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

Timestamp:

Nov 6, 2018 4:10:43 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/barbell.c (modified) (2 diffs)

sasmodels/models/barbell.c

@@ -63 +63 @@
 
 static double
+radius_from_excluded_volume(double radius_bell, double radius, double length)
+{
+    const double hdist = sqrt(square(radius_bell) - square(radius));
+    const double length_tot = length + 2.0*(hdist+ radius);
+    return 0.5*cbrt(0.75*radius_bell*(2.0*radius_bell*length_tot + (radius_bell + length_tot)*(M_PI*radius_bell + length_tot)));
+}
+
+static double
 radius_from_volume(double radius_bell, double radius, double length)
 {
@@ -81 +89 @@
     switch (mode) {
     default:
-    case 1: // equivalent sphere
+    case 1: // equivalent cylinder excluded volume
+        return radius_from_excluded_volume(radius_bell, radius , length);
+    case 2: // equivalent volume sphere
         return radius_from_volume(radius_bell, radius , length);
-    case 2: // radius
+    case 3: // radius
         return radius;
-    case 3: // half length
+    case 4: // half length
         return 0.5*length;
-    case 4: // half total length
+    case 5: // half total length
         return radius_from_totallength(radius_bell,radius,length);
     }