Changeset 5eb9154 in sasview for sansmodels/src/sans/models/c_extensions

Timestamp:

Aug 31, 2009 5:25:44 PM (15 years ago)

Author:

Jae Cho <jhjcho@…>

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

5be36bb

Parents:

572beba

Message:

calculation of the effective radius are added

Location:

sansmodels/src/sans/models/c_extensions

Files:

• DiamCyl.c (modified) (1 diff)
• DiamEllip.c (modified) (1 diff)
• Hardsphere.c (modified) (3 diffs)
• Hardsphere.h (modified) (3 diffs)
• HayterMSA.c (modified) (4 diffs)
• HayterMSA.h (modified) (2 diffs)
• SquareWell.c (modified) (3 diffs)
• SquareWell.h (modified) (3 diffs)
• StickyHS.c (modified) (2 diffs)
• StickyHS.h (modified) (3 diffs)
• multishell.h (modified) (1 diff)
• spheroid.h (modified) (2 diffs)

sansmodels/src/sans/models/c_extensions/DiamCyl.c

@@ -16 +16 @@
  */
 double DiamCyld_analytical_1D(DiamCyldParameters *pars, double q) {
-        double dp[2];
+        double cylh;
+        double cylr;
 
-        dp[0] = pars->radius;
-        dp[1] = pars->length;
-        return DiamCyl(dp, q);
+        cylr = pars->radius;
+        cylh = pars->length;
+        return DiamCyl(cylh, cylr);
 }
 

sansmodels/src/sans/models/c_extensions/DiamEllip.c

@@ -16 +16 @@
  */
 double DiamEllips_analytical_1D(DiamEllipsParameters *pars, double q) {
-        double dp[2];
+        double ell_a, ell_b;
 
-        dp[0] = pars->radius_a;
-        dp[1] = pars->radius_b;
-        return DiamEllip(dp, q);
+        ell_a = pars->radius_a;
+        ell_b = pars->radius_b;
+        return DiamEllip(ell_a, ell_b);
 }
 

sansmodels/src/sans/models/c_extensions/Hardsphere.c

@@ -11 +11 @@
 /**
  * Function to evaluate 1D scattering function
- * @param pars: parameters of the HardsphereStructure 
+ * @param pars: parameters of the HardsphereStructure
  * @param q: q-value
  * @return: function value
@@ -17 +17 @@
 double Hardsphere_analytical_1D(HardsphereParameters *pars, double q) {
         double dp[2];
-        
-        dp[0] = pars->radius;
-        dp[1] = pars->volfraction;      
+        if (q == 0){
+                return 0.2;
+        }
+        dp[0] = pars->effect_radius;
+        dp[1] = pars->volfraction;
         return HardSphereStruct(dp, q);
 }
-    
+
 /**
  * Function to evaluate 2D scattering function
@@ -34 +36 @@
 
 double Hardsphere_analytical_2DXY(HardsphereParameters *pars, double qx, double qy){
-        return Hardsphere_analytical_1D(pars,sqrt(qx*qx+qy*qy));        
+        return Hardsphere_analytical_1D(pars,sqrt(qx*qx+qy*qy));
 }

sansmodels/src/sans/models/c_extensions/Hardsphere.h

@@ -6 +6 @@
  */
  //[PYTHONCLASS] = HardsphereStructure
- //[DISP_PARAMS] = radius
+ //[DISP_PARAMS] = effect_radius
  //[DESCRIPTION] =<text>Structure factor for interacting particles:                   .
  //
@@ -14 +14 @@
  //                         = 0     , r >= 2R
  //
- //                                             R: radius of the Hardsphere particle
+ //                                             R: effective radius of the Hardsphere particle
  //                                             V:The volume fraction
  //
@@ -20 +20 @@
  //     Rev. 1958, 110, 1.
  //      </text>
- //[FIXED]= radius.width
+ //[FIXED]= effect_radius.width
 
 
 typedef struct {
-    /// Radius of hardsphere [A]
-    //  [DEFAULT]=radius=50.0 [A]
-    double radius;
+    /// effect radius of hardsphere [A]
+    //  [DEFAULT]=effect_radius=50.0 [A]
+    double effect_radius;
 
     /// Volume fraction

sansmodels/src/sans/models/c_extensions/HayterMSA.c

@@ -1 +1 @@
 /**
- * SquareWell Structure factor 
+ * SquareWell Structure factor
  * @author: Jae Hie Cho / UTK
  */
@@ -18 +18 @@
         double dp[6];
 
-        dp[0] = pars->radius;
+        dp[0] = pars->effect_radius;
         dp[1] = pars->charge;
         dp[1] = pars->volfraction;
@@ -24 +24 @@
         dp[4] = pars->saltconc;
         dp[5] = pars->dielectconst;
-        
+
         return HayterPenfoldMSA(dp, q);
 }
-    
+
 /**
  * Function to evaluate 2D scattering function
@@ -39 +39 @@
 
 double HayterMSA_analytical_2DXY(HayterMSAParameters *pars, double qx, double qy){
-        return HayterMSA_analytical_1D(pars,sqrt(qx*qx+qy*qy)); 
+        return HayterMSA_analytical_1D(pars,sqrt(qx*qx+qy*qy));
 }

sansmodels/src/sans/models/c_extensions/HayterMSA.h

@@ -6 +6 @@
  */
  //[PYTHONCLASS] = HayterMSAStructure
- //[DISP_PARAMS] = radius
+ //[DISP_PARAMS] = effect_radius
  //[DESCRIPTION] =<text>To calculate the structure factor (the Fourier transform of the
  //                     pair correlation function g(r)) for a system of
@@ -22 +22 @@
  //
  //                             </text>
- //[FIXED]= radius.width
+ //[FIXED]= effect_radius.width
 
 typedef struct {
-    /// Radius of particle [A]
-    //  [DEFAULT]=radius=20.75 [A]
-    double radius;
+    /// effetitve radius of particle [A]
+    //  [DEFAULT]=effect_radius=20.75 [A]
+    double effect_radius;
 
     /// charge

sansmodels/src/sans/models/c_extensions/SquareWell.c

@@ -1 +1 @@
 /**
- * SquareWell Structure factor 
+ * SquareWell Structure factor
  * @author: Jae Hie Cho / UTK
  */
@@ -20 +20 @@
         double dp[4];
 
-        dp[0] = pars->radius;
+        dp[0] = pars->effect_radius;
         dp[1] = pars->volfraction;
         dp[2] = pars->welldepth;
         dp[3] = pars->wellwidth;
-        
+
         return SquareWellStruct(dp, q);
 }
-    
+
 /**
  * Function to evaluate 2D scattering function
@@ -39 +39 @@
 
 double SquareWell_analytical_2DXY(SquareWellParameters *pars, double qx, double qy){
-        return SquareWell_analytical_1D(pars,sqrt(qx*qx+qy*qy));        
+        return SquareWell_analytical_1D(pars,sqrt(qx*qx+qy*qy));
 }

sansmodels/src/sans/models/c_extensions/SquareWell.h

@@ -5 +5 @@
 */
 //   [PYTHONCLASS] = SquareWellStructure
-//   [DISP_PARAMS] = radius
+//   [DISP_PARAMS] = effect_radius
 //   [DESCRIPTION] = <text> Structure Factor for interacting particles:             .
 //
@@ -14 +14 @@
 //                      = 0     , r >= 2Rw
 //
-//              R: radius (A)of the particle
+//              R: effective radius (A)of the particle
 //              v: volume fraction
 //              d: well depth
@@ -23 +23 @@
 //      K. C., Physica, 1977, 89A, 213.
 //                      </text>
-//   [FIXED]= radius.width
+//   [FIXED]= effect_radius.width
 //[ORIENTATION_PARAMS]= <text> </text>
 
 
 typedef struct {
-    /// Radius of particle [A]
-    //  [DEFAULT]=radius=50.0 [A]
-    double radius;
+    /// effective radius of particle [A]
+    //  [DEFAULT]=effect_radius=50.0 [A]
+    double effect_radius;
 
     /// Volume fraction

sansmodels/src/sans/models/c_extensions/StickyHS.c

@@ -17 +17 @@
 double StickyHS_analytical_1D(StickyHSParameters *pars, double q) {
         double dp[4];
-        
-        dp[0] = pars->radius;
-        dp[1] = pars->volfraction;      
+
+        dp[0] = pars->effect_radius;
+        dp[1] = pars->volfraction;
         dp[2] = pars->perturb;
-        dp[3] = pars->stickiness;       
+        dp[3] = pars->stickiness;
         return StickyHS_Struct(dp, q);
 }
-    
+
 /**
  * Function to evaluate 2D scattering function
@@ -36 +36 @@
 
 double StickyHS_analytical_2DXY(StickyHSParameters *pars, double qx, double qy){
-        return StickyHS_analytical_1D(pars,sqrt(qx*qx+qy*qy));  
+        return StickyHS_analytical_1D(pars,sqrt(qx*qx+qy*qy));
 }

sansmodels/src/sans/models/c_extensions/StickyHS.h

@@ -6 +6 @@
  */
  //[PYTHONCLASS] = StickyHSStructure
- //[DISP_PARAMS] = radius
+ //[DISP_PARAMS] = effect_radius
  //[DESCRIPTION] =<text> Structure Factor for interacting particles:                               .
  //
@@ -15 +15 @@
  //                         = 0   , r >= 2R +w
  //
- //                                             R: radius of the hardsphere
+ //                                             R: effective radius of the hardsphere
  //                     stickiness = [exp(Uo/kT)]/(12*perturb)
  //                     perturb = w/(w+ 2R) , 0.01 =< w <= 0.1
@@ -24 +24 @@
  //                      Phys., 1991, 95(12), 9186-9190.
  //                             </text>
- //[FIXED]= radius.width
+ //[FIXED]= effect_radius.width
 typedef struct {
-    /// Radius of hardsphere [A]
-    //  [DEFAULT]=radius=50.0 [A]
-    double radius;
+    /// effect radius of hardsphere [A]
+    //  [DEFAULT]=effect_radius=50.0 [A]
+    double effect_radius;
 
     /// Volume fraction

sansmodels/src/sans/models/c_extensions/multishell.h

@@ -7 +7 @@
         [PYTHONCLASS] = MultiShellModel
         [DISP_PARAMS] = core_radius, s_thickness, w_thickness
-        [DESCRIPTION] =<text>Model parameters:
+        [DESCRIPTION] =<text> MultiShell (Sphere) Model (or Multilamellar Vesicles): Model parameters;
                                 scale : scale factor
                                 core_radius : Core radius of the multishell

sansmodels/src/sans/models/c_extensions/spheroid.h

@@ -14 +14 @@
                         polar_core = polar radius of core,
                         equat_shell = equatorial radius of shell,
-                        polar_shell = polar radius of shell,
+                        polar_shell = polar radius (revolution axis) of shell,
                         contrast = SLD_core - SLD_shell
                         sld_solvent = SLD_solvent
@@ -21 +21 @@
                         Note:It is the users' responsibility to ensure
                         that shell radii are larger than core radii.
-                        oblate shell: equatorial radius > polar radius
-                        prolate shell: equatorial radius < polar radius
+                        oblate: polar radius < equatorial radius
+                        prolate :  polar radius > equatorial radius
                         </text>