Changes in / [216fa6d:98f3053] in sasmodels

Location:

sasmodels/models

Files:

• bcc.c (modified) (3 diffs)
• bcc.py (modified) (1 diff)
• fcc.c (modified) (4 diffs)
• fcc.py (modified) (1 diff)
• img/sc_crystal_1d.jpg (added)
• img/sc_crystal_fig1.jpg (added)
• img/sc_crystal_fig2.jpg (added)
• img/sc_crystal_fig3.jpg (added)
• lib/sphere_form.c (added)
• sc_crystal.c (added)
• sc_crystal.py (added)

sasmodels/models/bcc.c

@@ -40 +40 @@
 }
 
-double _sphereform(double q, double radius, double sld, double solvent_sld){
-    const double qr = q*radius;
-    double sn, cn;
-    SINCOS(qr, sn, cn);
-    const double bes = (qr == 0.0 ? 1.0 : 3.0*(sn-qr*cn)/(qr*qr*qr));
-    const double fq = bes * (sld - solvent_sld)*form_volume(radius);
-    return 1.0e-4*fq*fq;
-}
 
 double form_volume(double radius){
@@ -87 +79 @@
 
         answer = (vb-va)/2.0*summ;
-        answer = answer*_sphereform(q,radius,sld,solvent_sld)*latticescale;
+        answer = answer*sphere_form(q,radius,sld,solvent_sld)*latticescale;
 
     return answer;
@@ -174 +166 @@
 
   // Use SphereForm directly from libigor
-  answer = _sphereform(q,radius,sld,solvent_sld)*Zq*latticescale;
+  answer = sphere_form(q,radius,sld,solvent_sld)*Zq*latticescale;
 
   return answer;

sasmodels/models/bcc.py

@@ -132 +132 @@
 # pylint: enable=bad-whitespace, line-too-long
 
-source = ["lib/J1.c", "lib/gauss150.c", "bcc.c"]
+source = ["lib/J1.c", "lib/gauss150.c", "lib/sphere_form.c", "bcc.c"]
 
 # parameters for demo

sasmodels/models/fcc.c

@@ -7 +7 @@
 double _FCC_Integrand(double q, double dnn, double d_factor, double theta, double phi);
 double _FCCeval(double Theta, double Phi, double temp1, double temp3);
-double _sphereform(double q, double radius, double sld, double solvent_sld);
 
 
@@ -39 +38 @@
 
         return (result);
-}
-
-double _sphereform(double q, double radius, double sld, double solvent_sld){
-    const double qr = q*radius;
-    double sn, cn;
-    SINCOS(qr, sn, cn);
-    const double bes = (qr == 0.0 ? 1.0 : 3.0*(sn-qr*cn)/(qr*qr*qr));
-    const double fq = bes * (sld - solvent_sld)*form_volume(radius);
-    return 1.0e-4*fq*fq;
 }
 
@@ -88 +78 @@
 
         answer = (vb-va)/2.0*summ;
-        answer = answer*_sphereform(q,radius,sld,solvent_sld)*latticescale;
+        answer = answer*sphere_form(q,radius,sld,solvent_sld)*latticescale;
 
     return answer;
@@ -175 +165 @@
 
   // Use SphereForm directly from libigor
-  answer = _sphereform(q,radius,sld,solvent_sld)*Zq*latticescale;
+  answer = sphere_form(q,radius,sld,solvent_sld)*Zq*latticescale;
 
   return answer;

sasmodels/models/fcc.py

@@ -125 +125 @@
              ]
 
-source = ["lib/J1.c", "lib/gauss150.c", "fcc.c"]
+source = ["lib/J1.c", "lib/gauss150.c", "lib/sphere_form.c", "fcc.c"]
 
 # parameters for demo