Changeset 8343e18 in sasview for sansmodels/src/c_models

Timestamp:

Jan 4, 2012 6:16:15 PM (12 years ago)

Author:

Mathieu Doucet <doucetm@…>

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:

df88829

Parents:

0c2389e

Message:

refactored parallelepiped

Location:

sansmodels/src/c_models

Files:

• models.hh (modified) (1 diff)
• parallelepiped.cpp (modified) (2 diffs)

sansmodels/src/c_models/models.hh

@@ -26 +26 @@
 
 using namespace std;
-
-
-
-class ParallelepipedModel{
-public:
-        // Model parameters
-        Parameter scale;
-        Parameter short_a;
-        Parameter short_b;
-        Parameter long_c;
-        Parameter sldPipe;
-        Parameter sldSolv;
-        Parameter background;
-        Parameter parallel_theta;
-        Parameter parallel_phi;
-        Parameter parallel_psi;
-
-        // Constructor
-        ParallelepipedModel();
-
-        // Operators to get I(Q)
-        double operator()(double q);
-        double operator()(double qx, double qy);
-        double calculate_ER();
-        double evaluate_rphi(double q, double phi);
-};
-
 
 class CSParallelepipedModel{

sansmodels/src/c_models/parallelepiped.cpp

@@ -18 +18 @@
  *   sansmodels/src/libigor
  *
- *      TODO: refactor so that we pull in the old sansmodels.c_extensions
  *      TODO: add 2D function
  */
@@ -31 +30 @@
         #include "libCylinder.h"
         #include "libStructureFactor.h"
-        #include "parallelepiped.h"
+}
+#include "parallelepiped.h"
+
+// Convenience parameter structure
+typedef struct {
+    double scale;
+    double short_a;
+    double short_b;
+    double long_c;
+    double sldPipe;
+    double sldSolv;
+    double background;
+    double parallel_theta;
+    double parallel_phi;
+    double parallel_psi;
+} ParallelepipedParameters;
+
+
+static double pkernel(double a, double b,double c, double ala, double alb, double alc){
+    // mu passed in is really mu*sqrt(1-sig^2)
+    double argA,argB,argC,tmp1,tmp2,tmp3;     //local variables
+
+    //handle arg=0 separately, as sin(t)/t -> 1 as t->0
+    argA = a*ala/2.0;
+    argB = b*alb/2.0;
+    argC = c*alc/2.0;
+    if(argA==0.0) {
+    tmp1 = 1.0;
+  } else {
+    tmp1 = sin(argA)*sin(argA)/argA/argA;
+    }
+    if (argB==0.0) {
+    tmp2 = 1.0;
+  } else {
+    tmp2 = sin(argB)*sin(argB)/argB/argB;
+    }
+
+    if (argC==0.0) {
+    tmp3 = 1.0;
+  } else {
+    tmp3 = sin(argC)*sin(argC)/argC/argC;
+    }
+
+    return (tmp1*tmp2*tmp3);
+
+}
+
+/**
+ * Function to evaluate 2D scattering function
+ * @param pars: parameters of the parallelepiped
+ * @param q: q-value
+ * @param q_x: q_x / q
+ * @param q_y: q_y / q
+ * @return: function value
+ */
+static double parallelepiped_analytical_2D_scaled(ParallelepipedParameters *pars, double q, double q_x, double q_y) {
+  double cparallel_x, cparallel_y, cparallel_z, bparallel_x, bparallel_y, parallel_x, parallel_y;
+  double q_z;
+  double alpha, vol, cos_val_c, cos_val_b, cos_val_a, edgeA, edgeB, edgeC;
+
+  double answer;
+  double pi = 4.0*atan(1.0);
+
+  //convert angle degree to radian
+  double theta = pars->parallel_theta * pi/180.0;
+  double phi = pars->parallel_phi * pi/180.0;
+  double psi = pars->parallel_psi * pi/180.0;
+
+  edgeA = pars->short_a;
+  edgeB = pars->short_b;
+  edgeC = pars->long_c;
+
+
+    // parallelepiped c axis orientation
+    cparallel_x = sin(theta) * cos(phi);
+    cparallel_y = sin(theta) * sin(phi);
+    cparallel_z = cos(theta);
+
+    // q vector
+    q_z = 0.0;
+
+    // Compute the angle btw vector q and the
+    // axis of the parallelepiped
+    cos_val_c = cparallel_x*q_x + cparallel_y*q_y + cparallel_z*q_z;
+    alpha = acos(cos_val_c);
+
+    // parallelepiped a axis orientation
+    parallel_x = sin(psi);//cos(pars->parallel_theta) * sin(pars->parallel_phi)*sin(pars->parallel_psi);
+    parallel_y = cos(psi);//cos(pars->parallel_theta) * cos(pars->parallel_phi)*cos(pars->parallel_psi);
+
+    cos_val_a = parallel_x*q_x + parallel_y*q_y;
+
+
+
+    // parallelepiped b axis orientation
+    bparallel_x = sqrt(1.0-sin(theta)*cos(phi))*cos(psi);//cos(pars->parallel_theta) * cos(pars->parallel_phi)* cos(pars->parallel_psi);
+    bparallel_y = sqrt(1.0-sin(theta)*cos(phi))*sin(psi);//cos(pars->parallel_theta) * sin(pars->parallel_phi)* sin(pars->parallel_psi);
+    // axis of the parallelepiped
+    cos_val_b = sin(acos(cos_val_a)) ;
+
+
+
+    // The following test should always pass
+    if (fabs(cos_val_c)>1.0) {
+      printf("parallel_ana_2D: Unexpected error: cos(alpha)>1\n");
+      return 0;
+    }
+
+  // Call the IGOR library function to get the kernel
+  answer = pkernel( q*edgeA, q*edgeB, q*edgeC, sin(alpha)*cos_val_a,sin(alpha)*cos_val_b,cos_val_c);
+
+  // Multiply by contrast^2
+  answer *= (pars->sldPipe - pars->sldSolv) * (pars->sldPipe - pars->sldSolv);
+
+  //normalize by cylinder volume
+  //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vparallel
+    vol = edgeA* edgeB * edgeC;
+  answer *= vol;
+
+  //convert to [cm-1]
+  answer *= 1.0e8;
+
+  //Scale
+  answer *= pars->scale;
+
+  // add in the background
+  answer += pars->background;
+
+  return answer;
+}
+
+/**
+ * Function to evaluate 2D scattering function
+ * @param pars: parameters of the parallelepiped
+ * @param q: q-value
+ * @return: function value
+ */
+static double parallelepiped_analytical_2DXY(ParallelepipedParameters *pars, double qx, double qy) {
+  double q;
+  q = sqrt(qx*qx+qy*qy);
+    return parallelepiped_analytical_2D_scaled(pars, q, qx/q, qy/q);
 }