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

Timestamp:

Sep 7, 2018 5:29:38 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_parallelepiped.c (modified) (1 diff)

sasmodels/models/core_shell_parallelepiped.c

@@ -25 +25 @@
         2.0 * length_a * length_b * thick_rim_c;
 #endif
+}
+
+static double
+radius_from_volume(double length_a, double length_b, double length_c,
+                   double thick_rim_a, double thick_rim_b, double thick_rim_c)
+{
+    const double volume_paral = form_volume(length_a, length_b, length_c, thick_rim_a, thick_rim_b, thick_rim_c);
+    return cbrt(0.75*volume_paral/M_PI);
+}
+
+static double
+radius_from_crosssection(double length_a, double length_b, double thick_rim_a, double thick_rim_b)
+{
+    const double area_xsec_paral = length_a*length_b + 2.0*thick_rim_a*length_b + 2.0*thick_rim_b*length_a;
+    return sqrt(area_xsec_paral/M_PI);
+}
+
+static double
+effective_radius(int mode, double length_a, double length_b, double length_c,
+                 double thick_rim_a, double thick_rim_b, double thick_rim_c)
+{
+    if (mode == 1) {
+        return radius_from_volume(length_a, length_b, length_c, thick_rim_a, thick_rim_b, thick_rim_c);
+    } else if (mode == 2) {
+        return 0.5 * (length_a + thick_rim_a);
+    } else if (mode == 3) {
+        return 0.5 * (length_b + thick_rim_b);
+    } else if (mode == 4) {
+        return 0.5 * (length_c + thick_rim_c);
+    } else if (mode == 5) {
+        return radius_from_crosssection(length_a, length_b, thick_rim_a, thick_rim_b);
+    } else if (mode == 6) {
+        return 0.5*sqrt(square(length_a+thick_rim_a) + square(length_b+thick_rim_b));
+    } else {
+        return 0.5*sqrt(square(length_a+thick_rim_a) + square(length_b+thick_rim_b) + square(length_c+thick_rim_c));
+    }
 }