Changes in sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c [82592da:74768cb] in sasmodels

File:

• sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c (modified) (6 diffs)

sasmodels/models/core_shell_bicelle_elliptical_belt_rough.c

@@ -7 +7 @@
         double length)
 {
-    return M_PI*(  (r_minor + thick_rim)*(r_minor*x_core + thick_rim)* length + 
+    return M_PI*(  (r_minor + thick_rim)*(r_minor*x_core + thick_rim)* length +
                  square(r_minor)*x_core*2.0*thick_face  );
 }
@@ -47 +47 @@
     //initialize integral
     double outer_sum = 0.0;
-    for(int i=0;i<76;i++) {
+    for(int i=0;i<GAUSS_N;i++) {
         //setup inner integral over the ellipsoidal cross-section
         // since we generate these lots of times, why not store them somewhere?
-        //const double cos_alpha = ( Gauss76Z[i]*(vb-va) + va + vb )/2.0;
-        const double cos_alpha = ( Gauss76Z[i] + 1.0 )/2.0;
+        //const double cos_alpha = ( GAUSS_Z[i]*(vb-va) + va + vb )/2.0;
+        const double cos_alpha = ( GAUSS_Z[i] + 1.0 )/2.0;
         const double sin_alpha = sqrt(1.0 - cos_alpha*cos_alpha);
         double inner_sum=0;
@@ -58 +58 @@
         si1 = sas_sinx_x(sinarg1);
         si2 = sas_sinx_x(sinarg2);
-        for(int j=0;j<76;j++) {
+        for(int j=0;j<GAUSS_N;j++) {
             //76 gauss points for the inner integral (WAS 20 points,so this may make unecessarily slow, but playing safe)
-            //const double beta = ( Gauss76Z[j]*(vbj-vaj) + vaj + vbj )/2.0;
-            const double beta = ( Gauss76Z[j] +1.0)*M_PI_2;
+            //const double beta = ( GAUSS_Z[j]*(vbj-vaj) + vaj + vbj )/2.0;
+            const double beta = ( GAUSS_Z[j] +1.0)*M_PI_2;
             const double rr = sqrt(r2A - r2B*cos(beta));
             double besarg1 = q*rr*sin_alpha;
@@ -67 +67 @@
             be1 = sas_2J1x_x(besarg1);
             be2 = sas_2J1x_x(besarg2);
-            inner_sum += Gauss76Wt[j] *square(dr1*si1*be1 +
+            inner_sum += GAUSS_W[j] *square(dr1*si1*be1 +
                                               dr2*si1*be2 +
                                               dr3*si2*be1);
         }
         //now calculate outer integral
-        outer_sum += Gauss76Wt[i] * inner_sum;
+        outer_sum += GAUSS_W[i] * inner_sum;
     }
 
@@ -91 +91 @@
           double sigma)
 {
-    // integrated 2d seems to match 1d reasonably well, except perhaps at very high Q
+    // THIS NEEDS TESTING
     // Vol1,2,3 and dr1,2,3 are now for Vcore, Vcore+rim, Vcore+face,
     const double dr1 = -rhor - rhoh + rhoc + rhosolv;
@@ -103 +103 @@
 
     // Compute effective radius in rotated coordinates
-    const double qr_hat = sqrt(square(r_major*qb) + square(r_minor*qa));
+    const double qr_hat = sqrt(square(r_major*qa) + square(r_minor*qb));
     // does this need to be changed for the "missing corners" where there there is no "belt" ?
-    const double qrshell_hat = sqrt(square((r_major+thick_rim)*qb)
-                                   + square((r_minor+thick_rim)*qa));
+    const double qrshell_hat = sqrt(square((r_major+thick_rim)*qa)
+                                   + square((r_minor+thick_rim)*qb));
     const double be1 = sas_2J1x_x( qr_hat );
     const double be2 = sas_2J1x_x( qrshell_hat );