Changeset 85bb870 in sasview for sansmodels/src/sans/models/c_extensions/fcc.c

Timestamp:

Oct 20, 2010 3:49:53 PM (14 years ago)

Author:

Jae Cho <jhjcho@…>

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

f118fe2f

Parents:

4ddb7a4

Message:

minor correcions of orientational order,etc

File:

• sansmodels/src/sans/models/c_extensions/fcc.c (modified) (2 diffs)

sansmodels/src/sans/models/c_extensions/fcc.c

@@ -61 +61 @@
         double b3_x, b3_y, b3_z, b2_x, b2_y, b1_x, b1_y;
         double q_z;
-        double alpha, vol, cos_val_a3, cos_val_a2, cos_val_a1;
+        double alpha, vol, cos_val_b3, cos_val_b2, cos_val_b1, cos_val_a3, cos_val_a2, cos_val_a1;
         double a1_dot_q, a2_dot_q,a3_dot_q;
         double answer;
@@ -80 +80 @@
 
         latticeScale = 4.0*(4.0/3.0)*Pi*(dp[1]*dp[1]*dp[1])/pow(aa*sqrt(2.0),3.0);
-
+        // q vector
+        q_z = 0.0; // for SANS; assuming qz is negligible
         /// Angles here are respect to detector coordinate
-        ///  instead of against q coordinate(PRB 36(46), 3(6), 1754(3854))
+        ///  instead of against q coordinate in PRB 36(46), 3(6), 1754(3854)
     // b3 axis orientation
     b3_x = sin(pars->theta) * cos(pars->phi);//negative sign here???
     b3_y = sin(pars->theta) * sin(pars->phi);
     b3_z = cos(pars->theta);
+    cos_val_b3 =  b3_x*q_x + b3_y*q_y + b3_z*q_z;
+    alpha = acos(cos_val_b3);
     // b1 axis orientation
     b1_x = sin(pars->psi);
     b1_y = cos(pars->psi);
+        cos_val_b1 = (b1_x*q_x + b1_y*q_y);
     // b2 axis orientation
-    b2_x = sqrt(1.0-sin(pars->theta)*cos(pars->phi))*cos(pars->psi);
-    b2_y = sqrt(1.0-sin(pars->theta)*cos(pars->phi))*sin(pars->psi);
-
-    // a3 axis orientation
-    a3_x = 0.5*(b2_x + b1_x);
-    a3_y = 0.5*(b2_y + b1_y);
-    a3_z = 0.0;
-    // a1 axis orientation
-    a1_x = 0.5*(b3_x + b2_x);
-    a1_y = 0.5*(b3_y + b2_y);
-    // a2 axis orientation
-    a2_x = 0.5*(b3_x + b1_x);
-    a2_y = 0.5*(b3_y + b1_y);
-
-    // q vector
-    q_z = 0.0; // for SANS; assuming qz is negligible
+        cos_val_b2 = sin(acos(cos_val_b1));
+        // alpha correction
+        cos_val_b2 *= sin(alpha);
+        cos_val_b1 *= sin(alpha);
 
     // Compute the angle btw vector q and the a3 axis
-    cos_val_a3 = a3_x*q_x + a3_y*q_y + a3_z*q_z;
-    alpha = acos(cos_val_a3);
-    a3_dot_q = aa*q*cos_val_a3;
+    a3_dot_q = 0.5*aa*q*(cos_val_b2+cos_val_b1);
 
     // a1 axis
-    cos_val_a1 = a1_x*q_x + a1_y*q_y;
-    a1_dot_q = aa*q*cos_val_a1*sin(alpha);
+    a1_dot_q = 0.5*aa*q*(cos_val_b2+cos_val_b3);
 
     // a2 axis
-    cos_val_a2 = sin(acos(cos_val_a1));//a2_x*q_x + a2_y*q_y;
-    a2_dot_q = aa*q*cos_val_a2*sin(alpha);
+    a2_dot_q = 0.5*aa*q*(cos_val_b3+cos_val_b1);
 
     // The following test should always pass
-    if (fabs(cos_val_a3)>1.0) {
-        printf("parallel_ana_2D: Unexpected error: cos(alpha)>1\n");
+    if (fabs(cos_val_b3)>1.0) {
+        printf("fcc_ana_2D: Unexpected error: cos(alpha)>1\n");
         return 0;
     }