Changeset 1cdfd47 in sasmodels

Timestamp:

Apr 5, 2018 2:06:19 AM (7 years ago)

Author:

smk78

Branches:

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

Children:

bc1dac6

Parents:

d712a0f (diff), 05df1de (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' of ​https://github.com/SasView/sasmodels.git

Files:

• sasmodels/sasview_model.py (modified) (3 diffs)
• doc/guide/pd/polydispersity.rst (modified) (3 diffs)

sasmodels/sasview_model.py

@@ -593 +593 @@
             # Check whether we have a list of ndarrays [qx,qy]
             qx, qy = qdist
-            if not self._model_info.parameters.has_2d:
-                return self.calculate_Iq(np.sqrt(qx ** 2 + qy ** 2))
-            else:
-                return self.calculate_Iq(qx, qy)
+            return self.calculate_Iq(qx, qy)
 
         elif isinstance(qdist, np.ndarray):
@@ -677 +674 @@
         call_details, values, is_magnetic = make_kernel_args(calculator, pairs)
         #call_details.show()
-        #print("pairs", pairs)
+        #print("================ parameters ==================")
+        #for p, v in zip(parameters.call_parameters, pairs): print(p.name, v[0])
         #for k, p in enumerate(self._model_info.parameters.call_parameters):
         #    print(k, p.name, *pairs[k])
@@ -871 +869 @@
     CylinderModel().evalDistribution([0.1, 0.1])
 
+def magnetic_demo():
+    Model = _make_standard_model('sphere')
+    model = Model()
+    model.setParam('M0:sld', 8)
+    q = np.linspace(-0.35, 0.35, 500)
+    qx, qy = np.meshgrid(q, q)
+    result = model.calculate_Iq(qx.flatten(), qy.flatten())
+    result = result.reshape(qx.shape)
+
+    import pylab
+    pylab.imshow(np.log(result + 0.001))
+    pylab.show()
+
 if __name__ == "__main__":
     print("cylinder(0.1,0.1)=%g"%test_cylinder())
+    #magnetic_demo()
     #test_product()
     #test_structure_factor()

doc/guide/pd/polydispersity.rst

@@ -20 +20 @@
   P(q) = \text{scale} \langle F^* F \rangle / V + \text{background}
 
-where $F$ is the scattering amplitude and $\langle\cdot\rangle$ denotes an
-average over the size distribution.
+where $F$ is the scattering amplitude and $\langle\cdot\rangle$ denotes an 
+average over the size distribution $f(x; \bar x, \sigma)$, giving
+
+.. math::
+
+  P(q) = \frac{\text{scale}}{V} \int_\mathbb{R} 
+  f(x; \bar x, \sigma) F^2(q, x)\, dx + \text{background}
 
 Each distribution is characterized by a center value $\bar x$ or
@@ -41 +46 @@
 with larger values of $N_\sigma$ required for heavier tailed distributions.
 The scattering in general falls rapidly with $qr$ so the usual assumption
-that $G(r - 3\sigma_r)$ is tiny and therefore $f(r - 3\sigma_r)G(r - 3\sigma_r)$
+that $f(r - 3\sigma_r)$ is tiny and therefore $f(r - 3\sigma_r)f(r - 3\sigma_r)$
 will not contribute much to the average may not hold when particles are large.
 This, too, will require increasing $N_\sigma$.
@@ -63 +68 @@
 
 Additional distributions are under consideration.
+
+.. note:: In 2009 IUPAC decided to introduce the new term 'dispersity' to replace 
+           the term 'polydispersity' (see `Pure Appl. Chem., (2009), 81(2), 
+           351-353 <http://media.iupac.org/publications/pac/2009/pdf/8102x0351.pdf>`_ 
+           in order to make the terminology describing distributions of properties 
+           unambiguous. Throughout the SasView documentation we continue to use the 
+           term polydispersity because one of the consequences of the IUPAC change is 
+           that orientational polydispersity would not meet their new criteria (which 
+           requires dispersity to be dimensionless).
 
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