Changeset b260926 in sasmodels for sasmodels/models/core_shell_bicelle.c

Timestamp:

Mar 22, 2017 7:29:03 PM (7 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:

f4f85b3

Parents:

50beefe

Message:

core shell bicelle: code cleanup

File:

• sasmodels/models/core_shell_bicelle.c (modified) (7 diffs)

sasmodels/models/core_shell_bicelle.c

@@ -30 +30 @@
 
 static double
-bicelle_kernel(double qq,
+bicelle_kernel(double q,
               double rad,
               double radthick,
               double facthick,
-              double length,
+              double halflength,
               double rhoc,
               double rhoh,
@@ -42 +42 @@
               double cos_alpha)
 {
-    double si1,si2,be1,be2;
-
     const double dr1 = rhoc-rhoh;
     const double dr2 = rhor-rhosolv;
     const double dr3 = rhoh-rhor;
-    const double vol1 = M_PI*rad*rad*(2.0*length);
-    const double vol2 = M_PI*(rad+radthick)*(rad+radthick)*2.0*(length+facthick);
-    const double vol3 = M_PI*rad*rad*2.0*(length+facthick);
-    double besarg1 = qq*rad*sin_alpha;
-    double besarg2 = qq*(rad+radthick)*sin_alpha;
-    double sinarg1 = qq*length*cos_alpha;
-    double sinarg2 = qq*(length+facthick)*cos_alpha;
+    const double vol1 = M_PI*square(rad)*2.0*(halflength);
+    const double vol2 = M_PI*square(rad+radthick)*2.0*(halflength+facthick);
+    const double vol3 = M_PI*square(rad)*2.0*(halflength+facthick);
 
-    be1 = sas_2J1x_x(besarg1);
-    be2 = sas_2J1x_x(besarg2);
-    si1 = sas_sinx_x(sinarg1);
-    si2 = sas_sinx_x(sinarg2);
+    const double be1 = sas_2J1x_x(q*(rad)*sin_alpha);
+    const double be2 = sas_2J1x_x(q*(rad+radthick)*sin_alpha);
+    const double si1 = sas_sinx_x(q*(halflength)*cos_alpha);
+    const double si2 = sas_sinx_x(q*(halflength+facthick)*cos_alpha);
 
     const double t = vol1*dr1*si1*be1 +
@@ -64 +58 @@
                      vol3*dr3*si2*be1;
 
-    const double retval = t*t*sin_alpha;
+    const double retval = t*t;
 
     return retval;
@@ -71 +65 @@
 
 static double
-bicelle_integration(double qq,
+bicelle_integration(double q,
                    double rad,
                    double radthick,
@@ -83 +77 @@
     // set up the integration end points
     const double uplim = M_PI_4;
-    const double halfheight = 0.5*length;
+    const double halflength = 0.5*length;
 
     double summ = 0.0;
@@ -90 +84 @@
         double sin_alpha, cos_alpha; // slots to hold sincos function output
         SINCOS(alpha, sin_alpha, cos_alpha);
-        double yyy = Gauss76Wt[i] * bicelle_kernel(qq, rad, radthick, facthick,
-                             halfheight, rhoc, rhoh, rhor, rhosolv,
+        double yyy = Gauss76Wt[i] * bicelle_kernel(q, rad, radthick, facthick,
+                             halflength, rhoc, rhoh, rhor, rhosolv,
                              sin_alpha, cos_alpha);
-        summ += yyy;
+        summ += yyy*sin_alpha;
     }
 
@@ -119 +113 @@
     double answer = bicelle_kernel(q, radius, thick_rim, thick_face,
                            0.5*length, core_sld, face_sld, rim_sld,
-                           solvent_sld, sin_alpha, cos_alpha) / fabs(sin_alpha);
-
-    answer *= 1.0e-4;
-
-    return answer;
+                           solvent_sld, sin_alpha, cos_alpha);
+    return 1.0e-4*answer;
 }