ó
šxTc        	   @   s4  d  d l  Td  d l m Z e ƒ  Z d Z d Z d Z e j e ƒ e j	 e e d d d d	 ƒ e j
 e ƒ e e ƒ Z e j ƒ  re j ƒ  Z e j e e ƒ Z e j e e ƒ Z e j e e ƒ Z e j e e ƒ Z e j e e ƒ Z e j e e ƒ Z e ƒ  Z e j e j ƒ  ƒ e j  e j! ƒ  ƒ e j" e ƒ e j# e e e e e e e e ƒ e j$ e d
 ƒ e j% e ƒ e j& d ƒ e j' d d ƒ e j( e) ƒ e j* e) ƒ e j
 e ƒ e j+ d ƒ e j, d ƒ e- e ƒ Z e j ƒ  rñd GHd Ge GHd Ge j. ƒ  GHd e j/ ƒ  e j ƒ  f GHd Ge j! ƒ  GHd Ge j0 ƒ  GHe j1 ƒ  Z2 e2 j3 ƒ  Gd GHd d7 GHxn e4 d e2 j3 ƒ  ƒ D]W Z d e2 e j5 e2 e j6 d e2 e j6 d  e2 e j6 d! e2 e j7 e2 e j8 f GHq|We j ƒ  Z e j9 ƒ  Z: e j; ƒ  Z< e j= ƒ  Z> e? d" e j3 ƒ  ƒ Z@ d# Ge@ Gd$ GHd% d8 GHxV e4 d e@ ƒ D]E Z d, e e d e e d  e e d! e: e e< e e> e f GHqBWd- d9 GHxx e) e g D]I ZA d2 GeA GHd3 e jB eA ƒ e jC eA ƒ e jD eA ƒ e jE eA ƒ f GHHq¡Wq0d4 GHe jF ƒ  Gd5 Ge jG ƒ  GHn d4 GHe jF ƒ  Gd5 Ge jG ƒ  GHd6 S(:   iÿÿÿÿ(   t   *(   t   xrays   S-insulin.mtzt   insulint   cukas   F(+)s   SIGF(+)s   F(-)s   SIGF(-)s   S-insulin_hyss.pdbt   Ss   S-insulin.seqg      ð?t   bothg¤p=
×£ø?s   SAD phasings   Data read from: s   Data output to : s'   Spacegroup Name (Hall symbol) = %s (%s)s   Unitcell = s   LogLikelihood = s    refined atomss   %5s %10s %10s %10s %10s %10st   atomt   xt   yt   zt	   occupancys   u-isoi    s&   %5s %10.4f %10.4f %10.4f %10.4f %10.4fi   i   i
   s   First s    reflectionss   %4s %4s %4s %10s %10s %10st   Ht   Kt   Lt   FWTt   PHWTt   FOMs    %4d %4d %4d %10.4f %10.4f %10.4fs    statistics:    %6s %6s %10s %10st   lorest   hiress
   fig. merits	   num reflss   hand:s&                  %6.2f-%6.2f %10.4f %10ds   Job exit status FAILUREs   ERROR :N(   s   atomR   R   R	   s	   occupancys   u-iso(   R   R   R   R   R   R   (   R   R   s
   fig. merits	   num refls(H   t   phasert   cctbxR   t   InputEP_DATt   it   HKLINt   xtalidt   waveidt   setHKLIt   addCRYS_ANOM_LABIt   setMUTEt   Truet	   runEP_DATt   rt   Successt	   getMillert   hklt   getFpost   Fpost
   getSIGFpost   Spost   getPpost   Ppost   getFnegt   Fnegt
   getSIGFnegt   Snegt   getPnegt   Pnegt   InputEP_AUTOt   setSPAC_HALLt   getSpaceGroupHallt   setCELL6t   getUnitCellt   setCRYS_MILLERt   addCRYS_ANOM_DATAt   setATOM_PDBt   setLLGC_COMPt   addLLGC_SCATt   addCOMP_PROT_SEQ_NUMt   setHKLOt   Falset   setXYZOt   setHANDt   setWAVEt
   runEP_AUTOt
   getMtzFilet   getSpaceGroupNamet   getLogLikelihoodt   getAtomsR   t   sizet   ranget   scattering_typet   siteR
   t   u_isot   getFWTt   fwtt   getPHWTt   phwtt   getFOMt   fomt   mint   nreflt   handt   stats_lorest   stats_hirest	   stats_fomt	   stats_numt	   ErrorNamet   ErrorMessage(    (    (    sE   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/phaser/test/insulin_sad.pyt   <module>   s�   
		"	R@	