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

Timestamp:

Aug 14, 2018 12:09:34 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:

86aa992

Parents:

2f8cbb9

Message:

update remaining form factors to use Fq interface

File:

• sasmodels/models/core_shell_parallelepiped.c (modified) (4 diffs)

sasmodels/models/core_shell_parallelepiped.c

@@ -27 +27 @@
 }
 
-static double
-Iq(double q,
+static void
+Fq(double q,
+    double *F1,
+    double *F2,
     double core_sld,
     double arim_sld,
@@ -60 +62 @@
     // outer integral (with gauss points), integration limits = 0, 1
     // substitute d_cos_alpha for sin_alpha d_alpha
-    double outer_sum = 0; //initialize integral
+    double outer_sum_F1 = 0; //initialize integral
+    double outer_sum_F2 = 0; //initialize integral
     for( int i=0; i<GAUSS_N; i++) {
         const double cos_alpha = 0.5 * ( GAUSS_Z[i] + 1.0 );
@@ -69 +72 @@
         // inner integral (with gauss points), integration limits = 0, 1
         // substitute beta = PI/2 u (so 2/PI * d_(PI/2 * beta) = d_beta)
-        double inner_sum = 0.0;
+        double inner_sum_F1 = 0.0;
+        double inner_sum_F2 = 0.0;
         for(int j=0; j<GAUSS_N; j++) {
             const double u = 0.5 * ( GAUSS_Z[j] + 1.0 );
@@ -91 +95 @@
 #endif
 
-            inner_sum += GAUSS_W[j] * f * f;
+            inner_sum_F1 += GAUSS_W[j] * f;
+            inner_sum_F2 += GAUSS_W[j] * f * f;
         }
         // now complete change of inner integration variable (1-0)/(1-(-1))= 0.5
-        inner_sum *= 0.5;
-        // now sum up the outer integral
-        outer_sum += GAUSS_W[i] * inner_sum;
+        // and sum up the outer integral
+        outer_sum_F1 += GAUSS_W[i] * inner_sum_F1 * 0.5;
+        outer_sum_F2 += GAUSS_W[i] * inner_sum_F2 * 0.5;
     }
     // now complete change of outer integration variable (1-0)/(1-(-1))= 0.5
-    outer_sum *= 0.5;
+    outer_sum_F1 *= 0.5;
+    outer_sum_F2 *= 0.5;
 
     //convert from [1e-12 A-1] to [cm-1]
-    return 1.0e-4 * outer_sum;
+    *F1 = 1.0e-2 * outer_sum_F1;
+    *F2 = 1.0e-4 * outer_sum_F2;
 }