res = getCorrectedScatter(sqe,C_ms,N,Tol,maxIter,interactive,vd=viewDirectory)
sqeCalc,dosCalc,cmsCalc,res,C_ms,lsqSc,lsqMu,lsqSl,LSQ \
= getBestSol(sqe0,res,C_ms)
dosCalc.plotDOS(viewDirectory)
#--- Output to file and pickle ------------------------------------------------
cp.dump((sqe0,C_ms,res,lsqSc,lsqMu,lsqSl,LSQ),\
open( os.path.join( outputDir,"all.pkl") ,'wb'),-1)
cp.dump((sqe0,sqeCalc,dosCalc,cmsCalc),\
open( os.path.join( outputDir,"sol.pkl") ,'wb'),-1)
f = open( os.path.join( outputDir,"C_ms" ),'w')
f.write( "C_ms = %lf\n" % (C_ms[numpy.argmin( numpy.array(LSQ)**2 )]-1.0) )
f.close()
io.write(dosCalc.e,dosCalc.g, os.path.join( outputDir,"Dos" ) )
io.write(dosCalc.e,dosCalc.gz, os.path.join( outputDir,"Dos.z" ) )
io.write(sqe0.e,sqe0.se, os.path.join( outputDir,"Se.exp" ) )
io.write(sqe0.e,nar(nar(sqeCalc)), os.path.join( outputDir,"Se.clc" ) )
io.write(sqe0.e,nar(nar(sqeCalc[1:])),os.path.join( outputDir,"Multi.clc") )
io.write(sqe0.e,nar(nar(sqeCalc[1:]))/(cmsCalc),\
os.path.join( outputDir,"Mph.clc" ) )
io.write(sqe0.e,(cmsCalc-1.0)*nar(nar(sqeCalc[1:]))/cmsCalc\
,os.path.join( outputDir,"Msc.clc" ) )
#--- `Interactive` Output -----------------------------------------------------
SQE = expSqe(sqe0.q,sqe0.e,nar(sqeCalc),sqe0.sqerr,sqe0.T,sqe0.M,cutRange=cutRange)
plotComp(sqe0,sqeCalc,viewDirectory)
plotLSQ(C_ms,lsqSc,lsqMu,lsqSl,LSQ,viewDirectory)
plotSQE(SQE,viewDirectory,'sqeCalc.png',title='S(Q,E) Calculated',\
ANE = multiphonon.AthroughN(sqe,dos,N)
SNQ = multiphonon.SthroughN(sqe,dos,N)
SN = []
for i in range(len(SNQ)):
SN.append( numpy.outer(SNQ[i],ANE[i]) )
SN = numpy.array(SN)
S = nar(SN)
#------------------------------------------------------------------------------
#---- Write to file -----------------------------------------------------------
cp.dump((Q,E,S,S),open("tmp/sqe.pkl",'w'))
sum = 0
for i in range(len(ANE)):
io.write(E,ANE[i],"tmp/ane."+str(i+1))
io.write(E,nar(SN[i]),"tmp/se."+str(i+1))
io.write(E, nar(S),"tmp/se.in")
#------------------------------------------------------------------------------
#---- Plot --------------------------------------------------------------------
for i in range(len(ANE)):
G.replot(Gd(E,nar(SN[i]),with='l lw 5'))
raw_input("Press <Enter> to continue...")
#------------------------------------------------------------------------------
#==============================================================================
# --- Notes ---
#------------------------------------------------------------------------------
