Changeset 5bddd89 in sasmodels for sasmodels/models/hollow_cylinder.c

Timestamp:

Oct 14, 2016 4:05:39 PM (8 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:

9068f4c

Parents:

0b717c5

Message:

use ORIENT macro for remaining symmetric models

File:

• sasmodels/models/hollow_cylinder.c (modified) (4 diffs)

sasmodels/models/hollow_cylinder.c

@@ -1 +1 @@
 double form_volume(double radius, double thickness, double length);
-
 double Iq(double q, double radius, double thickness, double length, double sld,
         double solvent_sld);
@@ -9 +8 @@
 
 // From Igor library
-static double hollow_cylinder_scaling(
-    double integrand, double delrho, double volume)
+static double
+_hollow_cylinder_scaling(double integrand, double delrho, double volume)
 {
-    double answer;
-    // Multiply by contrast^2
-    answer = integrand*delrho*delrho;
-
-    //normalize by cylinder volume
-    answer *= volume*volume;
-
-    //convert to [cm-1]
-    answer *= 1.0e-4;
-
-    return answer;
+    return 1.0e-4 * square(volume * delrho * integrand);
 }
 
 
-static double _hollow_cylinder_kernel(
-    double q, double radius, double thickness, double length, double dum)
+static double
+_hollow_cylinder_kernel(double q,
+    double radius, double thickness, double length, double sin_val, double cos_val)
 {
-    const double qs = q*sqrt(1.0-dum*dum);
+    const double qs = q*sin_val;
     const double lam1 = sas_J1c((radius+thickness)*qs);
     const double lam2 = sas_J1c(radius*qs);
@@ -35 +25 @@
     //Note: lim_{r -> r_c} psi = J0(radius_core*qs)
     const double psi = (lam1 - gamma_sq*lam2)/(1.0 - gamma_sq); //SRK 10/19/00
-    const double t2 = sinc(q*length*dum/2.0);
-    return square(psi*t2);
+    const double t2 = sinc(0.5*q*length*cos_val);
+    return psi*t2;
 }
 
-
-static double hollow_cylinder_analytical_2D_scaled(
-    double q, double q_x, double q_y, double radius, double thickness,
-    double length, double sld, double solvent_sld, double theta, double phi)
-{
-    double cyl_x, cyl_y; //, cyl_z
-    //double q_z;
-    double vol, cos_val, delrho;
-    double answer;
-    //convert angle degree to radian
-    theta = theta * M_PI_180;
-    phi = phi * M_PI_180;
-    delrho = solvent_sld - sld;
-
-    // Cylinder orientation
-    cyl_x = sin(theta) * cos(phi);
-    cyl_y = sin(theta) * sin(phi);
-    //cyl_z = -cos(theta) * sin(phi);
-
-    // 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;
-
-    answer = _hollow_cylinder_kernel(q, radius, thickness, length, cos_val);
-
-    vol = form_volume(radius, thickness, length);
-    answer = hollow_cylinder_scaling(answer, delrho, vol);
-
-    return answer;
-}
-
-
-double form_volume(double radius, double thickness, double length)
+double
+form_volume(double radius, double thickness, double length)
 {
     double v_shell = M_PI*length*((radius+thickness)*(radius+thickness)-radius*radius);
@@ -81 +37 @@
 
 
-double Iq(double q, double radius, double thickness, double length,
+double
+Iq(double q, double radius, double thickness, double length,
     double sld, double solvent_sld)
 {
-    int i;
-    double lower,upper,zi, inter;               //upper and lower integration limits
-    double summ,answer,delrho;                  //running tally of integration
-    double norm,volume; //final calculation variables
+    const double lower = 0.0;
+    const double upper = 1.0;           //limits of numerical integral
 
-    lower = 0.0;
-    upper = 1.0;                //limits of numerical integral
-
-    summ = 0.0;                 //initialize intergral
-    for (i=0;i<76;i++) {
-        zi = ( Gauss76Z[i] * (upper-lower) + lower + upper )/2.0;
-        inter = Gauss76Wt[i] * _hollow_cylinder_kernel(q, radius, thickness, length, zi);
-        summ += inter;
+    double summ = 0.0;                  //initialize intergral
+    for (int i=0;i<76;i++) {
+        const double cos_val = 0.5*( Gauss76Z[i] * (upper-lower) + lower + upper );
+        const double sin_val = sqrt(1.0 - cos_val*cos_val);
+        const double inter = _hollow_cylinder_kernel(q, radius, thickness, length,
+                                                     sin_val, cos_val);
+        summ += Gauss76Wt[i] * inter;
     }
 
-    norm = summ*(upper-lower)/2.0;
-    volume = form_volume(radius, thickness, length);
-    delrho = solvent_sld - sld;
-    answer = hollow_cylinder_scaling(norm, delrho, volume);
+    const double Aq = 0.5*summ*(upper-lower);
+    const double volume = form_volume(radius, thickness, length);
+    return _hollow_cylinder_scaling(Aq, solvent_sld - sld, volume);
+}
 
-    return(answer);
+double
+Iqxy(double qx, double qy,
+    double radius, double thickness, double length,
+    double sld, double solvent_sld, double theta, double phi)
+{
+    double q, sin_alpha, cos_alpha;
+    ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha);
+    const double Aq = _hollow_cylinder_kernel(q, radius, thickness, length,
+        sin_alpha, cos_alpha);
+
+    const double vol = form_volume(radius, thickness, length);
+    return _hollow_cylinder_scaling(Aq, solvent_sld-sld, vol);
 }
 
 
-double Iqxy(double qx, double qy, double radius, double thickness,
-    double length, double sld, double solvent_sld, double theta, double phi)
-{
-    const double q = sqrt(qx*qx+qy*qy);
-    return hollow_cylinder_analytical_2D_scaled(q, qx/q, qy/q, radius, thickness, length, sld, solvent_sld, theta, phi);
-}