Changeset 2a0b2b1 in sasmodels for sasmodels/models/triaxial_ellipsoid.c

Timestamp:

Apr 14, 2017 6:30:29 AM (7 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:

fdd56a1

Parents:

9901384

Message:

restructure all 2D models to work with (qa,qb,qc) = rotate(qx,qy) rather than working with angles directly in preparation for revised jitter algorithm

File:

• sasmodels/models/triaxial_ellipsoid.c (modified) (3 diffs)

sasmodels/models/triaxial_ellipsoid.c

@@ -1 @@
-double form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar);
-double Iq(double q, double sld, double sld_solvent,
-    double radius_equat_minor, double radius_equat_major, double radius_polar);
-double Iqxy(double qx, double qy, double sld, double sld_solvent,
-    double radius_equat_minor, double radius_equat_major, double radius_polar, double theta, double phi, double psi);
-
 //#define INVALID(v) (v.radius_equat_minor > v.radius_equat_major || v.radius_equat_major > v.radius_polar)
 
-
-double form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar)
+static double
+form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar)
 {
     return M_4PI_3*radius_equat_minor*radius_equat_major*radius_polar;
 }
 
-double Iq(double q,
+static double
+Iq(double q,
     double sld,
     double sld_solvent,
@@ -45 +40 @@
     // translate integration ranges from [-1,1] to [lower,upper] and normalize by 4 pi
     const double fqsq = outer/4.0;  // = outer*um*zm*8.0/(4.0*M_PI);
-    const double s = (sld - sld_solvent) * form_volume(radius_equat_minor, radius_equat_major, radius_polar);
-    return 1.0e-4 * s * s * fqsq;
+    const double vol = form_volume(radius_equat_minor, radius_equat_major, radius_polar);
+    const double drho = (sld - sld_solvent);
+    return 1.0e-4 * square(vol*drho) * fqsq;
 }
 
-double Iqxy(double qx, double qy,
+static double
+Iqxy(double qx, double qy,
     double sld,
     double sld_solvent,
@@ -61 +58 @@
     double q, xhat, yhat, zhat;
     ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat);
+    const double qa = q*xhat;
+    const double qb = q*yhat;
+    const double qc = q*zhat;
 
-    const double r = sqrt(square(radius_equat_minor*xhat)
-                          + square(radius_equat_major*yhat)
-                          + square(radius_polar*zhat));
-    const double fq = sas_3j1x_x(q*r);
-    const double s = (sld - sld_solvent) * form_volume(radius_equat_minor, radius_equat_major, radius_polar);
+    const double qr = sqrt(square(radius_equat_minor*qa)
+                           + square(radius_equat_major*qb)
+                           + square(radius_polar*qc));
+    const double fq = sas_3j1x_x(qr);
+    const double vol = form_volume(radius_equat_minor, radius_equat_major, radius_polar);
+    const double drho = (sld - sld_solvent);
 
-    return 1.0e-4 * square(s * fq);
+    return 1.0e-4 * square(vol * drho * fq);
 }
-