from phaser import *

i = InputEP_DAT()
i.setHKLI("acendna90.mtz")
i.addCRYS_ANOM_LABI("dna","sad","F(+)","SIGF(+)","F(-)","SIGF(-)")
o = Output()
r = runEP_DAT(i,o)
print r.logfile()
i = InputEP_SAD()
o = Output()
i.setSPAC_HALL(r.getSpaceGroupHall())
i.setCELL6(r.getUnitCell())
i.setCRYS_MILLER(r.getMiller())
i.addCRYS_ANOM_DATA("dna","sad",
                    r.getFpos("dna","sad"),r.getSIGFpos("dna","sad"),r.getPpos("dna","sad"),
                    r.getFneg("dna","sad"),r.getSIGFneg("dna","sad"),r.getPneg("dna","sad"))
i.addATOM("dna","P",1.050,0.407,0.404,1.00,10.)
i.addATOM("dna","P",1.039,0.338,0.540,1.00,10.)
i.addATOM("dna","P",0.736,0.302,0.587,1.00,10.)
i.addATOM("dna","P",0.740,0.237,0.742,1.00,10.)
i.addATOM("dna","P",0.456,0.366,0.744,1.00,10.)
i.addATOM("dna","P",0.862,0.699,0.845,1.00,10.)
i.addATOM("dna","P",0.750,0.727,0.713,1.00,10.)
i.addATOM("dna","P",0.479,0.627,0.673,1.00,10.)
i.addATOM("dna","P",0.372,0.614,0.537,1.00,10.)
i.addATOM("dna","P",0.390,0.442,0.495,1.00,10.)
i.addNUCL_SEQ("CGCGCGCGCGCG",1.)
i.setCRYS_LLGC_ATOMTYPE("dna","P")
i.setROOT("sad")
r = runEP_SAD(i,o)
print r.logfile()