ó
Ç™xTc           @   sŒ   d  d l  m Z d  d l m Z d  d l m Z d  d l m Z d  d l Z e j	 Z
 d Z d „  Z d „  Z e d	 k rˆ e ƒ  d
 GHn  d S(   iÿÿÿÿ(   t   division(   t   easy_run(   t   approx_equal(   t   density_modificationNsè  density_modification {
  input {
    reflection_data.file_name = %s/data/scale.hkl
    reflection_data.labels = f_nat,s_nat
    experimental_phases.file_name = %s/phasing/ir_phase.hkl
    unit_cell = 64.897,78.323,38.792,90,90,90
    space_group = P212121
  }
  protein_solvent_ratio = 1.31
  density_truncation {
    fraction_min = 0.35
    fraction_max = 1
  }
  solvent_modification {
    method = *flipping flattening
  }
  solvent_adjust = True
  solvent_mask {
    averaging_radius {
      initial = 3.5
      final = 2.5
    }
  }
  solvent_fraction = 0.45
  initial_steps = 10
  shrink_steps = 20
  final_steps = 10
  d_min = 2.5
  grid_resolution_factor = 1/4
  asu_contents {
    n_residues = 96
  }
  anisotropic_correction = True
}
c          C   s‡  t  j j d ƒ }  |  d  k r' d GHd  St  j j |  d ƒ } d d l m } | d d ƒ } | j t	 | | f ƒ | j
 ƒ  | j t j | d d	 ƒ f } x) | D]! } | j d
 ƒ d k  s¡ t ‚ q¡ Wd | } | GHt j d | ƒ j ƒ  } | j d j d ƒ s	t ‚ | j d j d ƒ s%t ‚ t t | j d j ƒ  d ƒ d d ƒ sTt ‚ t t | j d j ƒ  d ƒ d d ƒ sƒt ‚ d  S(   Nt   CCI_STRUCTURE_LIBsG   Skipping exercise_density_modification(): $CCI_STRUCTURE_LIB is not sets   rnase-siÿÿÿÿ(   t   open_tmp_filet   suffixs   .paramst   models   1RGE.pdbt   "i    s$   mmtbx.density_modification "%s" "%s"t   commandiûÿÿÿs   Starting dm/model correlation:iüÿÿÿs   Final dm/model correlation:gáz®Gáâ?g{®Gáz„?gš™™™™™é?(   t   ost   environt   gett   Nonet   patht   joint   libtbx.test_utilsR   t   writet   paramst   closet   namet   opt   findt   AssertionErrorR   t   fully_bufferedt   raise_if_errorst   stdout_linest
   startswithR   t   floatt   split(   t   cci_structure_libt   rnase_s_pathR   t   tmp_filet   argst   argt   cmdt   result(    (    sa   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/density_modification/tst_density_modification.pyt   exercise_density_modification.   s(    

/c           C   s   t  ƒ  d  S(   N(   R%   (    (    (    sa   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/density_modification/tst_density_modification.pyt   runH   s    t   __main__t   OK(   t
   __future__R    t   libtbxR   R   R   t   mmtbx.command_lineR   R
   R   R   R   R%   R&   t   __name__(    (    (    sa   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/density_modification/tst_density_modification.pyt   <module>   s   	%		