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Refs #5172 - Final clean up of IndirectBayes.py from Spencer.
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@PeterParker
PeterParker committed May 2, 2012
1 parent 2ab1252 commit f9a63b9
Showing 1 changed file with 46 additions and 77 deletions.
123 changes: 46 additions & 77 deletions Code/Mantid/scripts/Inelastic/IndirectBayes.py
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Original file line number Diff line number Diff line change
Expand Up @@ -39,19 +39,6 @@ def PadXYE(Xin,Yin,Ein,array_len):
E=PadArray(Ein,array_len)
return X,Y,E

def Array2List(n,Array):
List = []
for m in range(0,n):
List.append(Array[m])
return List

def Array2Fit(n,Array,nf):
List = []
for m in range(0,n):
off = (nf-1)*n
List.append(Array[m+off])
return List

def CalcErange(inWS,ns,er,nbin):
rscl = 1.0
array_len = 4096 # length of array in Fortran
Expand Down Expand Up @@ -225,35 +212,32 @@ def QLStart(program,ana,samWS,resWS,rtype,rsname,erange,nbins,fitOp,wfile,Verbos
message = ' Log(prob) : '+str(yprob[0])+' '+str(yprob[1])
if Verbose:
logger.notice(message)
dataX = Array2List(nd,xout)
dataX.append(2*dataX[nd-1]-dataX[nd-2])
dataY = Array2List(nd,yout)
dataE = Array2List(nd,eout)
dataF0 = Array2Fit(nd,yfit,1)
dataF1 = Array2Fit(nd,yfit,2)
dataX = xout[:nd]
dataX = numpy.append(dataX,2*xout[nd-1]-xout[nd-2])
yfit_list = numpy.split(yfit[:4*nd],4)
dataF0 = yfit_list[0]
dataF1 = yfit_list[1]
if program == 'QL':
dataF2 = Array2Fit(nd,yfit,3)
dataF3 = Array2Fit(nd,yfit,4)
dataG = []
for n in range(0,nd):
dataG.append(0.0)
dataF2 = yfit_list[2]
dataF3 = yfit_list[3]
dataG = numpy.zeros(nd)
if m == 0:
CreateWorkspace(OutputWorkspace=fname+'_Data', DataX=dataX, DataY=dataY, DataE=dataE,
CreateWorkspace(OutputWorkspace=fname+'_Data', DataX=dataX, DataY=yout[:nd], DataE=eout[:nd],
Nspec=1, UnitX='DeltaE')
CreateWorkspace(OutputWorkspace=fname+'_Fit1', DataX=dataX, DataY=dataF1, DataE=dataG,
CreateWorkspace(OutputWorkspace=fname+'_Fit1', DataX=dataX, DataY=dataF1[:nd], DataE=dataG,
Nspec=1, UnitX='DeltaE')
if program == 'QL':
CreateWorkspace(OutputWorkspace=fname+'_Fit2', DataX=dataX, DataY=dataF2, DataE=dataG,
CreateWorkspace(OutputWorkspace=fname+'_Fit2', DataX=dataX, DataY=dataF2[:nd], DataE=dataG,
Nspec=1, UnitX='DeltaE')
else:
CreateWorkspace(OutputWorkspace='__datmp', DataX=dataX, DataY=dataY, DataE=dataE,
CreateWorkspace(OutputWorkspace='__datmp', DataX=dataX, DataY=yout[:nd], DataE=eout[:nd],
Nspec=1, UnitX='DeltaE')
ConjoinWorkspaces(InputWorkspace1=fname+'_Data', InputWorkspace2='__datmp',CheckOverlapping=False)
CreateWorkspace(OutputWorkspace='__f1tmp', DataX=dataX, DataY=dataF1, DataE=dataG,
CreateWorkspace(OutputWorkspace='__f1tmp', DataX=dataX, DataY=dataF1[:nd], DataE=dataG,
Nspec=1, UnitX='DeltaE')
ConjoinWorkspaces(InputWorkspace1=fname+'_Fit1', InputWorkspace2='__f1tmp',CheckOverlapping=False)
if program == 'QL':
CreateWorkspace(OutputWorkspace='__f2tmp', DataX=dataX, DataY=dataF2, DataE=dataG,
CreateWorkspace(OutputWorkspace='__f2tmp', DataX=dataX, DataY=dataF2[:nd], DataE=dataG,
Nspec=1, UnitX='DeltaE')
ConjoinWorkspaces(InputWorkspace1=fname+'_Fit2', InputWorkspace2='__f2tmp',CheckOverlapping=False)
Minus(LHSWorkspace=fname+'_Fit1', RHSWorkspace=fname+'_Data', OutputWorkspace=fname+'_Res1')
Expand Down Expand Up @@ -594,15 +578,9 @@ def QuestStart(ana,samWS,resWS,nbs,erange,nbins,fitOp,Verbose=False,Plot=False):
nrbin = nbins[1]
theta,Q = GetThetaQ(samWS)
Nbet = nbs[0]
dataEb = []
for n in range(0,Nbet):
dataEb.append(0.0)
yBet = []
eBet0 = numpy.zeros(Nbet)
Nsig = nbs[1]
dataEs = []
for n in range(0,Nsig):
dataEs.append(0.0)
ySig = []
eSig0 = numpy.zeros(Nsig)
rscl = 1.0
Qaxis = ''
for m in range(0,ngrp):
Expand All @@ -618,40 +596,42 @@ def QuestStart(ana,samWS,resWS,nbs,erange,nbins,fitOp,Verbose=False,Plot=False):
reals = [efix, theta[m], rscl, bnorm]
xsout,ysout,xbout,ybout,zpout=Que.quest(numb,Xv,Yv,Ev,reals,fitOp,
Xdat,Xb,Yb,wrks,wrkr,lwrk)
dataXs = Array2List(Nsig,xsout)
dataXs.append(2*dataXs[Nsig-1]-dataXs[Nsig-2])
dataYs = Array2List(Nsig,ysout)
for n in range(0,Nsig):
ySig.append(dataYs[n])
dataXb = Array2List(Nbet,xbout)
dataXb.append(2*dataXb[Nbet-1]-dataXb[Nbet-2])
dataYb = Array2List(Nbet,ybout)
for n in range(0,Nbet):
yBet.append(dataYb[n])
dataXs = xsout[:Nsig]
dataYs = ysout[:Nsig]
dataXb = xbout[:Nbet]
dataYb = ybout[:Nbet]
zpWS = fname + '_Zp' +str(m)
if (m > 0):
Qaxis += ','
Qaxis += str(Q[m])
for n in range(0,Nsig):
dataYzp = Array2Fit(Nbet,zpout,n)
yfit_list = numpy.split(zpout[:Nsig*Nbet],Nsig)
dataYzp = yfit_list[n]
if n == 0:
CreateWorkspace(OutputWorkspace=zpWS, DataX=dataXb, DataY=dataYzp, DataE=dataEb,
CreateWorkspace(OutputWorkspace=zpWS, DataX=xbout[:Nbet], DataY=dataYzp[:Nbet], DataE=eBet0,
Nspec=1, UnitX='MomentumTransfer')
else:
CreateWorkspace(OutputWorkspace='__Zpt', DataX=dataXb, DataY=dataYzp, DataE=dataEb,
CreateWorkspace(OutputWorkspace='__Zpt', DataX=xbout[:Nbet], DataY=dataYzp[:Nbet], DataE=eBet0,
Nspec=1, UnitX='MomentumTransfer')
Lib.conjoincreated([zpWS,'__Zpt'], zpWS, 'MomentumTransfer')
ConjoinWorkspaces(InputWorkspace1=zpWS, InputWorkspace2='__Zpt', CheckOverlapping=False)
if m == 0:
xSig = dataXs
ySig = dataYs
eSig = eSig0
xBet = dataXb
yBet = dataYb
eBet = eBet0
groupZ = zpWS
else:
xSig = numpy.append(xSig,dataXs)
ySig = numpy.append(ySig,dataYs)
eSig = numpy.append(eSig,eSig0)
xBet = numpy.append(xBet,dataXb)
yBet = numpy.append(yBet,dataYb)
eBet = numpy.append(eBet,eBet0)
groupZ = groupZ +','+ zpWS
DeleteWorkspace('__Zpt')
xSig = dataXs*ngrp
eSig = dataEs*ngrp
CreateWorkspace(OutputWorkspace=fname+'_Sigma', DataX=xSig, DataY=ySig, DataE=eSig,
Nspec=ngrp, UnitX='', VerticalAxisUnit='MomentumTransfer', VerticalAxisValues=Qaxis)
xBet = dataXb*ngrp
eBet = dataEb*ngrp
CreateWorkspace(OutputWorkspace=fname+'_Beta', DataX=xBet, DataY=yBet, DataE=eBet,
Nspec=ngrp, UnitX='', VerticalAxisUnit='MomentumTransfer', VerticalAxisValues=Qaxis)
group = fname + '_Sigma,'+ fname + '_Beta'
Expand Down Expand Up @@ -725,24 +705,18 @@ def ResNormStart(ana,vanWS,resWS,erange,nbin,Verbose=False,Plot='None'):
par1.append(pfit[0])
par2.append(pfit[1])
parE.append(0.0)
dataX = Array2List(nd,xout)
dataX.append(2*dataX[nd-1]-dataX[nd-2])
dataY = Array2List(nd,yout)
dataE = Array2List(nd,eout)
dataF = Array2List(nd,yfit)
dataG = []
for n in range(0,nd):
dataG.append(0.0)
dataX = xout[:nd]
dataX = numpy.append(dataX,2*xout[nd-1]-xout[nd-2])
if m == 0:
CreateWorkspace(OutputWorkspace='Data', DataX=dataX, DataY=dataY, DataE=dataE,
CreateWorkspace(OutputWorkspace='Data', DataX=dataX, DataY=yout[:nd], DataE=eout[:nd],
NSpec=1, UnitX='DeltaE')
CreateWorkspace(OutputWorkspace='Fit', DataX=dataX, DataY=dataF, DataE=dataG,
CreateWorkspace(OutputWorkspace='Fit', DataX=dataX, DataY=yfit[:nd], DataE=numpy.zeros(nd),
NSpec=1, UnitX='DeltaE')
else:
CreateWorkspace(OutputWorkspace='__datmp', DataX=dataX, DataY=dataY, DataE=dataE,
CreateWorkspace(OutputWorkspace='__datmp', DataX=dataX, DataY=yout[:nd], DataE=eout[:nd],
NSpec=1, UnitX='DeltaE')
ConjoinWorkspaces(InputWorkspace1='Data', InputWorkspace2='__datmp', CheckOverlapping=False)
CreateWorkspace(OutputWorkspace='__f1tmp', DataX=dataX, DataY=dataF, DataE=dataG,
CreateWorkspace(OutputWorkspace='__f1tmp', DataX=dataX, DataY=yfit[:nd], DataE=numpy.zeros(nd),
NSpec=1, UnitX='DeltaE')
ConjoinWorkspaces(InputWorkspace1='Fit', InputWorkspace2='__f1tmp', CheckOverlapping=False)
CreateWorkspace(OutputWorkspace=van+'_ResNorm_Intensity', DataX=parX, DataY=par1, DataE=parE,
Expand Down Expand Up @@ -800,14 +774,8 @@ def JumpStart(sname,jump,prog,fw,Verbose=False,Plot=False):
logger.notice(' Log10[Prob(Singwi-Sjolander|{Data})] = ' +str(res[1]))
logger.notice(' Coeff. A = ' +str(res[2])+ ' +- ' +str(res[3]))
logger.notice(' Coeff. RR = ' +str(res[4])+ ' +- ' +str(res[5]))
dataE = []
for n in range(0,nout):
dataE.append(0.0)
dataX = Array2List(nout,Xout)
dataX.append(2*dataX[nout-1]-dataX[nout-2])
dataY = Array2List(nout,Yout)
ftWS = sname +'_'+ jump + 'fit_' +fw
CreateWorkspace(OutputWorkspace=ftWS+'_Fit', DataX=dataX, DataY=dataY, DataE=dataE,
CreateWorkspace(OutputWorkspace=ftWS+'_Fit', DataX=Xout[:nout], DataY=Yout[:nout], DataE=numpy.zeros(nout),
Nspec=1, UnitX='MomentumTransfer')
CloneWorkspace(InputWorkspace=samWS, OutputWorkspace=ftWS+'_Data')
group = ftWS + '_Data,'+ ftWS +'_Fit'
Expand All @@ -821,7 +789,8 @@ def JumpStart(sname,jump,prog,fw,Verbose=False,Plot=False):
EndTime('Jump fit : '+jump+' from '+prog+' ; ')

def JumpPlot(inputWS):
j_plot=mp.plotSpectrum(inputWS,0,True)
j_plot=mp.plotSpectrum(inputWS+'_Data',0,True)
mp.mergePlots(j_plot,mp.plotSpectrum(inputWS+'_Fit',0,False))

def ResNormPlot(inputWS,Plot):
if (Plot == 'Intensity' or Plot == 'All'):
Expand Down

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