Changeset 537 for trunk/GSASIIIO.py

Timestamp:

Apr 13, 2012 11:34:34 AM (11 years ago)

Author:

vondreele

Message:

some refactoring/rearrangement in GSASIIgrid.py
fixes to powderFxyeSave
move Fourier & map search math to GSASIImath.py
implement plot of map peaks & their move to atom list
begin charge flipping GUI

File:

• trunk/GSASIIIO.py (modified) (4 diffs)

trunk/GSASIIIO.py

@@ -490 +490 @@
         All files (*.*)|*.*',wx.OPEN|wx.CHANGE_DIR)
         try:
-            dlg.SetFilename(ospath.split(imagefile)[1])
+            dlg.SetFilename(''+ospath.split(imagefile)[1])
             if dlg.ShowModal() == wx.ID_OK:
                 imagefile = dlg.GetPath()
@@ -916 +916 @@
     head,tail = ospath.split(powderfile)
     name,ext = tail.split('.')
-    wx.BeginBusyCursor()
     for i,export in enumerate(exports):
         filename = ospath.join(head,name+'-%03d.'%(i)+ext)
@@ -943 +942 @@
         file = open(filename,'w')
         print 'save powder pattern to file: ',filename
-        try:
-            x,y,w,yc,yb,yd = G2frame.PatternTree.GetItemPyData(PickId)[1]
-            file.write(powderfile+'\n')
-            file.write('BANK 1 %d %d CONS %.2f %.2f 0 0 FXYE\n'%(len(x),len(x),\
-                100.*x[0],100.*(x[1]-x[0])))
-            s = list(np.sqrt(1./np.array(w)))        
-            XYW = zip(x,y,s)
-            for X,Y,S in XYW:
-                file.write("%15.6g %15.6g %15.6g\n" % (100.*X,Y,max(S,1.0)))
-            file.close()
-        finally:
-            wx.EndBusyCursor()
-        print 'powder pattern file written'
+        x,y,w,yc,yb,yd = G2frame.PatternTree.GetItemPyData(PickId)[1]
+        file.write(powderfile+'\n')
+        file.write('Instrument parameter file:'+ospath.split(prmname)[1]+'\n')
+        file.write('BANK 1 %d %d CONS %.2f %.2f 0 0 FXYE\n'%(len(x),len(x),\
+            100.*x[0],100.*(x[1]-x[0])))
+        s = list(np.sqrt(1./np.array(w)))        
+        XYW = zip(x,y,s)
+        for X,Y,S in XYW:
+            file.write("%15.6g %15.6g %15.6g\n" % (100.*X,Y,max(S,1.0)))
+        file.close()
+        print 'powder pattern file '+filename+' written'
         
 def powderXyeSave(G2frame,exports,powderfile):
@@ -966 +963 @@
         file.write('#%s\n'%(export))
         print 'save powder pattern to file: ',filename
-        wx.BeginBusyCursor()
-        try:
-            x,y,w,yc,yb,yd = G2frame.PatternTree.GetItemPyData(PickId)[1]
-            s = list(np.sqrt(1./np.array(w)))        
-            XYW = zip(x,y,s)
-            for X,Y,W in XYW:
-                file.write("%15.6g %15.6g %15.6g\n" % (X,Y,W))
-            file.close()
-        finally:
-            wx.EndBusyCursor()
-        print 'powder pattern file written'
+        x,y,w,yc,yb,yd = G2frame.PatternTree.GetItemPyData(PickId)[1]
+        s = list(np.sqrt(1./np.array(w)))        
+        XYW = zip(x,y,s)
+        for X,Y,W in XYW:
+            file.write("%15.6g %15.6g %15.6g\n" % (X,Y,W))
+        file.close()
+        print 'powder pattern file '+filename+' written'
         
 def PDFSave(G2frame,exports):