Changeset 1667

Timestamp:

Feb 23, 2015 4:09:20 PM (8 years ago)

Author:

vondreele

Message:

fix bug in load mask ignore thresholds
inner/outer image limits now in 2-theta of q depending of binType.

Location:

trunk

Files:

• GSASIIgrid.py (modified) (2 diffs)
• GSASIIimgGUI.py (modified) (6 diffs)

trunk/GSASIIgrid.py

@@ -71 +71 @@
 [ wxID_ATOMSEDITADD, wxID_ATOMSEDITINSERT, wxID_ATOMSEDITDELETE, wxID_ATOMSREFINE, 
     wxID_ATOMSMODIFY, wxID_ATOMSTRANSFORM, wxID_ATOMSVIEWADD, wxID_ATOMVIEWINSERT,
-    wxID_RELOADDRAWATOMS,wxID_ATOMSDISAGL,wxID_ATOMMOVE,
+    wxID_RELOADDRAWATOMS,wxID_ATOMSDISAGL,wxID_ATOMMOVE,wxID_MAKEMOLECULE,
     wxID_ASSIGNATMS2RB,wxID_ATOMSPDISAGL, wxID_ISODISP,
-] = [wx.NewId() for item in range(14)]
+] = [wx.NewId() for item in range(15)]
 
 [ wxID_DRAWATOMSTYLE, wxID_DRAWATOMLABEL, wxID_DRAWATOMCOLOR, wxID_DRAWATOMRESETCOLOR, 
@@ -1987 +1987 @@
         self.AtomEdit.Append(id=wxID_ATOMSTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
             help='Select atoms to transform first')
+        self.AtomEdit.Append(id=wxID_MAKEMOLECULE, kind=wx.ITEM_NORMAL,text='Assemble molecule',
+            help='Assemble molecule from scatterd atom positions')
         self.AtomEdit.Append(id=wxID_RELOADDRAWATOMS, kind=wx.ITEM_NORMAL,text='Reload draw atoms',
             help='Reload atom drawing list')

trunk/GSASIIimgGUI.py

@@ -528 +528 @@
         def OnNewBinType(event):
             data['binType'] = binSel.GetValue()
+            wx.CallAfter(UpdateImageControls,G2frame,data,masks)
         
         def OnIOtth(event):
@@ -534 +535 @@
             if Ltth > Utth:
                 Ltth,Utth = Utth,Ltth
-            data['IOtth'] = [Ltth,Utth]
+            if 'q' in data['binType']:
+                data['IOtth'] = [2.*asind(Ltth*wave/(4.*math.pi)),2.*asind(Utth*wave/(4.*math.pi))]
+            else:
+                data['IOtth'] = [Ltth,Utth]
             G2frame.InnerTth.SetValue("%8.3f" % (Ltth))
-            G2frame.OuterTth.SetValue("%8.2f" % (Utth))
+            G2frame.OuterTth.SetValue("%8.3f" % (Utth))
             G2plt.PlotExposedImage(G2frame,event=event)
         
@@ -671 +675 @@
         binSel.Bind(wx.EVT_COMBOBOX, OnNewBinType)
         dataSizer.Add(binSel,0,WACV)
-        dataSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Inner/Outer 2-theta'),0,WACV)            
-        IOtth = data['IOtth']
+        binType = '2-theta'
+        if 'q' in data['binType']:
+            binType = 'q'
+        dataSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Inner/Outer '+binType),0,WACV)            
+        IOtth = data['IOtth'][:]
+        if 'q' in data['binType']:
+            wave = data['wavelength']
+            IOtth = [4.*math.pi*sind(IOtth[0]/2.)/wave,4.*math.pi*sind(IOtth[1]/2.)/wave]
         littleSizer = wx.BoxSizer(wx.HORIZONTAL)
         G2frame.InnerTth = wx.TextCtrl(parent=G2frame.dataDisplay,
@@ -1042 +1052 @@
 
     def Replot(*args,**kwargs):
-        G2plt.PlotExposedImage(G2frame)        
+        G2plt.PlotExposedImage(G2frame,newPlot=True)        
 
     def onDeleteMask(event):
@@ -1131 +1141 @@
                     [key,val] = S[:-1].split(':')
                     if key in ['Points','Rings','Arcs','Polygons','Frames','Thresholds']:
-                        if ignoreThreshold and key == 'Thresholds': continue
+                        if ignoreThreshold and key == 'Thresholds':
+                            S = File.readline() 
+                            continue
                         save[key] = eval(val)
                         if key == 'Thresholds':
@@ -1326 +1338 @@
     if frame:
         lbl = wx.StaticText(parent=G2frame.dataDisplay,
-            label=' Frame mask (on plot RB vertex drag to move,\nLB vertex drag to insert)')
+            label=' Frame mask (on plot RB vertex drag to move,LB vertex drag to insert)')
         lbl.SetBackgroundColour(wx.Colour(200,200,210))
         mainSizer.Add(lbl,0,wx.EXPAND|wx.ALIGN_CENTER,0)