Changeset 177c1a1 in sasmodels

Timestamp:

Feb 4, 2016 8:17:50 PM (8 years ago)

Author:

Paul Kienzle <pkienzle@…>

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:

3a45c2c

Parents:

eeb8bac

Message:

switch to sph_j1c in core_shell_ellipsoid

Location:

sasmodels/models

Files:

• core_shell_ellipsoid.py (modified) (1 diff)
• lib/gfn.c (modified) (1 diff)

sasmodels/models/core_shell_ellipsoid.py

@@ -112 +112 @@
 # pylint: enable=bad-whitespace, line-too-long
 
-source = ["lib/gfn.c", "lib/gauss76.c", "core_shell_ellipsoid.c"]
+source = ["lib/sph_j1c.c", "lib/gfn.c", "lib/gauss76.c", "core_shell_ellipsoid.c"]
 
 demo = dict(scale=1, background=0.001,

sasmodels/models/lib/gfn.c

@@ -6 +6 @@
 //       <OBLATE ELLIPSOID>
 // function gfn4 for oblate ellipsoids
-static double
+double
+gfn4(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq);
+double
 gfn4(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq)
 {
-        // local variables
-        double aa,bb,u2,ut2,uq,ut,vc,vt,siq,sit,gfnc,gfnt,tgfn,gfn4,pi43,Pi;
+    // local variables
+    const double pi43=4.0/3.0*M_PI;
+    const double aa = crmaj;
+    const double bb = crmin;
+    const double u2 = (bb*bb*xx*xx + aa*aa*(1.0-xx*xx));
+    const double uq = sqrt(u2)*qq;
+    // changing to more accurate sph_j1c since the following inexplicably fails on Radeon Nano.
+    //const double siq = (uq == 0.0 ? 1.0 : 3.0*(sin(uq)/uq/uq - cos(uq)/uq)/uq);
+    const double siq = sph_j1c(uq);
+    const double vc = pi43*aa*aa*bb;
+    const double gfnc = siq*vc*delpc;
 
-        Pi = 4.0*atan(1.0);
-        pi43=4.0/3.0*Pi;
-        aa = crmaj;
-        bb = crmin;
-        u2 = (bb*bb*xx*xx + aa*aa*(1.0-xx*xx));
-        ut2 = (trmin*trmin*xx*xx + trmaj*trmaj*(1.0-xx*xx));
-        uq = sqrt(u2)*qq;
-        ut= sqrt(ut2)*qq;
-        vc = pi43*aa*aa*bb;
-        vt = pi43*trmaj*trmaj*trmin;
-        if (uq == 0.0){
-                siq = 1.0/3.0;
-        }else{
-                siq = (sin(uq)/uq/uq - cos(uq)/uq)/uq;
-        }
-        if (ut == 0.0){
-                sit = 1.0/3.0;
-        }else{
-                sit = (sin(ut)/ut/ut - cos(ut)/ut)/ut;
-        }
-        gfnc = 3.0*siq*vc*delpc;
-        gfnt = 3.0*sit*vt*delps;
-        tgfn = gfnc+gfnt;
-        gfn4 = tgfn*tgfn;
+    const double ut2 = (trmin*trmin*xx*xx + trmaj*trmaj*(1.0-xx*xx));
+    const double ut= sqrt(ut2)*qq;
+    const double vt = pi43*trmaj*trmaj*trmin;
+    //const double sit = (ut == 0.0 ? 1.0 : 3.0*(sin(ut)/ut/ut - cos(ut)/ut)/ut);
+    const double sit = sph_j1c(ut);
+    const double gfnt = sit*vt*delps;
 
-        return (gfn4);
+    const double tgfn = gfnc + gfnt;
+    const double result = tgfn*tgfn;
+
+    return (result);
 }