Changeset 339ce67 in sasview for sansmodels/src/sans/models/c_extensions

Timestamp:

Oct 12, 2010 6:22:08 PM (14 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:

20f00bed

Parents:

aaad3098

Message:

added some models and tests

Location:

sansmodels/src/sans/models/c_extensions

Files:

• barbell.c (added)
• barbell.h (added)
• capcyl.c (added)
• capcyl.h (added)
• corefourshell.c (modified) (1 diff)
• corefourshell.h (modified) (3 diffs)
• fcc.c (modified) (3 diffs)
• onion.c (modified) (4 diffs)
• onion.h (modified) (3 diffs)
• refl.c (modified) (8 diffs)
• refl.h (modified) (1 diff)

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

@@ -18 +18 @@
 
         dp[0] = pars->scale;
-        dp[1] = pars->rad_core;
-        dp[2] = pars->sld_core;
+        dp[1] = pars->rad_core0;
+        dp[2] = pars->sld_core0;
         dp[3] = pars->thick_shell1;
         dp[4] = pars->sld_shell1;

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

@@ -6 +6 @@
  */
  //[PYTHONCLASS] = CoreFourShellModel
- //[DISP_PARAMS] = rad_core, thick_shell1,thick_shell2,thick_shell3,thick_shell4
+ //[DISP_PARAMS] = rad_core0, thick_shell1,thick_shell2,thick_shell3,thick_shell4
  //[DESCRIPTION] =<text> Calculates the scattering intensity from a core-4 shell structure.
  //                     scale = scale factor * volume fraction
- //                             rad_core: the radius of the core
- //                             sld_core: the SLD of the core
+ //                             rad_core0: the radius of the core
+ //                             sld_core0: the SLD of the core
  //                             thick_shelli: the thickness of the i'th shell from the core
  //                             sld_shelli: the SLD of the i'th shell from the core
@@ -16 +16 @@
  //                             background: incoherent background
  //             </text>
- //[FIXED]=<text>  thick_shell4.width; thick_shell1.width;thick_shell2.width;thick_shell3.width;rad_core.width </text>
+ //[FIXED]=<text>  thick_shell4.width; thick_shell1.width;thick_shell2.width;thick_shell3.width;rad_core0.width </text>
  //[ORIENTATION_PARAMS]= <text> </text>
 
@@ -24 +24 @@
     double scale;
 
-    /// Radius of the core [A]
-    //  [DEFAULT]=rad_core=60. [A]
-    double rad_core;
+    /// Radius of the core0 [A]
+    //  [DEFAULT]=rad_core0=60. [A]
+    double rad_core0;
 
-    /// sld of core [1/A^(2)]
-    //  [DEFAULT]=sld_core= 6.4e-6 [1/A^(2)]
-    double sld_core;
+    /// sld of core0 [1/A^(2)]
+    //  [DEFAULT]=sld_core0= 6.4e-6 [1/A^(2)]
+    double sld_core0;
 
     /// thickness of the shell1 [A]

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

@@ -65 +65 @@
         double answer;
         double Pi = 4.0*atan(1.0);
-        double aa, Da, qDa_2, latticeScale, Zq, Fkq, Fkq_2;
+        double aa, Da, qDa_2, latticeScale, Zq, Fkq, Fkq_2,contrast;
 
         double dp[5];
@@ -77 +77 @@
         Da = pars->d_factor*aa;
         qDa_2 = pow(q*Da,2.0);
+        contrast = pars->sldSph - pars->sldSolv;
 
         latticeScale = 4.0*(4.0/3.0)*Pi*(dp[1]*dp[1]*dp[1])/pow(aa*sqrt(2.0),3.0);
@@ -133 +134 @@
 
         // Use SphereForm directly from libigor
-        answer = SphereForm(dp,q)*Zq;
+        answer = SphereForm_Paracrystal(pars->radius,contrast,q)*Zq;
 
         //consider scales

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

@@ -11 +11 @@
         int n = dp[0];
         double scale = dp[1];
-        double rad_core = dp[2];
-        double sld_core = dp[3];
+        double rad_core0 = dp[2];
+        double sld_core0 = dp[3];
         double sld_solv = dp[4];
         double background = dp[5];
@@ -30 +30 @@
                 fun_type[i] = dp[i+45];
         }
-        sld_out[0] = sld_core;
+        sld_out[0] = sld_core0;
         sld_out[n+1] = sld_solv;
-        sld_in[0] = sld_core;
+        sld_in[0] = sld_core0;
         sld_in[n+1] = sld_solv;
-        thick[0] = rad_core;
+        thick[0] = rad_core0;
         thick[n+1] = 1e+10;
         A[0] = 0.0;
@@ -69 +69 @@
                                         }
                                         else{
-                                                slope[i] = (sld_out[i]-sld_in[i])/(exp(A[i])-1);
+                                                slope[i] = (sld_out[i]-sld_in[i])/(exp(A[i])-1.0);
                                         }
                     for (j=0; j<2; j++){
@@ -174 +174 @@
         dp[0] = pars->n_shells;
         dp[1] = pars->scale;
-        dp[2] = pars->rad_core;
-        dp[3] = pars->sld_core;
+        dp[2] = pars->rad_core0;
+        dp[3] = pars->sld_core0;
         dp[4] = pars->sld_solv;
         dp[5] = pars->background;

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

@@ -6 +6 @@
  */
  //[PYTHONCLASS] = OnionModel
- //[DISP_PARAMS] = rad_core, thick_shell1,thick_shell2,thick_shell3,thick_shell4, thick_shell5,thick_shell6,thick_shell7,thick_shell8,thick_shell9,thick_shell10
+ //[DISP_PARAMS] = rad_core0, thick_shell1,thick_shell2,thick_shell3,thick_shell4, thick_shell5,thick_shell6,thick_shell7,thick_shell8,thick_shell9,thick_shell10
  //[DESCRIPTION] =<text>Form factor of mutishells normalized by the volume. Here each shell is described
  //                                              by an exponential function;
@@ -24 +24 @@
  //
  //                             background:background,
- //                             rad_core: radius of sphere(core)
+ //                             rad_core0: radius of sphere(core)
  //                             thick_shell#:the thickness of the shell#
- //                             sld_core: the SLD of the sphere
+ //                             sld_core0: the SLD of the sphere
  //                             sld_solv: the SLD of the solvent
  //                             sld_shell: the SLD of the shell#
  //                             A_shell#: the coefficient in the exponential function
  //             </text>
- //[FIXED]=  <text>rad_core.width;thick_shell1.width;thick_shell2.width;thick_shell3.width;thick_shell4.width;thick_shell5.width;thick_shell6.width;thick_shell7.width;thick_shell8.width;thick_shell9.width;thick_shell10.width</text>
+ //[FIXED]=  <text>rad_core0.width;thick_shell1.width;thick_shell2.width;thick_shell3.width;thick_shell4.width;thick_shell5.width;thick_shell6.width;thick_shell7.width;thick_shell8.width;thick_shell9.width;thick_shell10.width</text>
  //[ORIENTATION_PARAMS]= <text> </text>
 
@@ -42 +42 @@
         double scale;
     /// Radius of sphere [A]
-    //  [DEFAULT]=rad_core=200.0 [A]
-        double rad_core;
+    //  [DEFAULT]=rad_core0=200.0 [A]
+        double rad_core0;
         ///     sld_core [1/A^(2)]
-        //  [DEFAULT]=sld_core= 1.0e-6 [1/A^(2)]
-        double sld_core;
+        //  [DEFAULT]=sld_core0= 1.0e-6 [1/A^(2)]
+        double sld_core0;
         ///     sld_solv [1/A^(2)]
         //  [DEFAULT]=sld_solv= 6.4e-6 [1/A^(2)]

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

@@ -268 +268 @@
         double background = dp[6];
 
-        double sld[n+2],sld_nul[n+2],thick_inter[n+2],thick[n+2],total_thick;
+        double sld[n+2],sld_im[n+2],thick_inter[n+2],thick[n+2],total_thick;
         fun_type[0] = dp[3];
         for (i =1; i<=n; i++){
@@ -275 +275 @@
                 thick[i] = dp[i+26];
                 fun_type[i] = dp[i+36];
+                sld_im[i] = dp[i+46];
 
                 total_thick += thick[i] + thick_inter[i];
@@ -280 +281 @@
         sld[0] = sld_sub;
         sld[n+1] = sld_super;
+        sld_im[0] = fabs(dp[0+56]);
+        sld_im[n+1] = fabs(dp[1+56]);
         thick[0] = total_thick/5.0;
         thick[n+1] = total_thick/5.0;
@@ -287 +290 @@
         double nsl=21.0; //nsl = Num_sub_layer:  MUST ODD number in double //no other number works now
         int n_s, floor_nsl;
-    double sld_i,dz,phi,R,ko2;
+    double sld_i,sldim_i,dz,phi,R,ko2;
     double sign,erfunc;
     double pi;
@@ -300 +303 @@
         //Checking if floor is available.
         //no imaginary sld inputs in this function yet
-    n_sub=cassign(1.0-sld_sub*pow(lamda,2.0)/(2.0*pi),0.0);
-    n_sup=cassign(1.0-sld_super*pow(lamda,2.0)/(2.0*pi),0.0);
+    n_sub=cassign(1.0-sld_sub*pow(lamda,2.0)/(2.0*pi),pow(lamda,2.0)/(2.0*pi)*sld_im[0]);
+    n_sup=cassign(1.0-sld_super*pow(lamda,2.0)/(2.0*pi),pow(lamda,2.0)/(2.0*pi)*sld_im[n+1]);
     ko2 = pow(2.0*pi/lamda,2.0);
 
@@ -323 +326 @@
                                         dz = thick[i];
                                         sld_i = sld[i];
+                                        sldim_i = sld_im[i];
                                 }
                                 else{
                                         dz = thick_inter[i-1]/nsl;
-                                        sld_i = interfunc(fun_type[i-1],nsl, n_s, sld[i-1], sld[i]);
+                                        if (sld[i-1] == sld[i]){
+                                                sld_i = sld[i];
+                                        }
+                                        else{
+                                                sld_i = interfunc(fun_type[i-1],nsl, n_s, sld[i-1], sld[i]);
+                                        }
+                                        if (sld_im[i-1] == sld_im[i]){
+                                                sldim_i = sld_im[i];
+                                        }
+                                        else{
+                                                sldim_i = interfunc(fun_type[i-1],nsl, n_s, sld_im[i-1], sld_im[i]);
+                                        }
                                 }
-                                nn = cassign(1.0-sld_i*pow(lamda,2.0)/(2.0*pi),0.0);
+                                nn = cassign(1.0-sld_i*pow(lamda,2.0)/(2.0*pi),pow(lamda,2.0)/(2.0*pi)*sldim_i);
                                 nn2=cmult(nn,nn);
 
@@ -366 +381 @@
  */
 double refl_analytical_1D(ReflParameters *pars, double q) {
-        double dp[47];
+        double dp[59];
 
         dp[0] = pars->n_layers;
@@ -420 +435 @@
         dp[46] = pars->func_inter10;
 
+        dp[47] = pars->sldIM_flat1;
+        dp[48] = pars->sldIM_flat2;
+        dp[49] = pars->sldIM_flat3;
+        dp[50] = pars->sldIM_flat4;
+        dp[51] = pars->sldIM_flat5;
+        dp[52] = pars->sldIM_flat6;
+        dp[53] = pars->sldIM_flat7;
+        dp[54] = pars->sldIM_flat8;
+        dp[55] = pars->sldIM_flat9;
+        dp[56] = pars->sldIM_flat10;
+
+        dp[57] = pars->sldIM_sub0;
+        dp[58] = pars->sldIM_medium;
+
         return re_kernel(dp, q);
 }

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

@@ -142 +142 @@
     double func_inter10;
 
+    //  [DEFAULT]=sldIM_flat1=0
+    double sldIM_flat1;
+    //  [DEFAULT]=sldIM_flat2=0
+    double sldIM_flat2;
+    //  [DEFAULT]=sldIM_flat3=0
+    double sldIM_flat3;
+    //  [DEFAULT]=sldIM_flat4=0
+    double sldIM_flat4;
+    //  [DEFAULT]=sldIM_flat5=0
+    double sldIM_flat5;
+    //  [DEFAULT]=sldIM_flat6=0
+    double sldIM_flat6;
+    //  [DEFAULT]=sldIM_flat7=0
+    double sldIM_flat7;
+    //  [DEFAULT]=sldIM_flat8=0
+    double sldIM_flat8;
+    //  [DEFAULT]=sldIM_flat9=0
+    double sldIM_flat9;
+    //  [DEFAULT]=sldIM_flat10=0
+    double sldIM_flat10;
+    //  [DEFAULT]=sldIM_sub0=0
+    double sldIM_sub0;
+    //  [DEFAULT]=sldIM_medium=0
+    double sldIM_medium;
 
 } ReflParameters;