Changeset 941 for sans/Dev/trunk/NCNR_User_Procedures/Analysis/Alpha/Tinker/FFT_KR_Parser.ipf

Timestamp:

Jun 4, 2014 4:01:26 PM (9 years ago)

Author:

srkline

Message:

Moved rescaling panel from Wrapper.ipf to PlotUtils?.ipf, a more natural location.

Added "Manual Optimization" utility to the SANS Models/1D operations menu. this is a simple panel that allows users to "optimize" the fit in 1 or 2 directions. Very instructive to see whether you're near a minimum, and what the chi2 surface looks like around the minimum.

Did a similar Manual Optimization for the Real-space MultiClyinder? calculations from Ken Rubinson. simpler interface here.

All of the "CGB" fixes are present here, including the calculation of the number of guides.

File:

• sans/Dev/trunk/NCNR_User_Procedures/Analysis/Alpha/Tinker/FFT_KR_Parser.ipf (modified) (3 diffs)

sans/Dev/trunk/NCNR_User_Procedures/Analysis/Alpha/Tinker/FFT_KR_Parser.ipf

@@ -373 +373 @@
 // sld = SLD of cylinder
 //
-//
-//
 // Put this into a panel with the table and the data
 // and fields for all of the inputs
@@ -414 +412 @@
 
 
+
+
 Function KR_Plot1DButtonProc(ba) : ButtonControl
         STRUCT WMButtonAction &ba
@@ -613 +613 @@
 
 /////////////////////////////////////
+//
+//
+// for the "manual" fitting
+//
+
+Proc Vary_One_Cyl_Param(waveStr,row,percent,numStep)
+// pick the wave and row and %
+        String waveStr="xx"
+        Variable row=1
+        Variable percent = 105
+        Variable numStep = 10
+        Prompt waveStr,"wave",popup,"xx;yy;zz;rri;hti;rotx;roty;sld;"
+
+        print waveStr
+        
+// dispatch to calculation
+        MultiCyl_Loop($waveStr,row,percent,numStep)
+        
+// plot the chi2_map
+        DoWindow/F MultiCyl_ChiMap
+        if(V_flag==0)
+                MultiCyl_ChiMap()
+        endif
+
+end
+
+Function MultiCyl_Loop(w,row,percent,numStep)
+        Wave w
+        Variable row,percent,numStep
+        
+        Variable loLim,hiLim,ii,minIndex,minChiSq
+        String folderStr
+        
+        Make/O/D/N=(numStep) chi2_map,testVals
+        Wave chi2_map=chi2_map
+        Wave testVals=testVals
+        
+        loLim = w[row] - percent*w[row]/100
+        hiLim = w[row] + percent*w[row]/100
+        testVals = loLim + x*(hiLim-loLim)/numStep
+
+//              the experimental data
+        ControlInfo/W=WrapperPanel popup_0
+        folderStr=S_Value
+        // wave references for the data (to pass)
+        String DF="root:"+folderStr+":" 
+        
+        WAVE yw=$(DF+folderStr+"_i")
+        WAVE xw=$(DF+folderStr+"_q")
+        WAVE sw=$(DF+folderStr+"_s")
+
+        duplicate/o yw, interpCalc,chi2_data
+        Wave chi2_data=chi2_data
+        Wave interpCalc=interpCalc
+                
+        STRUCT WMButtonAction ba
+        ba.eventCode = 2
+        
+// loop
+        for(ii=0;ii<numStep;ii+=1)
+//      set the value
+                w[row] = testVals[ii]
+//              generate the structure
+//
+                KR_GenerateButtonProc(ba)
+
+//              do the calculation
+                KR_DoCalcButtonProc(ba)
+
+                WAVE ival_KR=ival_KR
+                WAVE qval_KR=qval_KR
+                
+                interpCalc = interp(xw, qval_KR, ival_KR )
+                
+//              calculate chi-squared
+                chi2_data = (yw-interpCalc)^2
+                chi2_data /= sw^2
+        
+
+                Wavestats/Q chi2_data
+                chi2_map[ii] = V_avg * V_npnts
+// end loop
+        endfor
+
+// find the best chi squared
+        WaveStats/Q chi2_map
+// reset the value to the best
+        minIndex = V_minRowLoc
+        w[row] = testVals[minIndex]
+        
+        minChiSq = chi2_map[minIndex]
+        print "Minimum chi2 = ",minChiSq
+
+
+// and then recalculate at the best solution
+        KR_GenerateButtonProc(ba)
+
+//              do the calculation
+        KR_DoCalcButtonProc(ba)
+        
+        return(0)
+End
+
+Proc MultiCyl_ChiMap()
+        PauseUpdate; Silent 1           // building window...
+        Display /W=(35,44,466,414) chi2_map vs testVals
+        DoWindow/C MultiCyl_ChiMap
+        ModifyGraph mode=4
+        ModifyGraph marker=19
+        ModifyGraph msize=2
+        Label left "chi-squared"
+        Label bottom "test values"
+end
+
+//Function testKRPar()
+//      
+//      Variable row, col
+//      String wStr
+//      
+//      getParamFromKRSetup(row,col,wStr)
+//      Print row, col, wStr
+//      
+//      wStr = StringFromList(0, wStr)          // some wave "xx.d"
+//      wStr = StringFromList(0, wStr, ".")  // removes the ".d"
+//      Wave w=$wStr
+//      print w[row]
+//      
+//      Variable numStep,loLim,hiLim,percent
+//      numStep = 25
+//      percent = 50
+//      
+//      loLim = w[row] - percent*w[row]/100
+//      hiLim = w[row] + percent*w[row]/100
+//      
+//      
+//      Make/O/D/N=(numStep) testKRVals
+//      testKRVals = loLim + x*(hiLim-loLim)/numStep    
+//
+//      print testKRvals
+//      return(0)
+//      
+//End
+//
+//Function getParamFromKRSetup(row,col,wStr)
+//      Variable &row,&col
+//      String &wStr
+//      
+//      Variable parNum
+//      
+//      GetSelection table, MultiCyl#T0, 3
+//      row = V_startRow
+//      col = V_startCol
+//      Print S_Selection
+//      wStr = S_Selection
+//      
+//      
+//      return(0)
+//End
+
+Proc Vary_Two_Cyl_Param(waveStr,row,waveStr2,row2,percent,percent2,numStep)
+// pick the wave and row and %
+        String waveStr="xx"
+        Variable row=1
+        String waveStr2="rri"
+        Variable row2=0
+        Variable percent = 105
+        Variable percent2 = 50
+        Variable numStep=5
+        Prompt waveStr,"wave",popup,"xx;yy;zz;rri;hti;rotx;roty;sld;"
+        Prompt waveStr2,"wave2",popup,"xx;yy;zz;rri;hti;rotx;roty;sld;"
+        
+// dispatch to calculation
+        MultiCyl_Loop_2D($waveStr,row,$waveStr2,row2,percent,percent2,numStep)
+        
+// plot the chi2_map
+        DoWindow/F MultiCyl_ChiMap_2D
+        if(V_flag==0)
+                MultiCyl_ChiMap_2D()
+        else
+                //V_min*1.01 = the 1% neighborhood around the solution
+                WaveStats/Q chi2_Map_2D
+                ModifyImage/W=MultiCyl_ChiMap_2D chi2_Map_2D ctab= {(V_min*1.01),*,ColdWarm,0}
+                ModifyImage/W=MultiCyl_ChiMap_2D chi2_Map_2D minRGB=(0,65535,0),maxRGB=(0,65535,0)
+        endif
+
+end
+
+
+Function MultiCyl_Loop_2D(w,row,w2,row2,percent,percent2,numStep)
+        Wave w
+        Variable row
+        Wave w2
+        Variable row2,percent,percent2,numStep
+        
+        Variable loLim,hiLim,ii,jj,minIndex,minChiSq
+        String folderStr
+        
+        Make/O/D/N=(numStep,numStep) chi2_Map_2D
+        Make/O/D/N=(numStep) testVals,testVals2
+        Wave chi2_Map_2D=chi2_Map_2D
+        Wave testVals=testVals
+        Wave testVals2=testVals2
+        
+        testVals = 0
+        testVals2 = 0
+        chi2_Map_2D = 0
+        
+        
+        loLim = w[row] - percent*w[row]/100
+        hiLim = w[row] + percent*w[row]/100
+        testVals = loLim + x*(hiLim-loLim)/(numStep-1)
+//      Print lolim,hilim
+
+        SetScale/I x LoLim,HiLim,"", chi2_Map_2D
+
+        loLim = w2[row2] - percent2*w2[row2]/100
+        hiLim = w2[row2] + percent2*w2[row2]/100
+        testVals2 = loLim + x*(hiLim-loLim)/(numStep-1)
+//      Print lolim,hilim
+
+        SetScale/I y LoLim,HiLim,"", chi2_Map_2D
+
+
+//              the experimental data
+        ControlInfo/W=WrapperPanel popup_0
+        folderStr=S_Value
+        // wave references for the data (to pass)
+        String DF="root:"+folderStr+":" 
+        
+        WAVE yw=$(DF+folderStr+"_i")
+        WAVE xw=$(DF+folderStr+"_q")
+        WAVE sw=$(DF+folderStr+"_s")
+
+        duplicate/o yw, interpCalc,chi2_data
+        Wave chi2_data=chi2_data
+        Wave interpCalc=interpCalc
+        
+        STRUCT WMButtonAction ba
+        ba.eventCode = 2
+        
+// double loop
+        for(ii=0;ii<numStep;ii+=1)
+                Print "                 Outer Loop Index = ",ii," out of ",numStep
+                //set the value from the outer loop
+                w[row] = testVals[ii]
+
+                for(jj=0;jj<numStep;jj+=1)
+                
+        //      set the inner value
+                        w2[row2] = testVals2[jj]
+        //              generate the structure
+        //
+                        KR_GenerateButtonProc(ba)
+        
+        //              do the calculation
+                        KR_DoCalcButtonProc(ba)
+        
+                        WAVE ival_KR=ival_KR
+                        WAVE qval_KR=qval_KR
+                        
+                        interpCalc = interp(xw, qval_KR, ival_KR )
+                        
+        //              calculate chi-squared
+                        chi2_data = (yw-interpCalc)^2
+                        chi2_data /= sw^2
+                
+                        Wavestats/Q chi2_data
+                        chi2_Map_2D[ii][jj] = V_avg * V_npnts
+                        
+                endfor
+        endfor
+
+
+// find the best chi squared
+        WaveStats/Q chi2_Map_2D
+// reset the value to the best
+        w[row] = V_MinRowLoc
+        w2[row2] = V_MinColLoc  
+        
+        minChiSq = V_Min
+        print "Minimum chi2 = ",minChiSq
+
+// and then recalculate at the best solution
+        KR_GenerateButtonProc(ba)
+
+//              do the calculation
+        KR_DoCalcButtonProc(ba)
+        
+        return(0)
+End
+
+Proc MultiCyl_ChiMap_2D()
+        PauseUpdate; Silent 1           // building window...
+        Display /W=(35,44,466,414)
+        AppendImage chi2_Map_2D
+        DoWindow/C MultiCyl_ChiMap_2D
+        ModifyImage chi2_Map_2D ctab= {*,*,ColdWarm,0}
+        
+        //V_min*1.01 = the 1% neighborhood around the solution
+        WaveStats/Q chi2_Map_2D
+        ModifyImage/W=MultiCyl_ChiMap_2D chi2_Map_2D ctab= {(V_min*1.01),*,ColdWarm,0}
+        ModifyImage/W=MultiCyl_ChiMap_2D chi2_Map_2D minRGB=(0,65535,0),maxRGB=(0,65535,0)
+        
+        Label bottom "test values"
+        Label left "test values"
+end