ó
±™xTc           @   sx   d  d l  m Z d  d l m Z d  d l m Z d  d l Z d „  Z e j d „ Z	 e
 d k rt e	 e j d ƒ n  d S(	   iÿÿÿÿ(   t   division(   t   make_header(   t   AutoNc       	   C   s/   d d l  m }  |  d t d t d t d d ƒ S(   Niÿÿÿÿ(   t    generate_master_phil_with_inputst   enable_automatic_twin_detectiont    enable_pdb_interpretation_paramst   enable_stop_for_unknownst   phil_stringsj   
include scope mmtbx.ions.identify.ion_master_phil
debug = True
  .type = bool
nproc = Auto
  .type = int
(   t   mmtbx.command_lineR   t   Truet   False(   R   (    (    sN   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/command_line/validate_ions.pyt   master_phil   s    c         C   s  d } d d  l  } d d  l } | j j d |  d t ƒ  d | d t d t d t d	 d
 d t ƒ } | j } | j } | j } | j	 } | j
 }	 t d d | ƒ| j j j d | d | d |	 d | j j d | d | j d | j d | ƒ }
 |
 j d | ƒ |
 j d | d | j ƒ S(   Ns¼   mmtbx.validate_ions model.pdb data.mtz [options ...]

Utility to validate ions that have been built into a model, based on local
environment, electron density maps, and atomic properties.
iÿÿÿÿt   argsR   t   outt   process_pdb_filet   create_fmodelt    set_wavelength_from_model_headert   set_inelastic_form_factorst   sasakit   prefer_anomalouss   Inspecting ionst   pdb_hierarchyt   fmodelt   geometry_restraints_managert
   wavelengtht   paramst   verboset   nproct   logt   debug(   t   mmtbx.ions.identifyR   t   command_linet   load_model_and_dataR   R	   R   t   xray_structureR   R   t   geometryR   t   ionst   identifyt   create_managert   inputR   R   R   t"   show_current_scattering_statisticst   validate_ions(   R   R   t   usage_stringt   mmtbxt   cmdlineR   R    R   R   R!   t   manager(    (    sN   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/command_line/validate_ions.pyt   run   s:    										t   __main__i   (   t
   __future__R    t   libtbx.str_utilsR   t   libtbxR   t   sysR   t   stdoutR,   t   __name__t   argv(    (    (    sN   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/command_line/validate_ions.pyt   <module>   s   	$