Changeset 86aa992 in sasmodels for sasmodels/models/capped_cylinder.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/capped_cylinder.c (modified) (3 diffs)

sasmodels/models/capped_cylinder.c

@@ -84 +84 @@
 }
 
-static double
-Iq(double q, double sld, double solvent_sld,
+static void
+Fq(double q,double *F1, double *F2, double sld, double solvent_sld,
     double radius, double radius_cap, double length)
 {
@@ -94 +94 @@
     const double zm = M_PI_4;
     const double zb = M_PI_4;
-    double total = 0.0;
+    double total_F1 = 0.0;
+    double total_F2 = 0.0;
     for (int i=0; i<GAUSS_N ;i++) {
         const double theta = GAUSS_Z[i]*zm + zb;
@@ -103 +104 @@
         const double Aq = _fq(qab, qc, h, radius_cap, radius, half_length);
         // scale by sin_theta for spherical coord integration
-        total += GAUSS_W[i] * Aq * Aq * sin_theta;
+        total_F1 += GAUSS_W[i] * Aq * sin_theta;
+        total_F2 += GAUSS_W[i] * Aq * Aq * sin_theta;
     }
     // translate dx in [-1,1] to dx in [lower,upper]
-    const double form = total * zm;
+    const double form_avg = total_F1 * zm;
+    const double form_squared_avg = total_F2 * zm;
 
     // Contrast
     const double s = (sld - solvent_sld);
-    return 1.0e-4 * s * s * form;
+    *F1 = 1.0e-2 * s * form_avg;
+    *F2 = 1.0e-4 * s * s * form_squared_avg;
 }