ó
Ê™xTc           @   sÉ   d  d l  m Z d  d l Z d  d l m Z m Z d  d l m Z d  d l Z d  d l	 m
 Z
 d  d l Z d  d l m Z d  d l m Z d  d l m Z d  d l Z d	 „  Z e d
 k rÅ e ƒ  n  d S(   iÿÿÿÿ(   t   divisionN(   t   loadst   dumps(   t
   MethodType(   t   master_phil(   t   ions(   t   environment(   t   generate_zinc_inputsc          C   sß  d }  t  d t ƒ \ } } t j j ƒ  } t j j d | | d j |  ƒ d g d t	 ƒ  d | d t
 d	 t
 d
 t
 ƒ } t j | ƒ t j | ƒ | j j d | j j j d d ƒ | j j | j d t
 ƒt j j d | j d | j d | j d | j j j d | j d | j j d | ƒ } | j d | ƒ | j d ƒ } | j d ƒ } x�| j j ƒ  D]p} t j | j  | j! | j  d d ƒ| ƒ }	 t" t# |	 ƒ ƒ }
 x— t$ |	 ƒ D]‰ } | d k rä|	 j% j& ƒ  |
 j% j& ƒ  k s4t' ‚ q«| j( d ƒ r«t) t* |	 | ƒ t+ ƒ r«t* |	 | ƒ t* |
 | ƒ k s4t' ‚ q«q«Wt j, | j  | | | ƒ } t" t# | ƒ ƒ } xd t$ | ƒ D]V } | j( d ƒ rrt) t* | | ƒ t+ ƒ rrt* | | ƒ t* | | ƒ k sÈt' ‚ qrqrWq\W~ ~ d GHd  S(   Ngffffffð?t	   anonymizet   argss   wavelength={}s   use_phaser=FalseR   t   outt   process_pdb_filet   create_fmodelt   prefer_anomaloust   photont   tablet   sasakit   update_f_calct   pdb_hierarchyt   fmodelt   geometry_restraints_managert
   wavelengtht   paramst   nproct   logt   mFos   mFo-DFct   far_distance_cutoffg      @t   atomt   _t   OK(-   R   t   Falset   libtbxt   utilst   null_outt   mmtbxt   command_linet   load_model_and_datat   formatR   t   Truet   ost   removet   xray_structuret   set_inelastic_form_factorsR   t   inputR   R   t   update_xray_structureR   t   identifyt   create_managerR   t   geometryR   t   validate_ionst   get_mapt   atoms_to_propst   valuesR   t   ChemicalEnvironmentt   i_seqt   find_nearby_atomsR   R   t   dirR   t   id_strt   AssertionErrort
   startswitht
   isinstancet   getattrR   t   ScatteringEnvironment(   R   t   mtz_filet   pdb_fileR!   t   cmdlinet   managert   fo_mapt   fofc_mapt
   atom_propst   chem_envt   new_chem_envt   attrt   scatter_envt   new_scatter_env(    (    sC   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/tst_pickle.pyt   exercise   sj    												'+/t   __main__(   t
   __future__R    R'   t   pickleR   R   t   typesR   R   t   mmtbx.command_line.water_screenR   t   mmtbx.command_lineR"   R   t
   mmtbx.ionsR   t)   mmtbx.regression.make_fake_anomalous_dataR   t   mmtbx.utilsRJ   t   __name__(    (    (    sC   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/tst_pickle.pyt   <module>   s   	K