def get_simulation(params, add_masks=True):
"""
Create and return GISAXS simulation with beam and detector defined
"""
simulation = ba.GISASSimulation()
simulation.setDetectorParameters(100, -1.0*deg, 1.0*deg, 100, 0.0*deg, 2.0*deg)
simulation.setBeamParameters(1.0*angstrom, 0.2*deg, 0.0*deg)
simulation.setBeamIntensity(1e+08)
simulation.setSample(get_sample(params))
if add_masks:
"""
At this point we mask all the detector and then unmask two areas
corresponding to the vertical and horizontal lines. This will make
simulation/fitting to be performed along slices only.
"""
simulation.maskAll()
simulation.addMask(ba.HorizontalLine(alpha_slice_value*deg), False)
simulation.addMask(ba.VerticalLine(phi_slice_value*deg), False)
return simulation
def run_fitting():
"""
main function to run fitting
"""
real_data = create_real_data()
sample = get_sample()
simulation = get_simulation()
simulation.setSample(sample)
# At this point we mask all the detector and then unmask two areas
# corresponding to the vertical and horizontal lines. This will make
# simulation/fitting to be performed along slices only.
simulation.maskAll()
simulation.addMask(ba.HorizontalLine(alpha_slice_value * deg), False)
simulation.addMask(ba.VerticalLine(phi_slice_value * deg), False)
fit_suite = ba.FitSuite()
fit_suite.addSimulationAndRealData(simulation, real_data)
fit_suite.initPrint(5)
draw_observer = DrawObserver(draw_every_nth=5)
fit_suite.attachObserver(draw_observer)
# setting fitting parameters with starting values
fit_suite.addFitParameter("*/Cylinder/Radius", 6. * nm).setLimited(4., 8.)
fit_suite.addFitParameter("*/Cylinder/Height", 9. * nm).setLimited(8., 12.)
# running fit
fit_suite.runFit()
print("Fitting completed.")
print("chi2:", fit_suite.getChi2())
for fitPar in fit_suite.fitParameters():
print(fitPar.name(), fitPar.value(), fitPar.error())