Changeset 127 for sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/SmearedRPA.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/SmearedRPA.ipf (modified) (6 diffs)

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

@@ -1 +1 @@
 #pragma rtGlobals=1             // Use modern global access method.
-
+#pragma IgorVersion = 6.0
+
+// currently, there is NO XOP version of RPA, since there is an extra input parameter
+// wave that must be carried into the function.
+// this can be done with the STRUCT, if extra space is allocated for such
+//
+// in addition, the inputvalues, coefvalues_rpa names are not consistent with other models
+// - it would be nice for users to make all models have a consistent naming scheme
+//
 //
 Proc PlotRPAForm(num,qmin,qmax,nCASE)
@@ -63 +71 @@
 End
 
-Proc PlotSmearedRPAForm(nCASE)
-        //no input parameters necessary, it MUST use the experimental q-values
-        // from the experimental data read in from an AVE/QSIG data file
-        Variable/g gCASE                //Global Variable
+// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
+Proc PlotSmearedRPAForm(str,nCASE)                                                              
+        String str
         Variable nCASE
+        Prompt str,"Pick the data folder conatining the resolution you want",popup,getAList(4)
         Prompt nCASE, "Choose one of the following cases:",popup "CASE 1: C/D BINARY MIXTURE OF HOMOPOLYMERS;"
         "CASE 2: C-D DIBLOCK COPOLYMER;"
@@ -78 +86 @@
         "CASE 9: A-B/C-D MIXTURE OF TWO DIBLOCK COPOLYMERS A-B AND C-D;"
         "CASE 10: A-B-C-D FOUR-BLOCK COPOLYMER"
-
-        // if no gQvals wave, data must not have been loaded => abort
-        if(ResolutionWavesMissing())
+        
+        SetDataFolder $("root:"+str)
+
+        Variable/g gCASE                //Global Variable
+
+        // if any of the resolution waves are missing => abort
+        if(ResolutionWavesMissingDF(str))               //updated to NOT use global strings (in GaussUtils)
                 Abort
         endif
-
+        
         gCASE = nCASE
 //      print gCASE
 
+        
         IF(gCASE <=2)
                 Make/O/D inputvalues={1000,0.5,100,1.e-12,1000,0.5,100,0.e-12}
@@ -116 +129 @@
         // output smeared intensity wave, dimensions are identical to experimental QSIG values
         // make extra copy of experimental q-values for easy plotting
-        Duplicate/O $gQvals smeared_rpa,smeared_qvals   
-        SetScale d,0,0,"1/cm",smeared_rpa       
-
-        smeared_rpa := SmearedRPAForm(smear_coefvalues_rpa,$gQvals)
+        Duplicate/O $(str+"_q") smeared_rpa,smeared_qvals       
+        SetScale d,0,0,"1/cm",smeared_rpa                                       
+                
+        Variable/G gs_rpa=0
+        gs_rpa := fSmearedRPAForm(smear_coef_rpa,smeared_rpa,smeared_qvals)     //this wrapper fills the STRUCT
+        
         Display smeared_rpa vs smeared_qvals
         ModifyGraph log=1,marker=29,msize=2,mode=4
@@ -125 +140 @@
         Label left "Intensity (cm\\S-1\\M)"
         AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
+        
+        SetDataFolder root:
 End
 
@@ -552 +569 @@
 
 // this is all there is to the smeared calculation!
-Function SmearedRPAForm(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(RPAForm,$sq,$qb,$sh,$gQ,w,x)
-
-        return(ans)
+Function SmearedRPAForm(s) :FitFunc
+
+        Struct ResSmearAAOStruct &s
+
+////the name of your unsmeared model is the first argument
+        s.yW = Smear_Model_20(RPAForm,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 fSmearedRPAForm(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 = SmearedRPAForm(fs)
+        
+        return (0)
+End