Changeset 127 for sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/PolyHardSphereInten.ipf

Timestamp:

Jul 24, 2007 3:23:44 PM (16 years ago)

Author:

srkline

Message:

LOTS of changes to the analysis ipf files:

-- see sphere.ipf for the simplest example of the changes --

• #pragma Igor 6
• #if directive to look for XOP
• AAO unsmeared functions
• STRUCT functions for smearing (also AAO)
• new wrappers for dependencies to struct functions

(2006 models have NOT been completed yet, only the old models)

• loading data files into data folders (PlotUtils?) + some streamlining of the loaders
• Smear_Model_N is now AAO + some streamlining of the quadrature code

-- SHS and SW structure factor XOPs are crashing (need DP wave, I may have old XOP)
-- this breaks fitting of the smeared models until wrappers can be devised
-- all packages will be broken due to the new data folder structure
-- multiple instances of functions will now cause problems (MSA)
-- RPA model is a problem with its odd functional form (extra wave)

-- lots of other carnage to follow as the bugs and typos are shaken out

24 JUL 2007 SRK

File:

• sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/PolyHardSphereInten.ipf (modified) (6 diffs)

sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/PolyHardSphereInten.ipf

@@ -1 +1 @@
 #pragma rtGlobals=1             // Use modern global access method.
+#pragma IgorVersion = 6.0
 
 ////////////////////////////////////////////////
@@ -23 +24 @@
         make/o/t parameters_phs = {"Radius (A)","polydispersity","volume fraction","contrast (A^-2)","background (cm^-1)"}
         Edit parameters_phs,coef_phs
-        ywave_phs := PolyHSIntensity(coef_phs,xwave_phs)
+        Variable/G root:g_phs
+        g_phs := PolyHardSphereIntensity(coef_phs,ywave_phs,xwave_phs)
+//      ywave_phs := PolyHardSphereIntensity(coef_phs,xwave_phs)
         Display ywave_phs vs xwave_phs
         ModifyGraph log=1,marker=29,msize=2,mode=4
@@ -32 +35 @@
 
 ///////////////////////////////////////////////////////////
-
-Proc PlotSmearedPolyHardSpheres()               
-        //no input parameters necessary, it MUST use the experimental q-values
-        // from the experimental data read in from an AVE/QSIG data file
-        
-        // if no gQvals wave, data must not have been loaded => abort
-        if(ResolutionWavesMissing())
+// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
+Proc PlotSmearedPolyHardSpheres(str)                                                            
+        String str
+        Prompt str,"Pick the data folder conatining the resolution you want",popup,getAList(4)
+        
+        // if any of the resolution waves are missing => abort
+        if(ResolutionWavesMissingDF(str))               //updated to NOT use global strings (in GaussUtils)
                 Abort
         endif
+        
+        SetDataFolder $("root:"+str)
         
         // Setup parameter table for model function
@@ -49 +54 @@
         // output smeared intensity wave, dimensions are identical to experimental QSIG values
         // make extra copy of experimental q-values for easy plotting
-        Duplicate/O $gQvals smeared_phs,smeared_qvals
-        SetScale d,0,0,"1/cm",smeared_phs
-
-        smeared_phs := SmearedPolyHardSpheres(smear_coef_phs,$gQvals)
+        Duplicate/O $(str+"_q") smeared_phs,smeared_qvals
+        SetScale d,0,0,"1/cm",smeared_phs                                       
+                
+        Variable/G gs_phs=0
+        gs_phs := fSmearedPolyHardSpheres(smear_coef_phs,smeared_phs,smeared_qvals)     //this wrapper fills the STRUCT
+
         Display smeared_phs vs smeared_qvals
         ModifyGraph log=1,marker=29,msize=2,mode=4
         Label bottom "q (\\S-1\\M)"
         Label left "Intensity (cm\\S-1\\M)"
-        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
-End
-
+        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)  
+        
+        SetDataFolder root:
+End
+
+//AAO version
+Function PolyHardSphereIntensity(cw,yw,xw) : FitFunc
+        Wave cw,yw,xw
+
+#if exists("PolyHardSphereIntensityX")
+        yw = PolyHardSphereIntensityX(cw,xw)
+#else
+        yw = fPolyHardSphereIntensity(cw,xw)
+#endif
+        return(0)
+End
 
 ///////////////////////////////////////////////////////////////
@@ -74 +94 @@
 //
 ///////////////////////////
-Function PolyHSIntensity(w,k) : FitFunc
+Function fPolyHardSphereIntensity(w,k) : FitFunc
         Wave w                  // the coefficient wave
         Variable k              // the x values, as a variable (single k is OK)
@@ -186 +206 @@
 
 // this is all there is to the smeared calculation!
-Function SmearedPolyHardSpheres(w,x) :FitFunc
-        Wave w
-        Variable x
-        
-        Variable ans
-        SVAR sq = gSig_Q
-        SVAR qb = gQ_bar
-        SVAR sh = gShadow
-        SVAR gQ = gQVals
-        
-        //the name of your unsmeared model is the first argument
-        ans = Smear_Model_20(PolyHSIntensity,$sq,$qb,$sh,$gQ,w,x)
-
-        return(ans)
-End
+Function SmearedPolyHardSpheres(s) :FitFunc
+        Struct ResSmearAAOStruct &s
+
+////the name of your unsmeared model is the first argument
+        s.yW = Smear_Model_20(PolyHardSphereIntensity,s.coefW,s.xW,s.resW)
+
+        return(0)
+End
+
+//wrapper to calculate the smeared model as an AAO-Struct
+// fills the struct and calls the ususal function with the STRUCT parameter
+//
+// used only for the dependency, not for fitting
+//
+Function fSmearedPolyHardSpheres(coefW,yW,xW)
+        Wave coefW,yW,xW
+        
+        String str = getWavesDataFolder(yW,0)
+        String DF="root:"+str+":"
+        
+        WAVE resW = $(DF+str+"_res")
+        
+        STRUCT ResSmearAAOStruct fs
+        WAVE fs.coefW = coefW   
+        WAVE fs.yW = yW
+        WAVE fs.xW = xW
+        WAVE fs.resW = resW
+        
+        Variable err
+        err = SmearedPolyHardSpheres(fs)
+        
+        return (0)
+End