from phaser import *
i = InputMR_DAT()
HKLIn = "beta_blip.mtz"
F = "Fobs"
SIGF = "Sigma"
i.setHKLI(HKLIn)
i.setLABI(F,SIGF)
r = runMR_DAT(i)
print r.logfile()
i = InputANO()
i.setSPAC_HALL(r.getSpaceGroupHall())
i.setCELL6(r.getUnitCell())
i.setREFL(r.getMiller(),r.getFobs(),r.getSigFobs())
i.setREFL_ID(F,SIGF)
i.setHKLI(HKLIn)
i.setROOT("beta_blip_ano")
del(r)
r = runANO(i)
print r.summary()
print "Anisotropy Correction"
print "Data read from: " , HKLIn
print "Data output to : " , r.getMtzFile()
print "Spacegroup Name (Hall symbol) = %s (%s)" % \
  (r.getSpaceGroupName(), r.getSpaceGroupHall())
print "Unitcell = " , r.getUnitCell()
print "Principal components = " , r.getEigenBs()
print "Range of principal components = " , r.getAnisoDeltaB()
print "Wilson Scale and B-factor = " , r.getWilsonK(), r.getWilsonB()
hkl = r.getMiller();
f = r.getF()
sigf = r.getSIGF()
f_iso = r.getCorrectedF()
sigf_iso = r.getCorrectedSIGF()
corr = r.getCorrection()
nrefl = min(10,hkl.size())
print "First ", nrefl , " reflections"
print "%4s %4s %4s %10s %10s %10s %10s %10s" % \
  ("H","K","L",F,SIGF,r.getLaboutF(),r.getLaboutSIGF(),"Corr\'n")
for i in range(0,nrefl):
  print "%4d %4d %4d %10.4f %10.4f %10.4f %10.4f %10.4f" % \
    (hkl[i][0],hkl[i][1],hkl[i][2],f[i],sigf[i],f_iso[i],sigf_iso[i],corr[i])