Changeset d277229 in sasmodels for sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c

Timestamp:

Sep 7, 2018 3:29:38 AM (6 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:

3c60146

Parents:

2a12351b

Message:

Models updated to include choices for effective interaction radii

File:

• sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c (modified) (1 diff)

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_volume(double r_minor, double x_core, double thick_rim, double thick_face, double length)
+{
+    const double volume_bicelle = form_volume(r_minor, x_core, thick_rim,thick_face,length);
+    return cbrt(0.75*volume_bicelle/M_PI);
+}
+
+static double
+radius_from_diagonal(double r_minor, double x_core, double thick_rim, double thick_face, double length)
+{
+    const double radius_max = (x_core < 1.0 ? r_minor : x_core*r_minor);
+    const double radius_max_tot = radius_max + thick_rim;
+    const double length_tot = length + 2.0*thick_face;
+    return sqrt(radius_max_tot*radius_max_tot + 0.25*length_tot*length_tot);
+}
+
+static double
+effective_radius(int mode, double r_minor, double x_core, double thick_rim, double thick_face, double length)
+{
+    if (mode == 1) {
+        return radius_from_volume(r_minor, x_core, thick_rim, thick_face, length);
+    } else if (mode == 2) {
+        return 0.5*r_minor*(1.0 + x_core) + thick_rim;
+    } else if (mode == 3) {
+        return (x_core < 1.0 ? x_core*r_minor+thick_rim : r_minor+thick_rim);
+    } else if (mode == 4) {
+        return (x_core > 1.0 ? x_core*r_minor+thick_rim : r_minor+thick_rim);
+    } else if (mode ==5) {
+        return 0.5*length + thick_face;
+    } else {
+        return radius_from_diagonal(r_minor,x_core,thick_rim,thick_face,length);
+    }
 }