#!/usr/bin/env python # -*- coding: utf-8 -*- """ Fit model using multiple scattering. As of this writing, multiscattering isn't integrated into sasmodels, and a number of hacks are required to get it running as a fit. The appropriate items need to be on the python path. These include sasview (for reading the data), sasmodels and bumps. The multiscat module (currently in the sasmodels/explore directory) is also needed, either beside this example fit file, or by putting sasmdoels/explore on the python path. On Unix/Mac running as developer I do:: # Show the model without fitting PYTHONPATH=..:../../bumps:../../sasview/src python multiscatfit.py # Run the fit PYTHONPATH=..:../../bumps:../../sasview/src ../../bumps/run.py \ multiscatfit.py --store=/tmp/t1 You may be able to run multiscatfit.py against the distributed sasview application (if it is new enough, and if you have multiscat.py in the same directory). You probably need a command such as:: sasview.exe bumps.cli multiscatfit.py --store=t1 """ import sys from bumps.names import * from sasmodels.core import load_model from sasmodels.bumps_model import Model, Experiment from sasmodels.data import load_data, set_beam_stop, set_top from sasmodels.multiscat import MultipleScattering ## Load the data #data = load_data('DEC07267.DAT') #set_beam_stop(data, 0.003, outer=0.025) data = load_data('latex_smeared.xml', index=0) ## Define the model kernel = load_model("ellipsoid") model = Model( kernel, scale=0.005, background=0.05, radius_polar=2200, radius_equatorial=2200, sld=.291, sld_solvent=7.105, #theta=90, theta_pd=0, theta_pd_n=0, theta_pd_nsigma=3, #phi=90, phi_pd=0, phi_pd_n=20, phi_pd_nsigma=3, radius_polar_pd=0.222296, radius_polar_pd_n=1, radius_polar_pd_nsigma=0, radius_equatorial_pd=.000128, radius_equatorial_pd_n=1, radius_equatorial_pd_nsigma=0, ) # Tie the model to the data M = Experiment(data=data, model=model) # Stack mulitple scattering on top of the existing resolution function. M.resolution = MultipleScattering(resolution=M.resolution, probability=0.) # SET THE FITTING PARAMETERS model.radius_polar.range(15, 3000) model.radius_equatorial.range(15, 3000) #model.theta.range(0, 90) #model.theta_pd.range(0,10) #model.phi_pd.range(0,20) #model.phi.range(0, 180) model.background.range(0,1000) model.scale.range(0, 0.1) # The multiple scattering probability parameter is in the resolution function # instead of the scattering function, so access it through M.resolution M.scattering_probability.range(0.0, 0.9) # Let bumps know that we are fitting this experiment problem = FitProblem(M) if __name__ == "__main__": #M.theory() M.plot() import pylab; pylab.show()