def updateKnots(self):
min = self.plot.knots[0].getPosition()
max = self.plot.knots[-1].getPosition()
kmin = calc.toKSpace(min, self.E0)
kmax = calc.toKSpace(max, self.E0)
self.plot.resetPlot()
size = self.spinBoxes.spinBox1.value()
div = (kmax - kmin) / (size - 1)
self.plot.addKnot(min)
self.plot.addBoundsExceptions(0, 0, self.E0)
for i in range(1, size - 1):
temp = calc.fromKSpace(kmin + i * div, self.E0)
temp2 = calc.getClosest(temp, self.xdata)
self.plot.addKnot(temp2)
self.plot.addKnot(max)
# self.normCurve=self.plot.insertCurve("norm")
self.plot.setCurvePen(self.normCurve, QPen(QColor(Qt.black), 2))
# self.splineCurve=self.plot.insertCurve("spline")
self.plot.setCurvePen(self.splineCurve, QPen(QColor(Qt.darkGreen), 2))
self.updatePlot()
def updateXAFSPlot(self):
self.kspace.clearFixedKnots()
normknots=self.norm.plot.knots
for knot in normknots[:-1]:
pos=knot.getPosition()
kpos=calc.toKSpace(pos,self.E0)
self.kspace.addFixedKnot(kpos)
pos=normknots[-1].getPosition()
kpos=calc.toKSpace(pos,self.E0)
self.kspace.addFixedKnot(kpos)
xdata=self.raw.xdata
normdata=self.norm.normdata
splinedata=self.norm.splinedata
#generate kdata
kdata=[]
for x in xdata:
kdata.append(calc.toKSpace(x,self.E0))
k0index=0
while(xdata[k0index]<self.E0):
k0index+=1
xafsdata=calc.calcXAFS(normdata[k0index:],splinedata[k0index:],kdata[k0index:])
self.kspace.setXAFSData(kdata[k0index:],xafsdata)
self.updateFFTPlot()
def editParameters(self):
edgeDialog=EdgeDialog()
edgeDialog.slotCheckBoxToggled(True)
edgeDialog.checkBox1.setChecked(True)
edgeDialog.setTitle(self.title)
edgeDialog.setValue(self.E0)
result=edgeDialog.exec_loop()
if(result==QDialog.Rejected):
return
self.E0=edgeDialog.getValue()
self.title=edgeDialog.getTitle()
xdata=self.raw.xdata
#check to see if E0 is reasonable!!
while((self.E0 < xdata[0]) or (self.E0 > xdata[-1])):
#for some reason, in windows, the str version used wasn't the
#builtin version to convert between numbers and strings
errstr="There appears to be a problem with E0="+__builtins__.str(self.E0)+". This value does not fall in the range of your data."
QMessageBox.critical(self,QString("Error with E0"),QString(errstr))
result=edgeDialog.exec_loop()
if(result==QDialog.Rejected):
return
self.E0=edgeDialog.getValue()
self.title=edgeDialog.getTitle()
self.norm.plot.addBoundsExceptions(0,0,self.E0)
pos=calc.getClosest(self.E0,xdata)
self.norm.plot.knots[0].setPosition(pos)
kmax=calc.toKSpace(xdata[-1],self.E0)
kmin=calc.toKSpace(pos,self.E0)
self.kspace.plot.resetPlot()
self.setupXAFSPlot(kmax,kmin,kmax)
#self.kdata,self.k0index=self.calcKSpace(self.xdata)
self.updateNormPlot()
def fileImport(self):
xdata=[]
ydata=[]
i0data=[]
filename=QFileDialog.getOpenFileName(QString.null,QString("*.dat;;*"))
self.filename=filename.latin1()
if self.filename == None:
return
file=open(filename.latin1())
line=file.readline()
while(line):
array=string.split(line)
#assume ev k i0 raw
if(len(array)==4):
xdata.append(float(array[0]))
i0data.append(float(array[2]))
ydata.append(float(array[3]))
#assume ev k
else:
xdata.append(float(array[0]))
ydata.append(float(array[1]))
i0data.append(0.0)
line=file.readline()
file.close()
edgeDialog=EdgeDialog()
result=edgeDialog.exec_loop()
if(result==QDialog.Rejected):
return
self.E0=edgeDialog.getValue()
self.title=edgeDialog.getTitle()
#check to see if E0 is reasonable!!
while((self.E0 < xdata[0]) or (self.E0 > xdata[-1])):
#for some reason, in windows, the str version used wasn't the
#builtin version to convert between numbers and strings
errstr="There appears to be a problem with E0="+str(self.E0)+". This value does not fall in the range of your data."
QMessageBox.critical(self,QString("Error with E0"),QString(errstr))
result=edgeDialog.exec_loop()
if(result==QDialog.Rejected):
return
self.E0=edgeDialog.getValue()
self.title=edgeDialog.getTitle()
self.resetPlots()
self.setupRawPlot(xdata,ydata,xdata[0],xdata[-1],2)
self.setupNormPlot(xdata,[self.E0,xdata[-1]],[2])
self.i0.setI0Data(xdata,i0data)
kmax=calc.toKSpace(xdata[-1],self.E0)
self.setupXAFSPlot(kmax,0,kmax)
self.raw.updatePlot()
def fileStringOpen(self,str):
if str == None:
return
self.filename=str
file=open(str)
#check to see if it has a title
line=file.readline()
if(line[:5]=='TITLE'):
self.title=line[6:-1]
line=file.readline()
#check to see if line is a comment
while(line[0]=='#'):
self.comments.append(line[2:-1])
line=file.readline()
#read E0
array=string.split(line)
self.E0=float(array[1])
#read background bounds and order
#BACKGROUND lowx (order) highx
line=file.readline()
array=string.split(line)
rawlowx = float(array[1])
rawhighx = float(array[3])
raworder = int(array[2][1:-1])
#read spline info into makers and orders lists
#SPLINE marker (order) marker (order) marker .....
line=file.readline()
array=string.split(line)
markers=[]
orders=[]
for i in range(1,len(array)-2,2):
markers.append(float(array[i]))
orders.append(int(array[i+1][1]))
markers.append(float(array[-2]))
#check to see if k-window is specified
#if not, column header is stripped
line=file.readline()
array=string.split(line)
if(array[0]=='KWIN'):
window=(float(array[1]),float(array[2]))
line=file.readline()
#file stream is now data, read it
arrs=self.readArray(file)
file.close()
#arrs looks like:
#[ [col1 col2 col3 col4]
# [col1 col2 col3 col4]
# ....
# ]]
#transpose to get columns in useful format
data=transpose(arrs)
xdata=data[0].tolist()
i0data=data[2].tolist()
ydata=data[3].tolist()
self.resetPlots()
rawlowx=calc.getClosest(rawlowx,xdata)
rawhighx=calc.getClosest(rawhighx,xdata)
self.setupRawPlot(xdata,ydata,rawlowx,rawhighx,raworder)
self.setupNormPlot(xdata,markers,orders)
self.i0.setI0Data(xdata,i0data)
kmax=calc.toKSpace(xdata[-1],self.E0)
self.setupXAFSPlot(kmax,window[0],window[1])
self.raw.updatePlot()
