def Fblock(a, first): # read Ascii block of Floats
line1 = a[first]
line2 = a[first + 1]
val = ExtractInt(line2)
numb = val[0]
lines = numb / 5
last = numb - 5 * lines
if line1.startswith('F'):
error = ''
else:
error = 'NOT an F block starting at line ' + str(first)
logger.information('ERROR *** ' + error)
sys.exit(error)
fval = []
for m in range(0, lines):
mm = first + 2 + m
val = ExtractFloat(a[mm])
for n in range(0, 5):
fval.append(val[n])
mm += 1
val = ExtractFloat(a[mm])
for n in range(0, last):
fval.append(val[n])
mm += 1
return mm, fval # values as list
def ReadInxGroup(asc, n, lgrp): # read ascii x,y,e
x = []
y = []
e = []
first = n * lgrp
last = (n + 1) * lgrp
val = ExtractFloat(asc[first + 2])
Q = val[0]
for m in range(first + 4, last):
val = ExtractFloat(asc[m])
x.append(val[0] / 1000.0)
y.append(val[1])
e.append(val[2])
npt = len(x)
return Q, npt, x, y, e # values of x,y,e as lists
def IN13Read(instr, run, ana, refl, Plot, Save): # Ascii start routine
workdir = config['defaultsave.directory']
path, fname = getFilePath(run, '.asc', instr)
logger.information('Reading file : ' + path)
asc = loadFile(path)
# header block
text = asc[1]
run = text[:8]
text = asc[4] # run line
instr = text[:4]
next, Ival = Iblock(asc, 5)
nsubsp = Ival[0]
nspec = Ival[153] - 2
# text block
text = asc[25]
title = text[:20]
# para1 block
next, Fval = Fblock(asc, 32)
ntemp = int(Fval[6])
f1 = ntemp / 10
ltemp = int(f1)
f2 = f1 - 10 * ltemp
if f2 >= 0.:
ltemp = ltemp + 1
wave = 2.0 * Fval[81]
logger.information('No. sub-spectra : ' + str(nsubsp))
logger.information('No. spectra : ' + str(nspec))
logger.information('Scan type : ' + str(int(Fval[8])) +
' ; Average energy : ' + str(Fval[9]))
logger.information('CaF2 lattice : ' + str(Fval[81]) +
' ; Graphite lattice : ' + str(Fval[82]))
logger.information('Wavelength : ' + str(wave))
logger.information('No. temperatures : ' + str(ntemp))
logger.information('No. temperature lines : ' + str(ltemp))
# para2 block
next, Fval = Fblock(asc, next)
angles = Fval[:nspec]
logger.information('Angles : ' + str(angles))
lspec = 4 + ltemp
# monitors
psd = next + (nspec + 2048) * lspec
l1m1 = psd + 1
l2m1 = l1m1 + 3
mon1 = ExtractFloat(asc[l2m1])
logger.information('Mon1 : Line ' + str(l2m1) + ' : ' + asc[l2m1])
# raw spectra
first = next
xDat = angles
y2D = []
e2D = []
for n in range(0, nspec):
ylist = []
elist = []
l1 = first + lspec * n + 1
logger.information('Line ' + str(l1) + ' : ' + asc[l1])
for l in range(0, ltemp):
l2 = l1 + 3 + l
val = ExtractFloat(asc[l2])
nval = len(val)
for m in range(0, nval):
ylist.append(val[m] / mon1[m])
elist.append(math.sqrt(val[m]) / mon1[m])
y2D.append(ylist)
e2D.append(elist)
# create WS
npt = len(xDat)
xDat.append(2 * xDat[npt - 1] - xDat[npt - 2])
ascWS = fname + '_' + ana + refl + '_ang'
outWS = fname + '_' + ana + refl + '_q'
xD = np.array(xDat)
k0 = 4 * math.pi / wave
Q = []
for n in range(0, nspec):
if angles[n] >= 180.0:
angles[n] = 360.0 - angles[n]
theta = math.radians(angles[n] / 2.)
qq = k0 * math.sin(theta)
Q.append(qq)
Qa = np.array(Q)
sorted_indices = Qa.argsort()
sorted_Q = Qa[sorted_indices]
lxdq = len(sorted_Q)
xlast = 2 * sorted_Q[lxdq - 1] - sorted_Q[lxdq - 2]
sorted_Q = np.append(sorted_Q, xlast)
xDq = sorted_Q
for m in range(0, nval):
ylist = []
elist = []
for n in range(0, nspec):
ylist.append(y2D[n][m])
elist.append(e2D[n][m])
y1D = np.array(ylist)
e1D = np.array(elist)
y1Dq = y1D[sorted_indices]
e1Dq = e1D[sorted_indices]
if m == 0:
xData = xD
yData = y1D
eData = e1D
xDq = sorted_Q
yDq = y1Dq
eDq = e1Dq
else:
xData = np.append(xData, xD)
yData = np.append(yData, y1D)
eData = np.append(eData, e1D)
xDq = np.append(xDq, sorted_Q)
yDq = np.append(yDq, y1Dq)
eDq = np.append(eDq, e1Dq)
CreateWorkspace(OutputWorkspace=ascWS,
DataX=xData,
DataY=yData,
DataE=eData,
Nspec=3,
UnitX='MomentumTransfer')
IN13Paras(ascWS, run, title, wave)
CreateWorkspace(OutputWorkspace=outWS,
DataX=xDq,
DataY=yDq,
DataE=eDq,
Nspec=3,
UnitX='MomentumTransfer')
IN13Paras(outWS, run, title, wave)
if Save:
opath = os.path.join(workdir, outWS + '.nxs')
SaveNexusProcessed(InputWorkspace=outWS, Filename=opath)
logger.information('Output file : ' + opath)
if Plot != 'None':
plotForce(outWS, Plot)
return outWS
