Changeset 86aa992 in sasmodels for sasmodels/models/core_shell_bicelle.c

Timestamp:

Aug 14, 2018 12:09:49 PM (6 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

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

Children:

6d90684

Parents:

71b751d (diff), d089a00 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'master' into beta_approx

File:

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

sasmodels/models/core_shell_bicelle.c

@@ -36 +36 @@
 }
 
-static double
-Iq(double q,
+static void
+Fq(double q,
+    double *F1,
+    double *F2,
     double radius,
     double thick_radius,
@@ -51 +53 @@
     const double halflength = 0.5*length;
 
-    double total = 0.0;
+    double total_F1 = 0.0;
+    double total_F2 = 0.0;
     for(int i=0;i<GAUSS_N;i++) {
         double theta = (GAUSS_Z[i] + 1.0)*uplim;
         double sin_theta, cos_theta; // slots to hold sincos function output
         SINCOS(theta, sin_theta, cos_theta);
-        double fq = bicelle_kernel(q*sin_theta, q*cos_theta, radius, thick_radius, thick_face,
+        double form = bicelle_kernel(q*sin_theta, q*cos_theta, radius, thick_radius, thick_face,
                                    halflength, sld_core, sld_face, sld_rim, sld_solvent);
-        total += GAUSS_W[i]*fq*fq*sin_theta;
+        total_F1 += GAUSS_W[i]*form*sin_theta;
+        total_F2 += GAUSS_W[i]*form*form*sin_theta;
     }
+    // Correct for integration range
+    total_F1 *= uplim;
+    total_F2 *= uplim;
 
-    // calculate value of integral to return
-    double answer = total*uplim;
-    return 1.0e-4*answer;
+    *F1 = 1.0e-2*total_F1;
+    *F2 = 1.0e-4*total_F2;
 }