Changeset 844 for sans/Dev/trunk/NCNR_User_Procedures/Analysis/Alpha

Timestamp:

Mar 6, 2012 5:40:08 PM (11 years ago)

Author:

srkline

Message:

fixed model wave listings to allow save/freeze of the FFT-generated waves.

updated Real-space help file

load/save of FFT matrix buttons on main panel

Location:

sans/Dev/trunk/NCNR_User_Procedures/Analysis/Alpha/Tinker

Files:

• FFT_Fit_MixedDumbbell.ipf (modified) (11 diffs)
• FFT_Panel.ipf (modified) (9 diffs)

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

@@ -176 +176 @@
 End
 
+
+
+//
 //Function MixTest()
 //
@@ -182 +185 @@
 //      NVAR FFT_N = root:FFT_N
 //      NVAR FFT_SolventSLD = root:FFT_SolventSLD
+//      NVAR FFT_delRho = root:FFT_delRho               //the SLD multiplier, should have been initialized to 1e-7
 //      
 //      Variable rho1,rho2,rhos,radius1,radius2,ctr,separation,fill1,fill2
@@ -193 +197 @@
 //      separation = radius1 + radius2
 //      
-//      FFT_SolventSLD = trunc(rhos*1e6)                //spits back an integer, maybe not correct
+//      FFT_SolventSLD = trunc(rhos/FFT_delRho)         //spits back an integer, maybe not correct
 //
 //// generate the matrix and erase it
@@ -205 +209 @@
 //// with the input parameters, build the structure
 //      ctr = trunc(FFT_N/2)
-//      fill1 = trunc(rho1*1e6)
-//      fill2 = trunc(rho2*1e6)
+//      fill1 = trunc(rho1/FFT_delRho)
+//      fill2 = trunc(rho2/FFT_delRho)
 //      
 //      FillSphereRadius(m,FFT_T,radius1,ctr,ctr,ctr,fill1)
@@ -212 +216 @@
 //      
 //End
+//
 //
 //Function CoreShellTest()
@@ -219 +224 @@
 //      NVAR FFT_N = root:FFT_N
 //      NVAR FFT_SolventSLD = root:FFT_SolventSLD
+//      NVAR FFT_delRho = root:FFT_delRho               //the SLD multiplier, should have been initialized to 1e-7
 //      
 //      Variable rho1,rho2,rhos,radius1,radius2,ctr,separation,fill1,fill2
@@ -233 +239 @@
 //      ctr=50
 //      
-//      FFT_SolventSLD = trunc(rhos*1e6)                //spits back an integer, maybe not correct
+//      FFT_SolventSLD = trunc(rhos/FFT_delRho)         //spits back an integer, maybe not correct
 //
 //// generate the matrix and erase it
@@ -245 +251 @@
 //// with the input parameters, build the structure
 //      ctr = trunc(FFT_N/2)
-//      fill1 = trunc(rho1*1e6)
-//      fill2 = trunc(rho2*1e6)
+//      fill1 = trunc(rho1/FFT_delRho)
+//      fill2 = trunc(rho2/FFT_delRho)
 //      
 //      FillSphereRadius(m,FFT_T,radius2,ctr,ctr,ctr,fill2)
@@ -259 +265 @@
 //      NVAR FFT_N = root:FFT_N
 //      NVAR FFT_SolventSLD = root:FFT_SolventSLD
+//      NVAR FFT_delRho = root:FFT_delRho               //the SLD multiplier, should have been initialized to 1e-7
 //      
 //      Variable rcore,rhocore,thick1,rhoshel1,thick2,rhoshel2,thick3,rhoshel3,rhos,fill1,fill2,fill3,fillc,ctr
@@ -277 +284 @@
 ////    rhos += 3e-6
 //              
-//      FFT_SolventSLD = trunc(rhos*1e6)                //spits back an integer, maybe not correct
+//      FFT_SolventSLD = trunc(rhos/FFT_delRho)         //spits back an integer, maybe not correct
 //
 //// generate the matrix and erase it
@@ -289 +296 @@
 //// with the input parameters, build the structure
 //      ctr = trunc(FFT_N/2)
-//      fillc = trunc(rhocore*1e6)
-//      fill1 = trunc(rhoshel1*1e6)
-//      fill2 = trunc(rhoshel2*1e6)
-//      fill3 = trunc(rhoshel3*1e6)
+//      fillc = trunc(rhocore/FFT_delRho)
+//      fill1 = trunc(rhoshel1/FFT_delRho)
+//      fill2 = trunc(rhoshel2/FFT_delRho)
+//      fill3 = trunc(rhoshel3/FFT_delRho)
 //      
 //      FillSphereRadius(m,FFT_T,rcore+thick1+thick2+thick3,ctr,ctr,ctr,fill3)          //outer size (shell 3)

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

@@ -1 +1 @@
 #pragma rtGlobals=1             // Use modern global access method.
 
+//
 // utility functions and procedures for displaying information
 // setting the matrix, and doing the calculations
@@ -6 +7 @@
 
 
-
-///////////
-//
-// put the SLD multiplier on the panel somewhere - only 2 values are allowed - so use
-// radio buttons, or just display the value of the global, make the change at the command
-// line -- or keep the multiplier at 10^-7 and always use 2 digits (10^-7 is probably
-// better to use, just to allow more flexibility from the start). 
-
+//
 // TO DO:
-// -- I need to change a lot of routines (most notably Gizmo) to take "10" as the default SLD
+// x- I need to change a lot of routines (most notably Gizmo) to take "10" as the default SLD
 //               rather than "1"
 //
@@ -37 +31 @@
 //// if it all goes blank after the log transform get rid of the INF
 //dmatView = numtype(dmatView)== 0 ? dmatView : 0
+//
 //*************
 
@@ -69 +64 @@
 End
 
+
 Proc FFT_Panel() 
         PauseUpdate; Silent 1           // building window...
@@ -91 +87 @@
         Button FFTButton_4,pos={180,264},size={130,20},proc=FFT_PlotResultsButtonProc,title="Plot FFT Results"
         Button FFTButton_5,pos={13,218},size={120,20},proc=FFTDrawZCylinderButtonProc,title="Draw Cylinder"
-        Button FFTButton_6,pos={134,79},size={90,20},proc=FFTEraseMatrixButtonProc,title="Erase Matrix"
+//      Button FFTButton_6,pos={134,79},size={90,20},proc=FFTEraseMatrixButtonProc,title="Erase Matrix"
+        Button FFTButton_6a,pos={160,79},size={60,20},proc=FFTSaveMatrixButtonProc,title="Save"
+        Button FFTButton_6b,pos={240,79},size={60,20},proc=FFTLoadMatrixButtonProc,title="Load"
         Button FFTButton_7,pos={13,329},size={130,20},proc=FFT_BinnedSpheresButtonProc,title="Do Binned Debye"
         Button FFTButton_7a,pos={180,329},size={130,20},proc=FFT_PlotResultsButtonProc,title="Plot Binned Results"
@@ -114 +112 @@
         Button FFTButton_16,pos={14,460},size={70,20},proc=FFTHelpButton,title="Help"
 EndMacro
+
+// Save a matrix wave, plus the N, T, and solvent values in the wave note for reloading
+Function FFTSaveMatrixButtonProc(ba) : ButtonControl
+        STRUCT WMButtonAction &ba
+        
+        String win = ba.win
+
+        switch (ba.eventCode)
+                case 2:
+                        // click code here
+                        String fileStr=""
+                        SaveMyMatrix(fileStr)
+                        
+                        break
+        endswitch
+
+        return 0
+End
+
+// this will wave as Igor Binary, so be sure to use the ".ibw extension.
+// - this could possibly be enforced, but that's maybe not necessary at this stage.
+//
+Function SaveMyMatrix(fileStr)
+        String fileStr
+        
+        WAVE mat=root:mat
+        NVAR FFT_T = root:FFT_T
+        NVAR FFT_N = root:FFT_N
+        NVAR FFT_SolventSLD = root:FFT_SolventSLD
+        String str=""
+        sprintf str,"FFT_T=%g;FFT_N=%d;FFT_SolventSLD=%d;",FFT_T,FFT_N,FFT_SolventSLD
+        Note mat,str
+        Save/C/P=home mat as fileStr    //will ask for a file name, save as Igor Binary
+        Note/K mat                      //kill wave note on exiting since I don't properly update this anywhere else
+                        
+        return(0)
+end
+
+
+// load in a previously saved matrix, and reset FFT_N, FFT_T and solvent
+// from the wave note when saved
+Function FFTLoadMatrixButtonProc(ba) : ButtonControl
+        STRUCT WMButtonAction &ba
+        
+        String win = ba.win
+
+        switch (ba.eventCode)
+                case 2:
+                        // click code here
+                        String fileStr=""
+                        ReloadMatrix(fileStr)
+                        
+                        break
+        endswitch
+
+        return 0
+End
+
+
+Function ReloadMatrix(fileStr)
+        String fileStr
+        
+                LoadWave/M/O/W/P=home           fileStr         //will ask for a file, Igor Binary format is assumed here
+                String str
+                str=note(mat)
+                NVAR FFT_T = root:FFT_T
+                NVAR FFT_N = root:FFT_N
+                NVAR FFT_SolventSLD = root:FFT_SolventSLD
+                
+                FFT_T = NumberByKey("FFT_T", str, "=" ,";")
+                FFT_N = NumberByKey("FFT_N", str, "=" ,";")
+                FFT_SolventSLD = NumberByKey("FFT_SolventSLD", str, "=" ,";")
+
+// if I got bad values, put in default values                   
+                if(numtype(FFT_T) != 0 )
+                        FFT_T = 5
+                endif
+                if(numtype(FFT_N) != 0 )
+                        FFT_N = DimSize(mat,0)
+                endif
+                if(numtype(FFT_SolventSLD) != 0 )
+                        FFT_SolventSLD = 0
+                endif                   
+                
+                Execute "NumberOfPoints()"
+                        
+        return(0)
+end
 
 Function FFTHelpButton(ba) : ButtonControl
@@ -622 +708 @@
 End
 
+
+
+
+
+
 // The matrix is not necessarily 0|1, this reports the number of filled voxels
 // - needed to estimate the time required for the AltiVec_Spheres calculation
@@ -629 +720 @@
         Print "Fraction occupied = ",VolumeFraction_Occ(root:mat)
         Print "Overall Cube Edge [A] = ",root:FFT_T * root:FFT_N
+        Print "Found values in matrix = ",ListOfValues(root:mat)
         
 End
@@ -679 +771 @@
         return(num)
 End
+
+//
+// return a list of the different values of the voxels in the matrix
+//
+Function/S ListOfValues(m)
+        Wave m
+        
+        String list=""
+        Variable done
+
+        Duplicate/O m,mz
+        
+        done=0
+        do
+                WaveStats/Q/M=1 mz              // NaN and Inf are not reported in V_npnts
+                if(V_max == V_min)
+                        list += num2str(V_min) + ";"
+                        done = 1
+                else
+                        list += num2str(V_max) + ";"
+                        MultiThread mz = mz[p][q] == V_max ? V_min : mz[p][q]           // replace the max with min                     
+                endif
+        while(!done)    
+        
+//      Print "Found values in matrix = ",list
+        KillWaves/Z mz
+
+        return(list)
+End
+
+
 
 // returns estimate in seconds