Changeset 99658f6 in sasmodels for sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c

Timestamp:

Nov 6, 2018 2:10:43 PM (5 years ago)

Author:

grethevj

Branches:

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

Children:

cf3d0ce

Parents:

5024a56

Message:

updated ER functions including cylinder excluded volume, to match 4.x

File:

• sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c (modified) (2 diffs)

sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c

@@ -9 +9 @@
     return M_PI*(  (r_minor + thick_rim)*(r_minor*x_core + thick_rim)* length +
                  square(r_minor)*x_core*2.0*thick_face  );
+}
+
+static double
+radius_from_excluded_volume(double r_minor, double x_core, double thick_rim, double thick_face, double length)
+{
+    const double r_equiv     = sqrt((r_minor + thick_rim)*(r_minor*x_core + thick_rim));
+    const double length_tot  = length + 2.0*thick_face;
+    return 0.5*cbrt(0.75*r_equiv*(2.0*r_equiv*length_tot + (r_equiv + length_tot)*(M_PI*r_equiv + length_tot)));
 }
 
@@ -32 +40 @@
     switch (mode) {
     default:
-    case 1: // equivalent sphere
+    case 1: // equivalent cylinder excluded volume
+        return radius_from_excluded_volume(r_minor, x_core, thick_rim, thick_face, length);
+    case 2: // equivalent sphere
         return radius_from_volume(r_minor, x_core, thick_rim, thick_face, length);
-    case 2: // outer rim average radius
+    case 3: // outer rim average radius
         return 0.5*r_minor*(1.0 + x_core) + thick_rim;
-    case 3: // outer rim min radius
+    case 4: // outer rim min radius
         return (x_core < 1.0 ? x_core*r_minor+thick_rim : r_minor+thick_rim);
-    case 4: // outer max radius
+    case 5: // outer max radius
         return (x_core > 1.0 ? x_core*r_minor+thick_rim : r_minor+thick_rim);
-    case 5: // half outer thickness
+    case 6: // half outer thickness
         return 0.5*length + thick_face;
-    case 6: // half diagonal (this ignores the missing "corners", so may give unexpected answer if thick_face
+    case 7: // half diagonal (this ignores the missing "corners", so may give unexpected answer if thick_face
             //  or thick_rim is extremely large)
         return radius_from_diagonal(r_minor,x_core,thick_rim,thick_face,length);