Changeset 1049

Timestamp:

Sep 4, 2013 10:19:20 AM (10 years ago)

Author:

vondreele

Message:

fix mask copying errors & missing image data items
implement UserCalibrants?.py as additional image calibration input

Location:

trunk

Files:

• GSASII.py (modified) (2 diffs)
• GSASIIimage.py (modified) (4 diffs)
• GSASIIimgGUI.py (modified) (5 diffs)
• ImageCalibrants.py (modified) (2 diffs)

trunk/GSASII.py

@@ -1367 +1367 @@
                             Data['calibrant'] = ''
                             Data['GonioAngles'] = [0.,0.,0.]
+                            Data['DetDepth'] = 0.
+                            Data['DetDepthRef'] = False
                         else:
                             Data['type'] = 'PWDR'
@@ -1382 +1384 @@
                             Data['ellipses'] = []
                             Data['GonioAngles'] = [0.,0.,0.]
+                            Data['DetDepth'] = 0.
+                            Data['DetDepthRef'] = False
                             Data['calibrant'] = ''
                             Data['IOtth'] = [2.0,5.0]

trunk/GSASIIimage.py

@@ -744 +744 @@
     import histogram2d as h2d
     print 'Begin image integration'
+    blkSize = 128               #this seems to be optimal
     LUtth = data['IOtth']
     LRazm = np.array(data['LRazimuth'],dtype=np.float64)
@@ -756 +757 @@
     imageN = len(image)
     Nx,Ny = data['size']
-    nXBlks = (Nx-1)/1024+1
-    nYBlks = (Ny-1)/1024+1
+    nXBlks = (Nx-1)/blkSize+1
+    nYBlks = (Ny-1)/blkSize+1
     Nup = nXBlks*nYBlks*3+3
     dlg = wx.ProgressDialog("Elapsed time","2D image integration",Nup,
@@ -766 +767 @@
         dlg.Update(Nup)
         for iBlk in range(nYBlks):
-            iBeg = iBlk*1024
-            iFin = min(iBeg+1024,Ny)
+            iBeg = iBlk*blkSize
+            iFin = min(iBeg+blkSize,Ny)
             for jBlk in range(nXBlks):
-                jBeg = jBlk*1024
-                jFin = min(jBeg+1024,Nx)                
-                print 'Process map block:',iBlk,jBlk,' limits:',iBeg,iFin,jBeg,jFin
+                jBeg = jBlk*blkSize
+                jFin = min(jBeg+blkSize,Nx)                
+#                print 'Process map block:',iBlk,jBlk,' limits:',iBeg,iFin,jBeg,jFin
                 TA,tam = Make2ThetaAzimuthMap(data,masks,(iBeg,iFin),(jBeg,jFin))           #2-theta & azimuth arrays & create position mask
                 
@@ -784 +785 @@
                 tax = np.where(tax < LRazm[0],tax+360.,tax)
                 NST,H0 = h2d.histogram2d(len(tax),tax,tay,taz,numAzms,numChans,LRazm,LUtth,Dazm,Dtth,NST,H0)
-                print 'block done'
+#                print 'block done'
                 del tax,tay,taz
                 Nup += 1

trunk/GSASIIimgGUI.py

@@ -45 +45 @@
     '''
     import ImageCalibrants as calFile
+    try:
+        import UserCalibrants as userFile
+        calFile.Calibrants.update(userFile.Calibrants)
+    except:
+        pass
 #patch
     if 'GonioAngles' not in data:
@@ -918 +923 @@
                         Source = name
                         Mask = copy.deepcopy(G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,id, 'Masks')))
-                        del Mask['Thresholds']
                     else:
                         TextList.append([False,name,id])
@@ -936 +940 @@
                         if ifcopy:
                             mask = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,id, 'Masks'))
+                            Mask['Thresholds'][0] = mask['Thresholds'][0]
+                            Mask['Thresholds'][1][1] = min(mask['Thresholds'][1][1],Mask['Thresholds'][1][1])
                             mask.update(Mask)                                
                             G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,id, 'Masks'),copy.deepcopy(mask))
@@ -964 +970 @@
                 File = open(filename,'r')
                 save = {}
+                oldThreshold = data['Thresholds'][0]
                 S = File.readline()
                 while S:
@@ -972 +979 @@
                     if key in ['Points','Rings','Arcs','Polygons','Thresholds']:
                         save[key] = eval(val)
+                        if key == 'Thresholds':
+                            save[key][0] = oldThreshold
+                            save[key][1][1] = min(oldThreshold[1],save[key][1][1])
                     S = File.readline()
                 data.update(save)

trunk/ImageCalibrants.py

@@ -1 @@
-'''
+"""
 *ImageCalibrants: Calibration Standards*
 ----------------------------------------
@@ -6 +6 @@
 calibrations for image data.
 
-'''
-#GSASII powder calibrants file; dictionary of substances commonly used for powder
-#calibrations. Each entry consists of:
-# 'name':(Bravais no,(a,b,c,alpha,beta,gamma),no. lines skipped,(dmin,pixLimit,cutOff)
-#Useful Bravais nos.: F-cubic=0,I-cubic=1,P-cubic=2,R3/m(hex)=3, P6=4, P4mmm=6
+Create your own in file UserCalibrants.py following the format shown here; 
+if you use the same names given here your entries will replace the corresponding
+ones given here.
+Each entry consists of:
+ 'name':(Bravais no,(a,b,c,alpha,beta,gamma),no. lines skipped,(dmin,pixLimit,cutOff)
+Useful Bravais nos.: F-cubic=0,I-cubic=1,P-cubic=2,R3/m(hex)=3, P6=4, P4mmm=6
+"""
 Calibrants={
 '':([0,],[(0,0,0,0,0,0),],0,(0,0,0)),