Changeset 943 for sans/Dev/trunk/NCNR_User_Procedures/Analysis/Alpha/Tinker/FFT_FillMatrixShapes.ipf

Timestamp:

Jun 25, 2014 6:58:27 AM (9 years ago)

Author:

srkline

Message:

Added method to RealSpace? modeling to allow drawing a single cylidner with given center and arbitrary orientation.

Updated the Simulation help file to note that the simulation will work with a real space structure as the "model" input. In this way, there is no limitation on what can be simulated through SASCALC.

File:

• sans/Dev/trunk/NCNR_User_Procedures/Analysis/Alpha/Tinker/FFT_FillMatrixShapes.ipf (modified) (1 diff)

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

@@ -798 +798 @@
 End
 
+
+// takes XYZV values such as output from  Ken Rubinson's converter
+// where xyz may take negative values, and tries to put it into 
+// mat, shifting XYZ as needed
+//
+// now the xyz center is passed in (for a single object) that is treated as the center of that object
+//
+Function XYZV_FillMat_Centered(xx,yy,zz,xc,yc,zc,rad,len,val,erase)
+        Wave xx,yy,zz
+        Variable xc,yc,zc,rad,len
+        Wave val
+        Variable erase
+        
+        Variable x1,x2,y1,y2,z1,z2,ii,jj,kk,num,npt,minp,maxp
+        
+        WAVE mat = root:mat
+        NVAR solventSLD = root:FFT_SolventSLD
+        NVAR FFT_T=root:FFT_T
+
+        if(erase)
+                mat = solventSLD
+        endif
+        
+        num=numpnts(xx)
+        
+        for(ii=0;ii<num;ii+=1)
+                mat[xx[ii]][yy[ii]][zz[ii]] = val[ii]
+        endfor
+        
+        return(0)
+End
+
+
+
+
+///// replaced by XYZV_FillMat_Centered() after using Ken's routines, but may have some use in the future
+//
 // takes XYZV values such as output from  Ken Rubinson's converter
 // where xyz may take negative values, and tries to put it into