Changeset 2a0b2b1 in sasmodels for sasmodels/models/core_shell_parallelepiped.c

Timestamp:

Apr 14, 2017 6:30:29 AM (7 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

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

Children:

fdd56a1

Parents:

9901384

Message:

restructure all 2D models to work with (qa,qb,qc) = rotate(qx,qy) rather than working with angles directly in preparation for revised jitter algorithm

File:

• sasmodels/models/core_shell_parallelepiped.c (modified) (7 diffs)

sasmodels/models/core_shell_parallelepiped.c

@@ -1 @@
-double form_volume(double length_a, double length_b, double length_c, 
+double form_volume(double length_a, double length_b, double length_c,
                    double thick_rim_a, double thick_rim_b, double thick_rim_c);
 double Iq(double q, double core_sld, double arim_sld, double brim_sld, double crim_sld,
@@ -9 +9 @@
             double thick_rim_c, double theta, double phi, double psi);
 
-double form_volume(double length_a, double length_b, double length_c, 
+double form_volume(double length_a, double length_b, double length_c,
                    double thick_rim_a, double thick_rim_b, double thick_rim_c)
 {
     //return length_a * length_b * length_c;
-    return length_a * length_b * length_c + 
-           2.0 * thick_rim_a * length_b * length_c + 
+    return length_a * length_b * length_c +
+           2.0 * thick_rim_a * length_b * length_c +
            2.0 * thick_rim_b * length_a * length_c +
            2.0 * thick_rim_c * length_a * length_b;
@@ -34 +34 @@
     // Code converted from functions CSPPKernel and CSParallelepiped in libCylinder.c_scaled
     // Did not understand the code completely, it should be rechecked (Miguel Gonzalez)
-    
+
     const double mu = 0.5 * q * length_b;
-    
+
     //calculate volume before rescaling (in original code, but not used)
-    //double vol = form_volume(length_a, length_b, length_c, thick_rim_a, thick_rim_b, thick_rim_c);        
-    //double vol = length_a * length_b * length_c + 
-    //       2.0 * thick_rim_a * length_b * length_c + 
+    //double vol = form_volume(length_a, length_b, length_c, thick_rim_a, thick_rim_b, thick_rim_c);
+    //double vol = length_a * length_b * length_c +
+    //       2.0 * thick_rim_a * length_b * length_c +
     //       2.0 * thick_rim_b * length_a * length_c +
     //       2.0 * thick_rim_c * length_a * length_b;
-    
+
     // Scale sides by B
     const double a_scaled = length_a / length_b;
@@ -101 +101 @@
             //   ( dr0*tmp1*tmp2*tmp3*Vin + drA*(tmpt1-tmp1)*tmp2*tmp3*V1+ drB*tmp1*(tmpt2-tmp2)*tmp3*V2 + drC*tmp1*tmp2*(tmpt3-tmp3)*V3);   //  correct FF : square of sum of phase factors
             // This is the function called by csparallelepiped_analytical_2D_scaled,
-            // while CSParallelepipedModel calls CSParallelepiped in libCylinder.c        
-            
+            // while CSParallelepipedModel calls CSParallelepiped in libCylinder.c
+
             //  correct FF : sum of square of phase factors
             inner_total += Gauss76Wt[j] * form * form;
@@ -136 +136 @@
     double q, zhat, yhat, xhat;
     ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat);
+    const double qa = q*xhat;
+    const double qb = q*yhat;
+    const double qc = q*zhat;
 
     // cspkernel in csparallelepiped recoded here
@@ -160 +163 @@
     double tc = length_a + 2.0*thick_rim_c;
     //handle arg=0 separately, as sin(t)/t -> 1 as t->0
-    double siA = sas_sinx_x(0.5*q*length_a*xhat);
-    double siB = sas_sinx_x(0.5*q*length_b*yhat);
-    double siC = sas_sinx_x(0.5*q*length_c*zhat);
-    double siAt = sas_sinx_x(0.5*q*ta*xhat);
-    double siBt = sas_sinx_x(0.5*q*tb*yhat);
-    double siCt = sas_sinx_x(0.5*q*tc*zhat);
-    
+    double siA = sas_sinx_x(0.5*length_a*qa);
+    double siB = sas_sinx_x(0.5*length_b*qb);
+    double siC = sas_sinx_x(0.5*length_c*qc);
+    double siAt = sas_sinx_x(0.5*ta*qa);
+    double siBt = sas_sinx_x(0.5*tb*qb);
+    double siCt = sas_sinx_x(0.5*tc*qc);
+
 
     // f uses Vin, V1, V2, and V3 and it seems to have more sense than the value computed
@@ -174 +177 @@
                + drB*siA*(siBt-siB)*siC*V2
                + drC*siA*siB*(siCt*siCt-siC)*V3);
-   
+
     return 1.0e-4 * f * f;
 }