Changeset 0706431 in sasmodels

Timestamp:

Feb 17, 2015 5:34:10 PM (10 years ago)

Author:

ajj

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

c95dc908

Parents:

1e11735

Message:

Fixed barbell model - now giving same result as sasview model

Location:

sasmodels/models

Files:

• barbell.c (modified) (5 diffs)
• barbell.py (modified) (1 diff)

sasmodels/models/barbell.c

@@ -21 +21 @@
         const double be = (arg2 == 0.0 ? 0.5 :J1(arg2)/arg2);
 
-            double Fq = cos(arg1)*(1.0-t*t)*be;
+            const double Fq = cos(arg1)*(1.0-t*t)*be;
 
             total += Gauss76Wt[i] * Fq;
@@ -36 +36 @@
     // bell radius should never be less than radius when this is called
     const double hdist = sqrt(bell_radius*bell_radius - radius*radius);
-    const double p1 = 2*bell_radius*bell_radius*bell_radius/3.0;
+    const double p1 = 2.0*bell_radius*bell_radius*bell_radius/3.0;
     const double p2 = bell_radius*bell_radius*hdist;
     const double p3 = hdist*hdist*hdist/3.0;
 
-    return M_PI*radius*radius*length + 2.0*M_PI*(p1+p2+p3);
+    return M_PI*radius*radius*length + 2.0*M_PI*(p1+p2-p3);
 }
 
@@ -55 +55 @@
     const double lower = 0.0;
     const double upper = M_PI_2;
-    const double h = sqrt(fabs(bell_radius*bell_radius-radius*radius));
+    const double h = sqrt(bell_radius*bell_radius-radius*radius);
     double total = 0.0;
     for (int i = 0; i < 76; i++){
@@ -78 +78 @@
     //Contrast and volume normalization
     const double s = (sld - solvent_sld);
-    return form*1.0e-4*s*s;
+    return form*1.0e-4*s*s; //form_volume(bell_radius,radius,length);
 }
 
@@ -102 +102 @@
     // # right, so we are leaving it out for now.
     const double q = sqrt(qx*qx+qy*qy);
-    const double cos_val = cn*cos(phi*M_PI_180)*(qx/q) + sn*(qy/q);
+    const double cos_val = cn*cos(phi*M_PI_180)*qx + sn*qy;
     const double alpha = acos(cos_val); // rod angle relative to q
     SINCOS(alpha, sn, cn);
 
     const double h = sqrt(bell_radius*bell_radius - radius*radius); // negative h
-    const double bell_Fq = _bell_kernel(q, h, bell_radius, length, sn, cn);
+    const double bell_Fq = _bell_kernel(q, h, bell_radius, length, sn, cn)/sn;
 
     const double besarg = q*radius*sn;

sasmodels/models/barbell.py

@@ -145 +145 @@
     bell_radius = 40, radius=20, length=400,
     theta=60, phi=60,
-    radius_pd=.2, radius_pd_n=0,
-    length_pd=.2,length_pd_n=0,
+    radius_pd=.2, radius_pd_n=5,
+    length_pd=.2,length_pd_n=5,
     theta_pd=15, theta_pd_n=0,
     phi_pd=15, phi_pd_n=0,