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#!/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()
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