Changeset 940aca7 in sasview for sansmodels

Timestamp:

May 19, 2012 10:17:02 AM (13 years ago)

Author:

Mathieu Doucet <doucetm@…>

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:

baa915c

Parents:

d225e32

Message:

Merge 2.1.1 into trunk

Location:

sansmodels/src

Files:

• libigor/libStructureFactor.c (modified) (11 diffs)
• libigor/libStructureFactor.h (modified) (1 diff)
• sans/models/media/model_functions.html (modified) (1 diff)

sansmodels/src/libigor/libStructureFactor.c

@@ -7 +7 @@
 #include "StandardHeaders.h"                    // Include ANSI headers, Mac headers, IgorXOP.h, XOP.h and XOPSupport.h
 #include "libStructureFactor.h"
-
-static double gMSAWave[17]={1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17};
 
 //Hard Sphere Structure Factor
@@ -177 +175 @@
 HayterPenfoldMSA(double dp[], double q)
 {
+  double gMSAWave[17]={1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17};
         double Elcharge=1.602189e-19;           // electron charge in Coulombs (C)
         double kB=1.380662e-23;                         // Boltzman constant in J/K
@@ -231 +230 @@
         
         ierr=0;
-        ierr=sqcoef(ierr);
+        ierr=sqcoef(ierr, gMSAWave);
         if (ierr>=0) {
-                SofQ=sqhcal(Qdiam);
+                SofQ=sqhcal(Qdiam, gMSAWave);
         }else{
         //SofQ=NaN;
@@ -269 +268 @@
 //
 int
-sqcoef(int ir)
+sqcoef(int ir, double gMSAWave[])
 {       
         int itm=40,ix,ig,ii;
         double acc=5.0E-6,del,e1,e2,f1,f2;
-        
+
         //      WAVE gMSAWave = $"root:HayPenMSA:gMSAWave"
         f1=0;           //these were never properly initialized...
@@ -284 +283 @@
                 gMSAWave[16]=gMSAWave[4];
                 ix=1;
-                ir = sqfun(ix,ir);
+                ir = sqfun(ix,ir,gMSAWave);
                 gMSAWave[14]=gMSAWave[15];
                 gMSAWave[4]=gMSAWave[16];
@@ -310 +309 @@
                         gMSAWave[16]=e1;
                         ix=2;
-                        ir = sqfun(ix,ir);
+                        ir = sqfun(ix,ir,gMSAWave);
                         f1=gMSAWave[15];
                         e1=gMSAWave[16];
@@ -317 +316 @@
                         gMSAWave[16]=e2;
                         ix=2;
-                        ir = sqfun(ix,ir);
+                        ir = sqfun(ix,ir,gMSAWave);
                         f2=gMSAWave[15];
                         e2=gMSAWave[16];
@@ -327 +326 @@
                 gMSAWave[16]=e2;
                 ix=4;
-                ir = sqfun(ix,ir);
+                ir = sqfun(ix,ir,gMSAWave);
                 gMSAWave[14]=gMSAWave[15];
                 e2=gMSAWave[16];
@@ -338 +337 @@
         gMSAWave[16]=gMSAWave[4];
         ix=3;
-        ir = sqfun(ix,ir);
+        ir = sqfun(ix,ir,gMSAWave);
         gMSAWave[14]=gMSAWave[15];
         gMSAWave[4]=gMSAWave[16];
@@ -349 +348 @@
 
 int
-sqfun(int ix, int ir)
+sqfun(int ix, int ir, double gMSAWave[])
 {       
         double acc=1.0e-6;
@@ -712 +711 @@
 
 double
-sqhcal(double qq)
+sqhcal(double qq, double gMSAWave[])
 {       
     double SofQ,etaz,akz,gekz,e24,x1,x2,ck,sk,ak2,qk,q2k,qk2,qk3,qqk,sink,cosk,asink,qcosk,aqk,inter;           
         //      WAVE gMSAWave = $"root:HayPenMSA:gMSAWave"
-        
+
         etaz = gMSAWave[10];
         akz =  gMSAWave[12];

sansmodels/src/libigor/libStructureFactor.h

@@ -10 +10 @@
 
 //function prototypes
-double sqhcal(double qq);
-int sqfun(int ix, int ir);
-int sqcoef(int ir);
+double sqhcal(double qq, double gMSAWave[]);
+int sqfun(int ix, int ir, double gMSAWave[]);
+int sqcoef(int ir, double gMSAWave[]);

sansmodels/src/sans/models/media/model_functions.html

@@ -5749 +5749 @@
 <p class="MsoNormal">The contrast is defined as SLD(core)
 – SLD(shell) or
-SLD(shell – solvent). In the parameters, equat_core = equatorial radius
-of the
-core, polar_core = polar radius of the core, equat_shell = r<sub>min</sub>
-(or
-equatorial radius of the shell), and polar_shell = = r<sub>maj</sub>
-(or polar radius
-of the shell).</p>
+SLD(shell – solvent). In the parameters, equat_core = equatorial core radius, 
+polar_core = polar core radius, equat_shell = r<sub>min</sub>
+(or equatorial outer radius), and polar_shell = = r<sub>maj</sub>
+(or polar outer radius).</p>
 <p class="MsoNormal">&nbsp;</p>
 <p class="MsoNormal">For P*S: The 2<sup>nd</sup>