Changeset 273

Timestamp:

May 2, 2011 5:16:06 PM (12 years ago)

Author:

vondreele

Message:

output of S(Q) and G(R) as files for other use
some effort to fix graphics tab behavior

Location:

trunk

Files:

• GSASII.py (modified) (1 diff)
• GSASIIIO.py (modified) (1 diff)
• GSASIIgrid.py (modified) (1 diff)
• GSASIIplot.py (modified) (6 diffs)
• GSASIIpwdGUI.py (modified) (1 diff)

trunk/GSASII.py

@@ -1236 +1236 @@
     def OnExportPDF(self,event):
         #need S(Q) and G(R) to be saved here - probably best from selection?
-        event.Skip()
+        names = ['All']
+        exports = []
+        item, cookie = self.PatternTree.GetFirstChild(self.root)
+        while item:
+            name = self.PatternTree.GetItemText(item)
+            if 'PDF' in name:
+                names.append(name)
+            item, cookie = self.PatternTree.GetNextChild(self.root, cookie)
+        if names:
+            dlg = wx.MultiChoiceDialog(self,'Select','PDF patterns to export',names)
+            if dlg.ShowModal() == wx.ID_OK:
+                sel = dlg.GetSelections()
+                if sel[0] == 0:
+                    exports = names[1:]
+                else:
+                    for x in sel:
+                        exports.append(names[x])
+            dlg.Destroy()
+        if exports:
+            G2IO.PDFSave(self,exports)
         
     def OnExportPhase(self,event):

trunk/GSASIIIO.py

@@ -895 +895 @@
             wx.EndBusyCursor()
         print 'powder pattern file written'
+        
+def PDFSave(self,exports):    
+    for export in exports:
+        PickId = G2gd.GetPatternTreeItemId(self, self.root, export)
+        SQname = 'S(Q)'+export[4:]
+        GRname = 'G(R)'+export[4:]
+        sqfilename = ospath.join(self.dirname,export.replace(' ','_')[5:]+'.sq')
+        grfilename = ospath.join(self.dirname,export.replace(' ','_')[5:]+'.gr')
+        sqId = G2gd.GetPatternTreeItemId(self, PickId, SQname)
+        grId = G2gd.GetPatternTreeItemId(self, PickId, GRname)
+        sqdata = np.array(self.PatternTree.GetItemPyData(sqId)[1][:2]).T
+        grdata = np.array(self.PatternTree.GetItemPyData(grId)[1][:2]).T
+        sqfile = open(sqfilename,'w')
+        grfile = open(grfilename,'w')
+        sqfile.write('#T S(Q) %s\n'%(export))
+        grfile.write('#T G(R) %s\n'%(export))
+        sqfile.write('#L Q     S(Q)\n')
+        grfile.write('#L R     G(R)\n')
+        for q,sq in sqdata:
+            sqfile.write("%15.6g %15.6g\n" % (q,sq))
+        sqfile.close()
+        for r,gr in grdata:
+            grfile.write("%15.6g %15.6g\n" % (r,gr))
+        grfile.close()
     
 def PeakListSave(self,file,peaks):

trunk/GSASIIgrid.py

@@ -205 +205 @@
         parent.Append(help='Copy PDF controls', id=wxID_PDFCOPYCONTROLS, kind=wx.ITEM_NORMAL,
             text='Copy controls')
-        parent.Append(help='Load PDF controls from file',id=wxID_PDFLOADCONTROLS, kind=wx.ITEM_NORMAL,
-            text='Load Controls')
-        parent.Append(help='Save PDF controls to file', id=wxID_PDFSAVECONTROLS, kind=wx.ITEM_NORMAL,
-            text='Save controls')
+#        parent.Append(help='Load PDF controls from file',id=wxID_PDFLOADCONTROLS, kind=wx.ITEM_NORMAL,
+#            text='Load Controls')
+#        parent.Append(help='Save PDF controls to file', id=wxID_PDFSAVECONTROLS, kind=wx.ITEM_NORMAL,
+#            text='Save controls')
         self.PDFCompute = parent.Append(help='Compute PDF', id=wxID_PDFCOMPUTE, kind=wx.ITEM_NORMAL,
             text='Compute PDF')

trunk/GSASIIplot.py

@@ -1795 +1795 @@
     def OnMouseMove(event):
         newxy = event.GetPosition()
+        page = getSelection()
         if event.ControlDown() and drawingData['showABC']:
             if event.LeftIsDown():
-                ctrlDown = True
                 SetTestRot(newxy)
             elif event.RightIsDown():
@@ -1803 +1803 @@
             elif event.MiddleIsDown():
                 SetTestRotZ(newxy)
+            x,y,z = drawingData['testPos'][0]
+            self.G2plotNB.status.SetStatusText('moving test point %.4f,%.4f,%.4f'%(x,y,z),1)
                 
                 
@@ -1808 +1810 @@
             if event.LeftIsDown():
                 SetRotation(newxy)
+                angX,angY,angZ = drawingData['Rotation'][:3]
+                self.G2plotNB.status.SetStatusText('New rotation: %.2f, %.2f ,%.2f'%(angX,angY,angZ),1)
             elif event.RightIsDown():
                 SetTranslation(newxy)
+                Tx,Ty,Tz = drawingData['viewPoint'][0]
+                self.G2plotNB.status.SetStatusText('New view point: %.4f, %.4f, %.4f'%(Tx,Ty,Tz),1)
             elif event.MiddleIsDown():
                 SetRotationZ(newxy)
+                angX,angY,angZ = drawingData['Rotation'][:3]
+                self.G2plotNB.status.SetStatusText('New rotation: %.2f, %.2f, %.2f'%(angX,angY,angZ),1)
         Draw()
         
@@ -1817 +1825 @@
         drawingData['cameraPos'] += event.GetWheelRotation()/24
         drawingData['cameraPos'] = max(10,min(500,drawingData['cameraPos']))
-        page = self.dataDisplay.GetSelection()
+        self.G2plotNB.status.SetStatusText('New camera distance: %.2f'%(drawingData['cameraPos']),1)
+        page = getSelection()
         if page:
             if self.dataDisplay.GetPageText(page) == 'Draw Options':
@@ -1827 +1836 @@
         
     def getSelection():
-        if self.dataDisplay:
+        try:
             return self.dataDisplay.GetSelection()
-        else:
+        except AttributeError:
+            print self.dataDisplay.GetLabel()
+            self.G2plotNB.status.SetStatusText('Select this from Phase data window!')
             return 0
             
@@ -2172 +2183 @@
             RenderBox()
         if drawingData['showABC']:
-#            try:            #temporary fix - not needed further?
-#                x,y,z = drawingData['testPos'][0]
-#            except TypeError:
-#                x,y,z = drawingData['testPos']
             x,y,z = drawingData['testPos'][0]
-            if altDown:
-                self.G2plotNB.status.SetStatusText('moving test point %.4f,%.4f,%.4f'%(x,y,z),1)
-            else:
-                self.G2plotNB.status.SetStatusText('test point %.4f,%.4f,%.4f'%(x,y,z),1)            
+#            if altDown:
+#                self.G2plotNB.status.SetStatusText('moving test point %.4f,%.4f,%.4f'%(x,y,z),1)
+#            else:
+#                self.G2plotNB.status.SetStatusText('test point %.4f,%.4f,%.4f'%(x,y,z),1)            
             RenderUnitVectors(x,y,z)
         Backbone = []

trunk/GSASIIpwdGUI.py

@@ -1091 +1091 @@
     wave = 12.397639/keV
     qLimits = [tth2q(fullLimits[0],wave),tth2q(fullLimits[1],wave)]
-    data['QScaleLim'][0] = max(qLimits[0],data['QScaleLim'][0])
     data['QScaleLim'][1] = min(qLimits[1],data['QScaleLim'][1])
+    if data['QScaleLim'][0]:
+        data['QScaleLim'][0] = max(qLimits[0],data['QScaleLim'][0])
+    else:                                #initial setting at 90% of max Q
+        data['QScaleLim'][0] = 0.90*data['QScaleLim'][1]
     polariz = inst['Polariz.']
     azimuth = inst['Azimuth']