Changeset 9150036 in sasmodels for example

Timestamp:

Mar 6, 2019 6:05:28 PM (5 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

f64b154, bd91e8f, c11d09f, 02226a2

Parents:

e589e9a (diff), 37f38ff (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'master' into beta_approx

Location:

example

Files:

• multiscatfit.py (modified) (3 diffs)
• cylinder_eval.py (modified) (1 diff)

example/multiscatfit.py

@@ -15 +15 @@
 
     # Show the model without fitting
-    PYTHONPATH=..:../explore:../../bumps:../../sasview/src python multiscatfit.py
+    PYTHONPATH=..:../../bumps:../../sasview/src python multiscatfit.py
 
     # Run the fit
-    PYTHONPATH=..:../explore:../../bumps:../../sasview/src ../../bumps/run.py \
+    PYTHONPATH=..:../../bumps:../../sasview/src ../../bumps/run.py \
     multiscatfit.py --store=/tmp/t1
 
@@ -55 +55 @@
     )
 
+# 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)
@@ -65 +71 @@
 model.scale.range(0, 0.1)
 
-# Mulitple scattering probability parameter
-# HACK: the probability is stuffed in as an extra parameter to the experiment.
-probability = Parameter(name="probability", value=0.0)
-probability.range(0.0, 0.9)
+# 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)
 
-M = Experiment(data=data, model=model, extra_pars={'probability': probability})
-
-# Stack mulitple scattering on top of the existing resolution function.
-# Because resolution functions in sasview don't have fitting parameters,
-# we instead allow the multiple scattering calculator to take a function
-# instead of a probability.  This function returns the current value of
-# the parameter. ** THIS IS TEMPORARY ** when multiple scattering is
-# properly integrated into sasmodels and sasview, its fittable parameter
-# will be treated like the model parameters.
-M.resolution = MultipleScattering(resolution=M.resolution,
-                                  probability=lambda: probability.value,
-                                  )
-M._kernel_inputs = M.resolution.q_calc
+# Let bumps know that we are fitting this experiment
 problem = FitProblem(M)
 

example/cylinder_eval.py

@@ -3 +3 @@
 """
 
-from numpy import logspace
+from numpy import logspace, sqrt
 from matplotlib import pyplot as plt
 from sasmodels.core import load_model
-from sasmodels.direct_model import call_kernel
+from sasmodels.direct_model import call_kernel, call_Fq
 
 model = load_model('cylinder')
 q = logspace(-3, -1, 200)
 kernel = model.make_kernel([q])
-Iq = call_kernel(kernel, dict(radius=200.))
-plt.loglog(q, Iq)
+pars = {'radius': 200, 'radius_pd': 0.1, 'scale': 2}
+Iq = call_kernel(kernel, pars)
+F, Fsq, Reff, V, Vratio = call_Fq(kernel, pars)
+plt.loglog(q, Iq, label='2 I(q)')
+plt.loglog(q, F**2/V, label='<F(q)>^2/V')
+plt.loglog(q, Fsq/V, label='<F^2(q)>/V')
 plt.xlabel('q (1/A)')
-plt.ylabel('I(q)')
+plt.ylabel('I(q) (1/cm)')
 plt.title('Cylinder with radius 200.')
+plt.legend()
 plt.show()