Changeset e481a39 in sasmodels for sasmodels/models/binary_hard_sphere.py

Timestamp:

Mar 20, 2016 7:06:10 AM (8 years ago)

Author:

butler

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:

3f12f59

Parents:

dff1088

Message:

cleanup of binary hard sphere model - now passes tests and docs works.
also removed some compilser warnings.

File:

• sasmodels/models/binary_hard_sphere.py (modified) (6 diffs)

sasmodels/models/binary_hard_sphere.py

@@ -1 +1 @@
 r"""
 
+Definition
+----------
 The binary hard sphere model provides the scattering intensity, for binary
 mixture of hard spheres including hard sphere interaction between those
 particles, using rhw Percus-Yevick closure. The calculation is an exact
 multi-component solution that properly accounts for the 3 partial structure
-factors.
-
-Definition
-----------
+factors as follows:
 
 .. math::
 
     \begin{eqnarray}
-    I(q) = (1-x)f_1^2(q) S_{11}(q) + 2[x(1-x)]^{1/2} f_1(q)f_2(q)S_{12}(q) + \\
-    x\,f_2^2(q)S_{22}(q) \\
+    I(q) = (1-x)f_1^2(q) S_{11}(q) + 2[x(1-x)]^{1/2} f_1(q)f_2(q)S_{12}(q) +
+    x\,f_2^2(q)S_{22}(q)
     \end{eqnarray}
 
@@ -26 +25 @@
 
     \begin{eqnarray}
-    x &=& \frac{(\phi_2 / \phi)\alpha^3}{(1-(\phi_2/\phi) + (\phi_2/\phi) \\
-    \alpha^3)} \phi &=& \phi_1 + \phi_2 = \text{total volume fraction} \\
+    x &=& \frac{(\phi_2 / \phi)\alpha^3}{(1-(\phi_2/\phi) + (\phi_2/\phi)
+    \alpha^3)} \\
+    \phi &=& \phi_1 + \phi_2 = \text{total volume fraction} \\
     \alpha &=& R_1/R_2 = \text{size ratio}
     \end{eqnarray}
@@ -69 +69 @@
 **Author:** N/A **on:**
 
-**Modified by:** Paul Butler **on:** March 18, 2016
+**Last Modified by:** Paul Butler **on:** March 20, 2016
 
-**Reviewed by:** Paul Butler **on:** March 18, 2016
+**Last Reviewed by:** Paul Butler **on:** March 20, 2016
 """
 
-import numpy as np
-from numpy import pi, inf
+from numpy import inf
+
+category = "shape:sphere"
+single = False  # double precision only!
 
 name = "binary_hard_sphere"
@@ -90 +92 @@
         sld_solvent: solvent scattering length density.
 """
-category = "shape:sphere"
-
 #             ["name", "units", default, [lower, upper], "type", "description"],
 parameters = [["radius_lg", "Ang", 100, [0, inf], "",
@@ -112 +112 @@
 
 # parameters for demo and documentation
-demo = dict(scale=1, background=0,
-            sld_lg=3.5, sld_sm=0.5, sld_solvent=6.36,
+demo = dict(sld_lg=3.5, sld_sm=0.5, sld_solvent=6.36,
             radius_lg=100, radius_sm=20,
             volfraction_lg=0.1, volfraction_sm=0.2)
@@ -125 +124 @@
 
 # NOTE: test results taken from values returned by SasView 3.1.2
-tests = [[{'scale':1.0}, 0.001, 25.8927262013]]
+tests = [[{}, 0.001, 25.8927262013]]