Changeset f4f85b3 in sasmodels

Timestamp:

Mar 22, 2017 9:31:01 PM (8 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

d605080

Parents:

b260926

Message:

core shell bicelle elliptical: adapt to new orientation parameters; adjust effective shell radius in 2D model so it matches core shell bicelle when axis ratio is 1

File:

• sasmodels/models/core_shell_bicelle_elliptical.c (modified) (5 diffs)

sasmodels/models/core_shell_bicelle_elliptical.c

@@ -32 +32 @@
 }
 
-double 
-                Iq(double qq,
-                   double rad,
-                   double x_core,
-                   double radthick,
-                   double facthick,
-                   double length,
-                   double rhoc,
-                   double rhoh,
-                   double rhor,
-                   double rhosolv)
+double Iq(double q,
+          double rad,
+          double x_core,
+          double radthick,
+          double facthick,
+          double length,
+          double rhoc,
+          double rhoh,
+          double rhor,
+          double rhosolv)
 {
     double si1,si2,be1,be2;
@@ -74 +73 @@
         const double sin_alpha = sqrt(1.0 - cos_alpha*cos_alpha);
         double inner_sum=0;
-        double sinarg1 = qq*halfheight*cos_alpha;
-        double sinarg2 = qq*(halfheight+facthick)*cos_alpha;
+        double sinarg1 = q*halfheight*cos_alpha;
+        double sinarg2 = q*(halfheight+facthick)*cos_alpha;
         si1 = sas_sinx_x(sinarg1);
         si2 = sas_sinx_x(sinarg2);
@@ -83 +82 @@
             const double beta = ( Gauss76Z[j] +1.0)*M_PI_2;
             const double rr = sqrt(rA - rB*cos(beta));
-            double besarg1 = qq*rr*sin_alpha;
-            double besarg2 = qq*(rr+radthick)*sin_alpha;
+            double besarg1 = q*rr*sin_alpha;
+            double besarg2 = q*(rr+radthick)*sin_alpha;
             be1 = sas_2J1x_x(besarg1);
             be2 = sas_2J1x_x(besarg2);
@@ -114 +113 @@
 {
        // THIS NEEDS TESTING
-    double qq, cos_val, cos_mu, cos_nu;
-    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, qq, cos_val, cos_mu, cos_nu);
+    double q, xhat, yhat, zhat;
+    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat);
     const double dr1 = rhoc-rhoh;
     const double dr2 = rhor-rhosolv;
@@ -125 +124 @@
     const double vol3 = M_PI*rad*radius_major*2.0*(halfheight+facthick);
 
-    // Compute:  r = sqrt((radius_major*cos_nu)^2 + (radius_minor*cos_mu)^2)
+    // Compute:  r = sqrt((radius_major*zhat)^2 + (radius_minor*yhat)^2)
     // Given:    radius_major = r_ratio * radius_minor  
     // ASSUME the sin_alpha is included in the separate integration over orientation of rod angle
-    const double r = rad*sqrt(square(x_core*cos_nu) + cos_mu*cos_mu);
-    const double be1 = sas_2J1x_x( qq*r );
-    const double be2 = sas_2J1x_x( qq*(r + radthick ) );
-    const double si1 = sas_sinx_x( qq*halfheight*cos_val );
-    const double si2 = sas_sinx_x( qq*(halfheight + facthick)*cos_val );
+    const double rad_minor = rad;
+    const double rad_major = rad*x_core;
+    const double r_hat = sqrt(square(rad_major*xhat) + square(rad_minor*yhat));
+    const double rshell_hat = sqrt(square((rad_major+radthick)*xhat)
+                                   + square((rad_minor+radthick)*yhat));
+    const double be1 = sas_2J1x_x( q*r_hat );
+    const double be2 = sas_2J1x_x( q*rshell_hat );
+    const double si1 = sas_sinx_x( q*halfheight*zhat );
+    const double si2 = sas_sinx_x( q*(halfheight + facthick)*zhat );
     const double Aq = square( vol1*dr1*si1*be1 + vol2*dr2*si2*be2 +  vol3*dr3*si2*be1);
     //const double vol = form_volume(radius_minor, r_ratio, length);