Changeset 4788822 in sasmodels

Timestamp:

Mar 19, 2017 9:21:34 PM (8 years ago)

Author:

butler

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

df89d77

Parents:

9f12fbe

Message:

added polydispersity back to fractal (as it used to be, as the
documentation implies and as core_shell_fractal already has). Also
formatted documentation according to current standard for references and
authorship/verification. Fixes #877

Location:

sasmodels/models

Files:

• fractal.c (modified) (2 diffs)
• fractal.py (modified) (2 diffs)

sasmodels/models/fractal.c

@@ -1 +1 @@
 #define INVALID(p) (p.fractal_dim < 0.0)
+
+ static double
+ form_volume(double radius)
+ {
+     return M_4PI_3 * cube(radius);
+ }
 
 static double
@@ -13 +19 @@
 
     //calculate P(q) for the spherical subunits
-    const double V = M_4PI_3*cube(radius);
-    const double pq = V * square((sld_block-sld_solvent)*sas_3j1x_x(q*radius));
+    const double pq = square(form_volume(radius) * (sld_block-sld_solvent)
+                      *sas_3j1x_x(q*radius));
 
     // scale to units cm-1 sr-1 (assuming data on absolute scale)

sasmodels/models/fractal.py

@@ -47 +47 @@
 ----------
 
-J Teixeira, *J. Appl. Cryst.*, 21 (1988) 781-785
+.. [#] J Teixeira, *J. Appl. Cryst.*, 21 (1988) 781-785
 
-**Author:** NIST IGOR/DANSE **on:** pre 2010
+Authorship and Verification
+----------------------------
 
-**Last Modified by:** Paul Butler **on:** March 20, 2016
-
-**Last Reviewed by:** Paul Butler **on:** March 20, 2016
+* **Author:** NIST IGOR/DANSE **Date:** pre 2010
+* **Converted to sasmodels by:** Paul Butler **Date:** March 19, 2016
+* **Last Modified by:** Paul Butler **Date:** March 12, 2017
+* **Last Reviewed by:** Paul Butler **Date:** March 12, 2017
 
 """
@@ -84 +86 @@
 parameters = [["volfraction", "", 0.05, [0.0, 1], "",
                "volume fraction of blocks"],
-              ["radius",    "Ang",  5.0, [0.0, inf], "",
+              ["radius",    "Ang",  5.0, [0.0, inf], "volume",
                "radius of particles"],
               ["fractal_dim",      "",  2.0, [0.0, 6.0], "",