Changeset 50beefe in sasmodels

Timestamp:

Mar 22, 2017 8:24:42 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:

b260926

Parents:

61104c8

Message:

paracrystal: adjust to new asymmetric orientation definition. Refs #890.

Location:

sasmodels/models

Files:

• bcc_paracrystal.c (modified) (1 diff)
• fcc_paracrystal.c (modified) (1 diff)
• sc_paracrystal.c (modified) (2 diffs)

sasmodels/models/bcc_paracrystal.c

@@ -90 +90 @@
     double theta, double phi, double psi)
 {
-    double q, cos_a1, cos_a2, cos_a3;
-    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_a3, cos_a2, cos_a1);
+    double q, zhat, yhat, xhat;
+    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat);
 
-    const double a1 = +cos_a3 - cos_a1 + cos_a2;
-    const double a2 = +cos_a3 + cos_a1 - cos_a2;
-    const double a3 = -cos_a3 + cos_a1 + cos_a2;
+    const double a1 = +xhat - zhat + yhat;
+    const double a2 = +xhat + zhat - yhat;
+    const double a3 = -xhat + zhat + yhat;
 
     const double qd = 0.5*q*dnn;

sasmodels/models/fcc_paracrystal.c

@@ -90 +90 @@
     double theta, double phi, double psi)
 {
-    double q, cos_a1, cos_a2, cos_a3;
-    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_a3, cos_a2, cos_a1);
+    double q, zhat, yhat, xhat;
+    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat);
 
-    const double a1 = cos_a2 + cos_a3;
-    const double a2 = cos_a3 + cos_a1;
-    const double a3 = cos_a2 + cos_a1;
+    const double a1 = yhat + xhat;
+    const double a2 = xhat + zhat;
+    const double a3 = yhat + zhat;
     const double qd = 0.5*q*dnn;
     const double arg = 0.5*square(qd*d_factor)*(a1*a1 + a2*a2 + a3*a3);

sasmodels/models/sc_paracrystal.c

@@ -111 +111 @@
           double psi)
 {
-    double q, cos_a1, cos_a2, cos_a3;
-    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_a3, cos_a2, cos_a1);
+    double q, zhat, yhat, xhat;
+    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat);
 
     const double qd = q*dnn;
@@ -118 +118 @@
     const double tanh_qd = tanh(arg);
     const double cosh_qd = cosh(arg);
-    const double Zq = tanh_qd/(1. - cos(qd*cos_a1)/cosh_qd)
-                    * tanh_qd/(1. - cos(qd*cos_a2)/cosh_qd)
-                    * tanh_qd/(1. - cos(qd*cos_a3)/cosh_qd);
+    const double Zq = tanh_qd/(1. - cos(qd*zhat)/cosh_qd)
+                    * tanh_qd/(1. - cos(qd*yhat)/cosh_qd)
+                    * tanh_qd/(1. - cos(qd*xhat)/cosh_qd);
 
     const double Fq = sphere_form(q, radius, sphere_sld, solvent_sld)*Zq;