) #set a fitable chi (Martin used this method with value and fitted factor, because he didn't have the oportunity to fit complex values, I just reproduce)
#cap_chi=pp.newParameter("cap_chi_factor") #variant with a complex fit parameter (to realy use a complex parameter, set complex start value and limits in the parameter file)
cap = SampleRepresentation.LayerObject(
chitensor=[cap_chi], d=cap_thickness,
sigma=cap_roughness) #create the layer object
hs.setLayer(2, cap) #add layer to Heterostructure
#####################################################################################
#### set up the EXPERIMENT and how the data files are interpreted
# create therefore the ReflDatSimulator object
# set the mode to "cLx" with a xfactor given by contribution_of_xmcd_to_fit (meaning that the logarithm of circular polarized reflection
# and xmcd are simultaniously handeled by the object and the xmcd is multiplied by the xfactor contribution_of_xmcd_to_fit, to make it more important for the fit)
# length_scale=1e-9 means every length (thickness, wavelength, rouughness, ...) is measured in nm (this is also the default), for Angstroem you should enter length_scale=1e-10
simu = Experiment.ReflDataSimulator(mode="cLx" +
str(contribution_of_xmcd_to_fit),
length_scale=1e-10)
#define the function namereader which delivers the energy belonging to a certain data file from its name as tupel (energy, angle) where angle is set to None because there are different angles in every data file
namereader = lambda string: (float(string[4:9]), None)
#create a function "linereader" which delivers angle,reflectivities and xmcd signal from one line of the data files
#use for this the "ReflDataSimulator.createLinereader" method
#you can also define a function by yourself. It has to take a string and give a tupel/list [energy,angle,rsigma,rpi,rleft,rright,xmcd]. Unused entries set to "None".
linereader = simu.createLinereader(angle_column=0,
rleft_column=1,
rright_column=2,
xmcd_column=3)
#read the experimental data from all files located in the folder "little_fit_program_reloaded_data" (instead you could also specify a list of filenames)
#energies, anlges, reflectivities and xmcd signals are obtained from filename and the lines of the textfiles using namereader and linereader
d=pp.newParameter("contamination_thickness"),
sigma=pp.newParameter("contamination_roughness"))
###plug layers into heterostructure
print("... plug layers into heterostructure")
hs.setLayer(0, substrate_layer)
hs.setLayer(1, layer_SrRuO3)
hs.setLayer(2, layer_LSMO)
#hs.setLayer(3,layer_MnO2)
hs.setLayer(3, cap_layer)
hs.setLayer(4, carbon_contamination)
#### set up experiment ###########################################################################
# instantiate experiment for linear polarization ("l") and set length scale to Angstroem
simu = Experiment.ReflDataSimulator("lL", length_scale=1e-10)
namereader = lambda string: (float(string[:-4].split("_")[
-2]), None) #liefert energy aus den Dateinamen der verwendeten dateien
def pointmodifier(
point
): #berechnet winkel aus qz und energy und ersetzt qz dadurch. Alle anderen Werte des Datenpunktes bleiben unveraendert
point[1] = 180.0 / (numpy.pi) * numpy.arcsin(point[1] * simu.hcfactor /
(2 * numpy.pi) /
(2 * point[0]))
return point
print("... read experimental data")
"Al.F",
SampleRepresentation.FFfromFile.createLinereader(
complex_numbers=False)))
al1 = SampleRepresentation.AtomLayerObject(
{
"Sr": pp.newParameter("al1_density_Sr"),
"Al": pp.newParameter("al1_density_Al"),
"Co": pp.newParameter("al1_density_Co")
}, pp.newParameter("al1_d"))
hs.setLayer(8, al1)
#set up experiment
simu = Experiment.ReflDataSimulator("l")
namereader = lambda string: (
float(string[-9:-4]), None
) #liefert energy aus den Dateinamen der verwendeten dateien
def pointmodifier(
point
): #berechnet winkel aus qz und energy und ersetzt qz dadurch. Alle anderen Werte des Datenpunktes bleiben unveraendert
point[1] = 360.0 / (2 * numpy.pi) * numpy.arcsin(
point[1] * simu.hcfactor / (2 * point[0]))
return point
simu.ReadData("data",
simu.createLinereader(energy_column=1,
angle_column=0,