Changeset 128 for sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/NewModels_2006/MultiShell.ipf

Timestamp:

Jul 25, 2007 3:07:20 PM (16 years ago)

Author:

srkline

Message:

Second round of changes to ipf files to (hopefully) complete the changes to bring all of the model functions to be:

• this set of changes is for the "2006" set of models
• AAO
• new dependencies
• smearing using structures
• #if conditional compile for XOPS

-this needs to be FULLY tested for correctness and bugs
-packages are certainly still broken (data folders)

SRK 25 JUL 07

File:

• sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/NewModels_2006/MultiShell.ipf (modified) (5 diffs)

sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/NewModels_2006/MultiShell.ipf

@@ -22 +22 @@
         make/O/T parameters_mss = {"scale","core radius (A)","shell thickness (A)","water thickness","core & solvent SLD (A-2)","Shell SLD (A-2)","number of water/shell pairs","bkg (cm-1)"}
         Edit/K=1 parameters_mss,coef_mss
-        ywave_mss := MultiShellForm(coef_mss,xwave_mss)
+        
+        Variable/G root:g_mss
+        g_mss := MultiShellForm(coef_mss,ywave_mss,xwave_mss)
         Display/K=1 ywave_mss vs xwave_mss
         ModifyGraph log=1,marker=29,msize=2,mode=4
@@ -30 +32 @@
 End
 
-Proc PlotSmearedMultiShell()                                                            
-        //no input parameters necessary, it MUST use the experimental q-values
-        // from the experimental data read in from an AVE/QSIG data file
+// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
+Proc PlotSmearedMultiShell(str)                                                         
+        String str
+        Prompt str,"Pick the data folder conatining the resolution you want",popup,getAList(4)
         
-        // if no gQvals wave, data must not have been loaded => abort
-        if(Exists("gQvals") != 2)               // 2 = string or numeric variable exists
-                Abort "6-column QSIG data not loaded. Use LoadQSIGData macro"
-        else
-                if(WaveExists($gQvals) ==0)     //wave ref does not exist
-                        Abort "6-column QSIG waves are missing. Re-load with LoadQSIGData macro"
-                endif
+        // 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 +51 @@
         // 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_mss,smeared_qvals                           
+        Duplicate/O $(str+"_q") smeared_mss,smeared_qvals                               
         SetScale d,0,0,"1/cm",smeared_mss                                                       
-
-        smeared_mss := SmearedMultiShell(smear_coef_mss,$gQvals)                
+                                        
+        Variable/G gs_mss=0
+        gs_mss := fSmearedMultiShell(smear_coef_mss,smeared_mss,smeared_qvals)  //this wrapper fills the STRUCT
+        
         Display/K=1 smeared_mss vs smeared_qvals                                                                        
         ModifyGraph log=1,marker=29,msize=2,mode=4
@@ -59 +62 @@
         Label left "Intensity (cm\\S-1\\M)"
         AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
+        
+        SetDataFolder root:
 End
 
-Function MultiShellForm(w,x) :FitFunc
+
+
+
+//AAO version, uses XOP if available
+// simply calls the original single point calculation with
+// a wave assignment (this will behave nicely if given point ranges)
+Function MultiShellForm(cw,yw,xw) : FitFunc
+        Wave cw,yw,xw
+        
+#if exists("MultiShellFormX")
+        yw = MultiShellFormX(cw,xw)
+#else
+        yw = fMultiShellForm(cw,xw)
+#endif
+        return(0)
+End
+
+Function fMultiShellForm(w,x) :FitFunc
         Wave w
         Variable x
@@ -136 +158 @@
 //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 fSmearedMultiShell(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 = SmearedMultiShell(fs)
+        
+        return (0)
+End
+
 // this is all there is to the smeared calculation!
-Function SmearedMultiShell(w,x) :FitFunc
-        Wave w
-        Variable x
+Function SmearedMultiShell(s) :FitFunc
+        Struct ResSmearAAOStruct &s
+
+//      the name of your unsmeared model (AAO) is the first argument
+        s.yW = Smear_Model_20(MultiShellForm,s.coefW,s.xW,s.resW)
+
+        return(0)
+End
         
-        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(MultiShellForm,$sq,$qb,$sh,$gQ,w,x)
-
-        return(ans)
-End