Changeset 127 for sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/StackedDiscs.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/StackedDiscs.ipf (modified) (7 diffs)

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

@@ -1 +1 @@
 #pragma rtGlobals=1             // Use modern global access method.
+#pragma IgorVersion = 6.0
 
 ////////////////////////////////////////////////
@@ -11 +12 @@
 //
 // 04 JUL 01   DLH
+//
+// SRK - 2007
+// this model needs 76 Gauss points for a proper smearing calculation
+// since there can be sharp interference fringes that develop from the stacking
 ////////////////////////////////////////////////
 
@@ -24 +29 @@
         make/o/t parameters_scyl = {"scale","Disc Radius (A)","Core Thickness (A)","Layer Thickness (A)","Core SLD (A^-2)","Layer SLD (A^-2)","Solvent  SLD(A^-2)","# of Stacking","GSD of d-Spacing","incoh. bkg (cm^-1)"}
         Edit parameters_scyl,coef_scyl
-        ywave_scyl := StackedDiscs(coef_scyl,xwave_scyl)
+        Variable/G root:g_scyl
+        g_scyl := StackedDiscs(coef_scyl,ywave_scyl,xwave_scyl)
+//      ywave_scyl := StackedDiscs(coef_scyl,xwave_scyl)
         Display ywave_scyl vs xwave_scyl
         ModifyGraph log=1,marker=29,msize=2,mode=4
@@ -34 +41 @@
 
 ///////////////////////////////////////////////////////////
-Proc PlotSmearedStackedDiscs()  
-        //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 PlotSmearedStackedDiscs(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
@@ -50 +60 @@
         // output smeared intensity wave, dimensions are identical to experimental QSIG values
         // make extra copy of experimental q-values for easy plotting
-        Duplicate/O $gQvals smeared_scyl,smeared_qvals
-        SetScale d,0,0,"1/cm",smeared_scyl      
-
-        smeared_scyl := SmearedStackedDiscs(smear_coef_scyl,$gQvals)
+        Duplicate/O $(str+"_q") smeared_scyl,smeared_qvals
+        SetScale d,0,0,"1/cm",smeared_scyl                              
+                
+        Variable/G gs_scyl=0
+        gs_scyl := fSmearedStackedDiscs(smear_coef_scyl,smeared_scyl,smeared_qvals)     //this wrapper fills the STRUCT
+        
         Display smeared_scyl vs smeared_qvals
         ModifyGraph log=1,marker=29,msize=2,mode=4
@@ -59 +71 @@
         Label left "Intensity (cm\\S-1\\M)"
         AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
-End
-///////////////////////////////////////////////////////////////
-
+        
+        SetDataFolder root:
+End
+
+///////////////////////////////////////////////////////////////
+
+//AAO version
+Function StackedDiscs(cw,yw,xw) : FitFunc
+        Wave cw,yw,xw
+        
+#if exists("StackedDiscsX")
+        yw = StackedDiscsX(cw,xw)
+#else
+        yw = fStackedDiscs(cw,yw)
+#endif
+        return(0)
+End
 ///////////////////////////////////////////////////////////////
 // unsmeared model calculation
 ///////////////////////////
-Function StackedDiscs(w,x) : FitFunc
+Function fStackedDiscs(w,x) : FitFunc
         Wave w
         Variable x
@@ -231 +257 @@
 ///////////////////////////////////////////////////////////////
 
-// this is all there is to the smeared calculation!
-Function SmearedStackedDiscs(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_76(StackedDiscs,$sq,$qb,$sh,$gQ,w,x)
-
-        return(ans)
-End
-
+// this model needs 76 Gauss points for a proper smearing calculation
+// since there can be sharp interference fringes that develop from the stacking
+Function SmearedStackedDiscs(s) :FitFunc
+        Struct ResSmearAAOStruct &s
+
+////the name of your unsmeared model is the first argument
+        s.yW = Smear_Model_76(StackedDiscs,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 fSmearedStackedDiscs(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 = SmearedStackedDiscs(fs)
+        
+        return (0)
+End