ó
€™xTc           @   s/   d  d l  m Z e d „ Z d d d „ Z d S(   iÿÿÿÿ(   t   divisionc         C   s  | j  ƒ  } i d d 6d d 6d d 6d d 6d	 d
 6d d 6d d 6} y | | } Wn t k
 rm t d ‚ n X| j ƒ  r� | j ƒ  s¤ t d d d ‚ q¤ n | } |  d I| IJxQ t d | j ƒ  ƒ D]: } |  d I| | ƒ j d | d t d d d d ƒ IJqÊ Wd  S(   Ni   t   Pi   t   Ii   t   Ri   t   Fi   t   Ai   t   Bi   t   Cs+   Error: Lattice type not supported by SHELX.s   Error: s7    SHELX manual: If the structure is centrosymmetric, thes)    origin MUST lie on a center of symmetry.t   LATTt   SYMMt   decimalt   t_firstt   symbol_letterst   XYZt	   separatort   ,(	   t!   conventional_centring_type_symbolt	   Exceptiont   RuntimeErrort
   is_centrict   is_origin_centrict   xranget   n_smxt   as_xyzt   False(   t   st   space_groupR
   t   Zt   Z_dictt   LATT_Nt   i(    (    sC   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/shelx/write_ins.pyt	   LATT_SYMM   s2    
g      Àc         C   s	  |  d I| IJ|  d | j  ƒ  j ƒ  IJt |  | j ƒ  ƒ |  d I| IJ|  d I| d IJ|  d | IJ|  d | IJ|  d IJ|  d	 I| IJ|  d
 I| I| d  k	 rÀ |  | In  |  J| d k rç |  d IJ|  d IJn  |  d IJ|  d IJ|  d IJd  S(   Nt   TITLs&   CELL 1.0 %.6g %.6g %.6g %.6g %.6g %.6gt   SFACt   UNITi   s   SHEL 999 %.2fs   PSMF  pres -%.2fs(   PATS  np  100   npt     99999   nf     5t   FINDt   MINDi
   s   WEED 0.3s   SKIP 0.5s   NTRY 100s   HKLF 3t   END(   t	   unit_cellt
   parametersR   R   t   None(   R   t   titlet   crystal_symmetryt   n_sitest   scattering_typet   d_mint	   mind_mdist	   mind_mdeq(    (    sC   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/shelx/write_ins.pyt   shelxd"   s(    



N(   t
   __future__R    R   R   R(   R0   (    (    (    sC   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/shelx/write_ins.pyt   <module>   s   &