ó
šxTc        
   @   s  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  rë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 j e e ƒ Z e j e e ƒ Z  e! ƒ  Z e j" e j# ƒ  ƒ e j$ e j% ƒ  ƒ e j& e e e  ƒ e j' d
 d ƒ e j( d ƒ e j
 e ƒ [ e) e ƒ Z e j ƒ  rÊd GHd Ge GHd Ge j* ƒ  GHd e j+ ƒ  e j# ƒ  f GHd Ge j% ƒ  GHd Ge j, ƒ  GHd Ge j- ƒ  GHd Ge j. ƒ  GHd Ge j/ ƒ  GHe j0 e e ƒ Z e j0 e e ƒ Z e j0 e e ƒ Z e j0 e e ƒ Z e1 ƒ  Z e j" e j# ƒ  ƒ e j2 e j% ƒ  ƒ e j3 e ƒ e j4 e e e e e e e e ƒ e j5 e d ƒ e j6 e e ƒ e j7 e d ƒ e j8 e ƒ e j9 e: ƒ e j; e: ƒ e j
 e ƒ e j( d ƒ [ e< e ƒ Z e j ƒ  r©d GHd Ge GHd Ge j* ƒ  GHd e j+ ƒ  e j# ƒ  f GHd Ge j% ƒ  GHd Ge j= ƒ  GHe j> e ƒ Z? e? j@ ƒ  Gd GHd d= GHxn eA d# e? j@ ƒ  ƒ D]W Z d$ e? e jB e? e jC d# e? e jC d% e? e jC d& e? e jD e? e jE f GHqîWe j ƒ  Z e jF ƒ  ZG e jH ƒ  ZI e jJ ƒ  ZK e jL ƒ  ZM eN d' e j@ ƒ  ƒ ZO d( GeO Gd) GHd* d> GHx] eA d# eO ƒ D]L Z d2 e e d# e e d% e e d& eG e eI e eK e eM e f GHqÀWd3 d? GHx] eA d# e jP ƒ  ƒ D]F Z d8 e d% e jQ e ƒ e jR e ƒ e jS e ƒ e jT e ƒ f GHq/Wd9 e jU ƒ  e jV ƒ  e jW ƒ  e jX ƒ  f GHqèd: GHe jY ƒ  Gd; Ge jZ ƒ  GHq	d: GHe jY ƒ  Gd; Ge jZ ƒ  GHn d: GHe jY ƒ  Gd; Ge jZ ƒ  GHd< S(@   iÿÿÿÿ(   t   *(   t   xrays   S-insulin.mtzt   insulint   sads   F(+)s   SIGF(+)s   F(-)s   SIGF(-)s   S-insulin.seqg      ð?t   insulin_anos   Anisotropy Corrections   Data read from: s   Data output to : s'   Spacegroup Name (Hall symbol) = %s (%s)s   Unitcell = s   Principal components = s    Range of principal components = s   Wilson Scale = s   Wilson B-factor = s   S-insulin_hyss.pdbt   St   insulin_sad_splits   SAD phasings   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 %10s %10st   Ht   Kt   Lt   FWTt   PHWTt   PHIBt   FOMs'   %4d %4d %4d %10.4f %10.4f %10.4f %10.4fs    statistics:    %6s %6s %10s %10st   lorest   hiress
   fig. merits	   num reflss&   by bin:     %d %6.2f-%6.2f %10.4f %10ds%   total         %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   R   s
   fig. merits	   num refls([   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   getFt   Fmeant   getSIGFt   Smeant   InputANOt   setSPAC_HALLt   getSpaceGroupHallt   setCELLt   getUnitCellt   setREFLt   addCOMP_PROT_FASTA_NUMt   setROOTt   runANOt
   getMtzFilet   getSpaceGroupNamet
   getEigenBst   getAnisoDeltaBt
   getWilsonKt
   getWilsonBt   getScaledCorrectedt   InputEP_SADt   setCELL6t   setCRYS_MILLERt   addCRYS_ANOM_DATAt   setATOM_PDBt   setLLGC_CRYS_COMPLETEt   addLLGC_CRYS_SCAT_ELEMENTt   setHKLOt   setSCRIt   Falset   setXYZOt	   runEP_SADt   getLogLikelihoodt   getAtomsR   t   sizet   ranget   scattering_typet   siteR   t   u_isot   getFWTt   fwtt   getPHWTt   phwtt   getPHIBt   phibt   getFOMt   fomt   mint   nreflt   stats_numbinst   stats_by_bin_lorest   stats_by_bin_hirest   stats_by_bin_fomt   stats_by_bin_numt   stats_lorest   stats_hirest	   stats_fomt	   stats_numt	   ErrorNamet   ErrorMessage(    (    (    sK   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/phaser/test/insulin_sad_split.pyt   <module>   sÄ   
				"	RGA-