Changeset 5d3d7b4 in sasmodels

Timestamp:

Sep 4, 2014 11:40:26 AM (10 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

6798848

Parents:

6ce1a29

Message:

fix tangential and simultaneous fit in example

Files:

• README.rst (modified) (1 diff)
• example/fit.py (modified) (8 diffs)

README.rst

@@ -9 +9 @@
 the distributed package.  New models can be added if OpenCL or a C compiler
 is available.
+
+Example
+-------
+
+The example directory contains a radial+tangential data set for an oriented
+rod-like shape.
+
+The data is loaded by sans.dataloader from the sasview package, so sasview
+is needed to run the example.
+
+To run the example, you need sasview, sasmodels and bumps.  Assuming these
+repositories are installed side by side, change to the sasmodels/example
+directory and enter::
+
+    PYTHONPATH=..:../../sasview/src ../../bumps/run.py fit.py \
+        cylinder --preview
+
+See bumps documentation for instructions on running the fit.  With the
+python packages installed, e.g., into a virtual environment, then the
+python path need not be set, and the command would be::
+
+    bumps fit.py cylinder --preview
+
+The fit.py model accepts up to two arguments.  The first argument is the
+model type, which has been defined for cylinder, capped_cylinder,
+core_shell_cylinder, ellipsoid, triaxial_ellipsoid and lamellar.  The
+second argument is view, which can be radial or tangential.  To fit
+both radial and tangential simultaneously, use the word "both".
+
+Notes
+-----
 
 cylinder.c + cylinder.py is the cylinder model with renamed variables and

example/fit.py

@@ -18 +18 @@
 name = "ellipsoid" if len(sys.argv) < 2 else sys.argv[1]
 section = "radial" if len(sys.argv) < 3 else sys.argv[2]
-data = radial_data if section is not "tangent" else tan_data
+if section not in ("radial","tangential","both"):
+    raise ValueError("section %r should be 'radial', 'tangential' or 'both'"
+            % section)
+data = radial_data if section != "tangential" else tan_data
+phi = 0 if section != "tangential" else 90
 kernel = sas.load_model(name, dtype="single")
 cutoff = 1e-3
@@ -28 +32 @@
     sld=.291, solvent_sld=7.105,
     background=0,
-    theta=90, phi=0,
+    theta=90, phi=phi,
     theta_pd=15, theta_pd_n=40, theta_pd_nsigma=3,
     rpolar_pd=0.222296, rpolar_pd_n=1, rpolar_pd_nsigma=0,
@@ -65 +69 @@
     pars = dict(scale=0.0023, radius=92.5, length=798.3,
         sld=.29, solvent_sld=7.105, background=5,
-        theta=0, phi=0,
+        theta=0, phi=phi,
         theta_pd=22.11, theta_pd_n=5, theta_pd_nsigma=3,
         radius_pd=.0084, radius_pd_n=10, radius_pd_nsigma=3,
@@ -75 +79 @@
         sld=.291, solvent_sld=5.77, 
         radius=250, length=178, 
-        theta=90, phi=0,
+        theta=90, phi=phi,
         radius_pd=0.1, radius_pd_n=5, radius_pd_nsigma=3,
         length_pd=0.1,length_pd_n=5, length_pd_nsigma=3,
@@ -98 +102 @@
     scale= .031, radius=19.5, thickness=30, length=22,
     core_sld=7.105, shell_sld=.291, solvent_sld=7.105,
-    background=0, theta=0, phi=0,
+    background=0, theta=0, phi=phi,
 
     radius_pd=0.26, radius_pd_n=10, radius_pd_nsigma=3,
@@ -125 +129 @@
     scale=.08, radius=20, cap_radius=40, length=400,
     sld_capcyl=1, sld_solv=6.3,
-    background=0, theta=0, phi=0,
+    background=0, theta=0, phi=phi,
     radius_pd=.1, radius_pd_n=5, radius_pd_nsigma=3,
     cap_radius_pd=.1, cap_radius_pd_n=5, cap_radius_pd_nsigma=3,
@@ -140 +144 @@
     scale=0.08, req_minor=15, req_major=20, rpolar=500,
     sldEll=7.105, solvent_sld=.291,
-    background=5, theta=0, phi=0, psi=0,
+    background=5, theta=0, phi=phi, psi=0,
     theta_pd=20, theta_pd_n=40, theta_pd_nsigma=3,
     phi_pd=.1, phi_pd_n=1, phi_pd_nsigma=0,
@@ -162 +166 @@
 
 model.cutoff = cutoff
-if section is "both":
+if section == "both":
    tan_model = sas.BumpsModel(tan_data, model.model, model.parameters())
    tan_model.phi = model.phi - 90
+   tan_model.cutoff = cutoff
    problem = FitProblem([model, tan_model])
 else: