Changeset 71b751d in sasmodels for sasmodels/models/hollow_cylinder.c

Timestamp:

Aug 14, 2018 10:09:34 AM (6 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:

86aa992

Parents:

2f8cbb9

Message:

update remaining form factors to use Fq interface

File:

• sasmodels/models/hollow_cylinder.c (modified) (5 diffs)

sasmodels/models/hollow_cylinder.c

@@ -1 +1 @@
 //#define INVALID(v) (v.radius_core >= v.radius)
-
-// From Igor library
-static double
-_hollow_cylinder_scaling(double integrand, double delrho, double volume)
-{
-    return 1.0e-4 * square(volume * delrho) * integrand;
-}
 
 static double
@@ -30 +23 @@
 
 
-static double
-Iq(double q, double radius, double thickness, double length,
+static void
+Fq(double q, double *F1, double *F2, double radius, double thickness, double length,
     double sld, double solvent_sld)
 {
@@ -37 +30 @@
     const double upper = 1.0;        //limits of numerical integral
 
-    double summ = 0.0;            //initialize intergral
+    double total_F1 = 0.0;            //initialize intergral
+    double total_F2 = 0.0;
     for (int i=0;i<GAUSS_N;i++) {
         const double cos_theta = 0.5*( GAUSS_Z[i] * (upper-lower) + lower + upper );
@@ -43 +37 @@
         const double form = _fq(q*sin_theta, q*cos_theta,
                                 radius, thickness, length);
-        summ += GAUSS_W[i] * form * form;
+        total_F1 += GAUSS_W[i] * form;
+        total_F2 += GAUSS_W[i] * form * form;
     }
+    total_F1 *= 0.5*(upper-lower);
+    total_F2 *= 0.5*(upper-lower);
+    const double s = (sld - solvent_sld) * form_volume(radius, thickness, length);
+    *F1 = 1e-2 * s * total_F1;
+    *F2 = 1e-4 * s*s * total_F2;
+}
 
-    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);
-}
 
 static double
@@ -57 +54 @@
 {
     const double form = _fq(qab, qc, radius, thickness, length);
-
-    const double vol = form_volume(radius, thickness, length);
-    return _hollow_cylinder_scaling(form*form, solvent_sld-sld, vol);
+    const double s = (sld - solvent_sld) * form_volume(radius, thickness, length);
+    return 1.0e-4*square(s * form);
 }