Changeset dbddbf5 in sasview for sansmodels

Timestamp:

Jan 4, 2012 5:43:34 PM (13 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:

0c2389e

Parents:

d62f422

Message:

refactored cylinder model

Location:

sansmodels/src

Files:

• c_extensions/cylinder.c (deleted)
• c_extensions/cylinder.h (modified) (2 diffs)
• c_models/cylinder.cpp (modified) (4 diffs)
• c_models/models.hh (modified) (1 diff)
• python_wrapper/CCylinderModel.cpp (modified) (2 diffs)

sansmodels/src/c_extensions/cylinder.h

@@ -1 +1 @@
 #if !defined(cylinder_h)
 #define cylinder_h
+#include "parameters.hh"
+
 /** Structure definition for cylinder parameters
  * [PYTHONCLASS] = CylinderModel
@@ -23 +25 @@
 
  **/
-typedef struct {
-    /// Scale factor
-    //  [DEFAULT]=scale=1.0
-    double scale;
-    /// Radius of the cylinder [A]
-    //  [DEFAULT]=radius=20.0 [A]
-    double radius;
-    /// Length of the cylinder [A]
-    //  [DEFAULT]=length=400.0 [A]
-    double length;
-    /// Contrast [1/A^(2)]
-    //  [DEFAULT]=sldCyl=4.0e-6 [1/A^(2)]
-    double sldCyl;
-    /// sldCyl [1/A^(2)]
-    //  [DEFAULT]=sldSolv=1.0e-6 [1/A^(2)]
-    double sldSolv;
-        /// Incoherent Background [1/cm] 0.00
-        //  [DEFAULT]=background=0.0 [1/cm]
-        double background;
-    /// Orientation of the cylinder axis w/respect incoming beam [deg]
-    //  [DEFAULT]=cyl_theta=60.0 [deg]
-    double cyl_theta;
-    /// Orientation of the cylinder in the plane of the detector [deg]
-    //  [DEFAULT]=cyl_phi=60.0 [deg]
-    double cyl_phi;
+class CylinderModel{
+public:
+  // Model parameters
 
-} CylinderParameters;
+  /// Scale factor
+  //  [DEFAULT]=scale=1.0
+  Parameter scale;
 
+  /// Radius of the cylinder [A]
+  //  [DEFAULT]=radius=20.0 [A]
+  Parameter radius;
 
+  /// Length of the cylinder [A]
+  //  [DEFAULT]=length=400.0 [A]
+  Parameter length;
 
-/// 1D scattering function
-double cylinder_analytical_1D(CylinderParameters *pars, double q);
+  /// Contrast [1/A^(2)]
+  //  [DEFAULT]=sldCyl=4.0e-6 [1/A^(2)]
+  Parameter sldCyl;
 
-/// 2D scattering function
-double cylinder_analytical_2D(CylinderParameters *pars, double q, double phi);
-double cylinder_analytical_2DXY(CylinderParameters *pars, double qx, double qy);
-double cylinder_analytical_2D_scaled(CylinderParameters *pars, double q, double q_x, double q_y);
+  /// sldCyl [1/A^(2)]
+  //  [DEFAULT]=sldSolv=1.0e-6 [1/A^(2)]
+  Parameter sldSolv;
+
+  /// Incoherent Background [1/cm] 0.00
+  //  [DEFAULT]=background=0.0 [1/cm]
+  Parameter background;
+
+  /// Orientation of the cylinder axis w/respect incoming beam [deg]
+  //  [DEFAULT]=cyl_theta=60.0 [deg]
+  Parameter cyl_theta;
+
+  /// Orientation of the cylinder in the plane of the detector [deg]
+  //  [DEFAULT]=cyl_phi=60.0 [deg]
+  Parameter cyl_phi;
+
+  // Constructor
+  CylinderModel();
+
+  // 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);
+};
 
 #endif

sansmodels/src/c_models/cylinder.cpp

@@ -18 +18 @@
  *   sansmodels/src/libigor
  *
- *      TODO: refactor so that we pull in the old sansmodels.c_extensions
  */
 
 #include <math.h>
-#include "models.hh"
 #include "parameters.hh"
 #include <stdio.h>
@@ -32 +30 @@
         #include "cylinder.h"
 }
+
+// Convenience parameter structure
+typedef struct {
+    double scale;
+    double radius;
+    double length;
+    double sldCyl;
+    double sldSolv;
+    double background;
+    double cyl_theta;
+    double cyl_phi;
+} CylinderParameters;
 
 CylinderModel :: CylinderModel() {
@@ -101 +111 @@
 
         return sum/norm + background();
+}
+
+/**
+ * Function to evaluate 2D scattering function
+ * @param pars: parameters of the cylinder
+ * @param q: q-value
+ * @param q_x: q_x / q
+ * @param q_y: q_y / q
+ * @return: function value
+ */
+static double cylinder_analytical_2D_scaled(CylinderParameters *pars, double q, double q_x, double q_y) {
+  double cyl_x, cyl_y, cyl_z;
+  double q_z;
+  double alpha, vol, cos_val;
+  double answer;
+  //convert angle degree to radian
+  double pi = 4.0*atan(1.0);
+  double theta = pars->cyl_theta * pi/180.0;
+  double phi = pars->cyl_phi * pi/180.0;
+
+    // Cylinder orientation
+    cyl_x = sin(theta) * cos(phi);
+    cyl_y = sin(theta) * sin(phi);
+    cyl_z = cos(theta);
+
+    // q vector
+    q_z = 0;
+
+    // Compute the angle btw vector q and the
+    // axis of the cylinder
+    cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z;
+
+    // The following test should always pass
+    if (fabs(cos_val)>1.0) {
+      printf("cyl_ana_2D: Unexpected error: cos(alpha)>1\n");
+      return 0;
+    }
+
+    // Note: cos(alpha) = 0 and 1 will get an
+    // undefined value from CylKernel
+  alpha = acos( cos_val );
+
+  // Call the IGOR library function to get the kernel
+  answer = CylKernel(q, pars->radius, pars->length/2.0, alpha) / sin(alpha);
+
+  // Multiply by contrast^2
+  answer *= (pars->sldCyl - pars->sldSolv)*(pars->sldCyl - pars->sldSolv);
+
+  //normalize by cylinder volume
+  //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vcyl
+    vol = acos(-1.0) * pars->radius * pars->radius * pars->length;
+  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 cylinder
+ * @param q: q-value
+ * @return: function value
+ */
+static double cylinder_analytical_2DXY(CylinderParameters *pars, double qx, double qy) {
+  double q;
+  q = sqrt(qx*qx+qy*qy);
+  return cylinder_analytical_2D_scaled(pars, q, qx/q, qy/q);
 }
 
@@ -254 +339 @@
         return rad_out;
 }
-// Testing code
-int main(void)
-{
-        CylinderModel c = CylinderModel();
-
-        printf("Length = %g\n", c.length());
-        printf("I(Qx=%g,Qy=%g) = %g\n", 0.001, 0.001, c(0.001, 0.001));
-        printf("I(Q=%g) = %g\n", 0.001, c(0.001));
-        c.radius.dispersion = new GaussianDispersion();
-        c.radius.dispersion->npts = 100;
-        c.radius.dispersion->width = 5;
-
-        //c.length.dispersion = GaussianDispersion();
-        //c.length.dispersion.npts = 20;
-        //c.length.dispersion.width = 65;
-
-        printf("I(Q=%g) = %g\n", 0.001, c(0.001));
-        c.scale = 10.0;
-        printf("I(Q=%g) = %g\n", 0.001, c(0.001));
-        printf("I(Qx=%g, Qy=%g) = %g\n", 0.001, 0.001, c(0.001, 0.001));
-        printf("I(Q=%g,  Phi=%g) = %g\n", 0.00447, .7854, c.evaluate_rphi(sqrt(0.00002), .7854));
-
-        // Average over phi at theta=90 deg
-        c.cyl_theta = 1.57;
-        double values_th[100];
-        double values[100];
-        double weights[100];
-        double pi = acos(-1.0);
-        printf("pi=%g\n", pi);
-        for(int i=0; i<100; i++){
-                values[i] = (float)i*2.0*pi/99.0;
-                values_th[i] = (float)i*pi/99.0;
-                weights[i] = 1.0;
-        }
-        //c.radius.dispersion->width = 0;
-        c.cyl_phi.dispersion = new ArrayDispersion();
-        c.cyl_theta.dispersion = new ArrayDispersion();
-        (*c.cyl_phi.dispersion).set_weights(100, values, weights);
-        (*c.cyl_theta.dispersion).set_weights(100, values_th, weights);
-
-        double i_avg = c(0.01, 0.01);
-        double i_1d = c(sqrt(0.0002));
-
-        printf("\nI(Qx=%g, Qy=%g) = %g\n", 0.01, 0.01, i_avg);
-        printf("I(Q=%g)         = %g\n", sqrt(0.0002), i_1d);
-        printf("ratio %g %g\n", i_avg/i_1d, i_1d/i_avg);
-
-
-        return 0;
-}
-

sansmodels/src/c_models/models.hh

@@ -27 +27 @@
 using namespace std;
 
-class CylinderModel{
-public:
-        // Model parameters
-        Parameter radius;
-        Parameter scale;
-        Parameter length;
-        Parameter sldCyl;
-        Parameter sldSolv;
-        Parameter background;
-        Parameter cyl_theta;
-        Parameter cyl_phi;
-
-        // Constructor
-        CylinderModel();
-
-        // 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 CappedCylinderModel{

sansmodels/src/python_wrapper/CCylinderModel.cpp

@@ -18 +18 @@
  *
  * WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
- *          DO NOT MODIFY THIS FILE, MODIFY cylinder.h
+ *          DO NOT MODIFY THIS FILE, MODIFY ../c_extensions/cylinder.h
  *          AND RE-RUN THE GENERATOR SCRIPT
  *
@@ -33 +33 @@
 #include <math.h>
 #include <time.h>
+
+}
+
 #include "cylinder.h"
-}
-
-#include "models.hh"
 #include "dispersion_visitor.hh"