  | g D]+ }	 x |	 D] }
 | |
 IJq¬W| d IJqŸW| j ƒ  d GHd  S(   Ni    i   id   g{®Gáz„?i   s&   model_index, n_dynamics_steps, delta_ti   t   it   e_kin_targetc              s&   d ˆ d ˆ  d GHt  j j ƒ  d  S(   Ns   e_tot: %.6giÿÿÿÿ(   t   syst   stdoutt   flush(    (   t   e_kinst   e_pots(    sX   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/scitbx/rigid_body/essence/tst_energy_plots.pyt
   show_e_tot   s    t   delta_tiè  s   i_step:s#   e_pot_kin_tot_i=%02d_n=%d_d=%.5f.xyt   wt   &t   OK(   t   lent   AssertionErrort   intt   evalt   floatR   t   get_test_model_by_indext   assign_random_velocitiesR   t   doublet   e_pott   e_kint   xranget   dynamics_stept   appendt   opent   close(   t   argst   model_indext   n_dynamics_stepsR   t   tardy_modelR
   t   i_stept   e_totst   ft   est   e(    (   R   R	   sX   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/scitbx/rigid_body/essence/tst_energy_plots.pyt   run   s>    	

t   __main__i   (
   t
   __future__R    t   scitbx.rigid_body.essenceR   t   scitbx.array_familyR   R   R'   t   __name__t   argv(    (    (    sX   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/scitbx/rigid_body/essence/tst_energy_plots.pyt   <module>   s   	$