Changes in / [98f3053:216fa6d] 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 (deleted)
• img/sc_crystal_fig1.jpg (deleted)
• img/sc_crystal_fig2.jpg (deleted)
• img/sc_crystal_fig3.jpg (deleted)
• lib/sphere_form.c (deleted)
• sc_crystal.c (deleted)
• sc_crystal.py (deleted)

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){
@@ -79 +87 @@
 
         answer = (vb-va)/2.0*summ;
-        answer = answer*sphere_form(q,radius,sld,solvent_sld)*latticescale;
+        answer = answer*_sphereform(q,radius,sld,solvent_sld)*latticescale;
 
     return answer;
@@ -166 +174 @@
 
   // Use SphereForm directly from libigor
-  answer = sphere_form(q,radius,sld,solvent_sld)*Zq*latticescale;
+  answer = _sphereform(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", "lib/sphere_form.c", "bcc.c"]
+source = ["lib/J1.c", "lib/gauss150.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);
 
 
@@ -38 +39 @@
 
         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;
 }
 
@@ -78 +88 @@
 
         answer = (vb-va)/2.0*summ;
-        answer = answer*sphere_form(q,radius,sld,solvent_sld)*latticescale;
+        answer = answer*_sphereform(q,radius,sld,solvent_sld)*latticescale;
 
     return answer;
@@ -165 +175 @@
 
   // Use SphereForm directly from libigor
-  answer = sphere_form(q,radius,sld,solvent_sld)*Zq*latticescale;
+  answer = _sphereform(q,radius,sld,solvent_sld)*Zq*latticescale;
 
   return answer;

sasmodels/models/fcc.py

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