Changeset 888 for sans/Dev/trunk/NCNR_User_Procedures/Reduction/SANS

Timestamp:

Jan 22, 2013 4:34:14 PM (10 years ago)

Author:

srkline

Message:

Changes to utility functions to properly list the raw data from the 10m SANS (SA4)

Added a utility function to patch BS xPos in 10m data files so that they will be recognized as transmission files. ICE is currently not writing out the BS xPos to the file. This is done in batch mode, similar to what was done for the 8m SANS.

Some changes to the simulation code to permit easier scripting.

Additions to SASCALC for the 10m SANS. Dimensions from John. Still need attenuator table and flux.

Location:

sans/Dev/trunk/NCNR_User_Procedures/Reduction/SANS

Files:

• MultScatter_MonteCarlo_2D.ipf (modified) (3 diffs)
• NCNR_Utils.ipf (modified) (2 diffs)
• SASCALC.ipf (modified) (2 diffs)
• Transmission.ipf (modified) (1 diff)

sans/Dev/trunk/NCNR_User_Procedures/Reduction/SANS/MultScatter_MonteCarlo_2D.ipf

@@ -966 +966 @@
 Function/S MC_FunctionPopupList()
         String list,tmp
-        list = User_FunctionPopupList()
+        list = User_FunctionPopupList()// + "EC_Empirical;"
         
         //simplify the display, forcing smeared calculations behind the scenes
@@ -1467 +1467 @@
         t0 = (stopMSTimer(-2) - t0)*1e-6
         t0 *= imon/1000/ThreadProcessorCount                    //projected time, in seconds (using threads for the calculation)
-        t0 *= 2         //empirical correction
+        t0 *= 2         //empirical correction, since processor count returns 8 for (4 real + 4 virtual)
         Print "Estimated Simulation time (s) = ",t0
         
@@ -2259 +2259 @@
 
 
+////
+//// plots an empirical empty cell scattering, also have a Two Level implementation in 
+//// the main MonteCarlo procedure file. The TwoLevel version is "calibrated" to give a more realistic
+//// count rate, but neither are suitable to be incorporated into a 2D simulation
+////
+// -- 2.2e-9 was the fitted value, again, empirically using 2.2e-8 to take into account
+//   that I need "enough" empty cell scattering from a sample that is say 1mm thick
+//
+Proc PlotEC_Empirical(num,qmin,qmax)
+        Variable num=256,qmin=0.001,qmax=0.7
+        Prompt num "Enter number of data points for model: "
+        Prompt qmin "Enter minimum q-value (A^-1) for model: "
+        Prompt qmax "Enter maximum q-value (A^-1) for model: "
+        
+        make/O/D/N=(num) xwave_ECEmp,ywave_ECEmp
+        xwave_ECEmp = alog( log(qmin) + x*((log(qmax)-log(qmin))/num) )
+        make/O/D coef_ECEmp = {2.2e-8,3.346,0.0065,9.0,0.016}
+        make/O/T parameters_ECEmp = {"A","power","scale","Rg (A)","bkg (cm-1)"}
+        Edit parameters_ECEmp,coef_ECEmp
+        
+        Variable/G root:g_ECEmp
+        g_ECEmp := EC_Empirical(coef_ECEmp,ywave_ECEmp,xwave_ECEmp)
+        Display ywave_ECEmp vs xwave_ECEmp
+        ModifyGraph marker=29,msize=2,mode=4,log=1
+        Label bottom "q (A\\S-1\\M)"
+        Label left "Intensity (cm\\S-1\\M)"
+        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
+        
+        AddModelToStrings("EC_Empirical","coef_ECEmp","parameters_ECEmp","ECEmp")
+End
+
+
+// as AAO for smeared version which is necessary
+Function EC_Empirical(cw,yw,xw) : FitFunc
+        Wave cw,yw,xw
+        
+        yw = fEC_Empirical(cw,xw)
+
+        return(0)
+End
+// a sum of a power law and debye to approximate the scattering from a real empty cell
+//
+Function fEC_Empirical(w,x) : FitFunc
+        Wave w
+        Variable x
+        
+        // variables are:
+        //[0] = A
+        //[1] = power m
+        //[2] scale factor
+        //[3] radius of gyration [A]
+        //[4] background        [cm-1]
+        
+        Variable scale,rg,bkg,aa,mm,Iq
+        aa = w[0]
+        mm = w[1]
+        scale = w[2]
+        rg = w[3]
+        bkg = w[4]
+        
+        // calculates (scale*debye)+bkg
+        Variable Pq,qr2
+        
+//      if(x*Rg < 1e-3)         //added Oct 2008 to avoid numerical errors at low arg values
+//              return(scale+bkg)
+//      endif
+        
+        Iq = aa*x^-mm
+        
+        qr2=(x*rg)^2
+        Pq = 2*(exp(-(qr2))-1+qr2)/qr2^2
+        
+        //scale
+        Pq *= scale
+        // then add the terms up
+        return (Iq + Pq + bkg)
+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 fSmearedEC_Empirical(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 = SmearedEC_Empirical(fs)
+        
+        return (0)
+End
+
+// this is all there is to the smeared calculation!
+Function SmearedEC_Empirical(s) :FitFunc
+        Struct ResSmearAAOStruct &s
+
+//      the name of your unsmeared model (AAO) is the first argument
+        Smear_Model_20(EC_Empirical,s.coefW,s.xW,s.yW,s.resW)
+
+        return(0)
+End
+        
+
+
+
+
+
+/////////////// end empirical EC model
+
+
 
 

sans/Dev/trunk/NCNR_User_Procedures/Reduction/SANS/NCNR_Utils.ipf

@@ -1863 +1863 @@
         list = RemoveFromList(ListMatch(list,"*.SA2*",";"), list, ";", 0)
         list = RemoveFromList(ListMatch(list,"*.SA3*",";"), list, ";", 0)
+        list = RemoveFromList(ListMatch(list,"*.SA4*",";"), list, ";", 0)               // added JAN 2013 for new guide hall
+        list = RemoveFromList(ListMatch(list,"*.SA5*",";"), list, ";", 0)
         list = RemoveFromList(ListMatch(list,".*",";"), list, ";", 0)
         list = RemoveFromList(ListMatch(list,"*.pxp",";"), list, ";", 0)
@@ -1907 +1909 @@
                         newlist += item + ";"
                 endif
+                if( stringmatch(item,"*.sa4*") )                // added JAN 2013 for new guide hall
+                        newlist += item + ";"
+                endif
+                if( stringmatch(item,"*.sa5*") )
+                        newlist += item + ";"
+                endif
                 //print "ii=",ii
         endfor

sans/Dev/trunk/NCNR_User_Procedures/Reduction/SANS/SASCALC.ipf

@@ -2124 +2124 @@
                         
         endswitch
-        Print "Ng = ",Ng
+//      Print "Ng = ",Ng
 
         Ng = abs(round(Ng))
@@ -2134 +2134 @@
 // slider and setVar are linked to the same global
 // updates the wave and changes the beamcenter (x,y) in the wave
+//
+// does not account for the fall due to gravity in y-direction
 Function detectorOffset()
         

sans/Dev/trunk/NCNR_User_Procedures/Reduction/SANS/Transmission.ipf

@@ -1629 +1629 @@
 EndMacro
 
+//
+// The proper list of transmission files MUST be present in the Patch Popup list
+// -- using Grep for "trans" is a possible choice
+//
+// testing only TODO_10m -- a quick fix for the missing BS xpos to identify trans
+Function BatchConvert_10mTrans(xPos)
+        Variable xPos                   //pass -10 to make it trans, pass 0 to make it scattering again
+        
+        //this will change (checked) values in ALL of the headers in the popup list
+        SVAR list = root:myGlobals:Patch:gPatchList
+        String partialName="", tempName = ""
+        Variable numitems,ii,ok
+        numitems = ItemsInList(list,";")
+        
+        //loop through all of the files in the list, applying changes as dictated by w and wt waves
+        ii=0
+        do
+                //get current item in the list
+                partialName = StringFromList(ii, list, ";")
+                   
+                //get a valid file based on this partialName and catPathName
+                tempName = FindValidFilename(partialName)
+        
+                //prepend path to tempName for read routine 
+                PathInfo catPathName
+                tempName = S_path + tempName
+        
+                //make sure the file is really a RAW data file
+                ok = CheckIfRawData(tempName)
+                if (!ok)
+                   Print "this file is not recognized as a RAW SANS data file = ",tempName
+                else
+                   //go write the changes to the file
+                   ChangeBSXPos(tempName,xPos)
+                Endif
+                
+                ii+=1
+        while(ii<numitems)
+        
+End
 
 /////