Changeset 71b751d in sasmodels for sasmodels/models/barbell.c

Timestamp:

Aug 14, 2018 10:09:34 AM (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:

86aa992

Parents:

2f8cbb9

Message:

update remaining form factors to use Fq interface

File:

• sasmodels/models/barbell.c (modified) (3 diffs)

sasmodels/models/barbell.c

@@ -62 +62 @@
 }
 
-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_bell, double radius, double length)
 {
@@ -72 +72 @@
     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 alpha= GAUSS_Z[i]*zm + zb;
@@ -78 +79 @@
         SINCOS(alpha, sin_alpha, cos_alpha);
         const double Aq = _fq(q*sin_alpha, q*cos_alpha, h, radius_bell, radius, half_length);
-        total += GAUSS_W[i] * Aq * Aq * sin_alpha;
+        total_F1 += GAUSS_W[i] * Aq * sin_alpha;
+        total_F2 += GAUSS_W[i] * Aq * Aq * sin_alpha;
     }
     // 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;
 }
-
 
 static double