Changeset 50beefe in sasmodels for sasmodels/models/bcc_paracrystal.c

Timestamp:

Mar 22, 2017 6:24:42 PM (7 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.

File:

• sasmodels/models/bcc_paracrystal.c (modified) (1 diff)

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;