Changeset 1633

Timestamp:

Jan 22, 2015 10:09:11 AM (8 years ago)

Author:

vondreele

Message:

fix wx 3.0.x problem with Size on Progress bars in G2phsGUI & G2pwdGUI
4D charge flipping fixes - allow shifting 4D contour map L/R

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (6 diffs)
• GSASIIplot.py (modified) (6 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)

trunk/GSASIIphsGUI.py

@@ -2081 +2081 @@
             waveSizer.Add(waveHead)
             if len(waveBlk):
-                CSI = G2spc.GetSSfxuinel(xyz,uij,SGData,SSGData)
                 for iwave,wave in enumerate(waveBlk):
+                    if not iwave:
+                        CSI = G2spc.GetSSfxuinel(waveType,xyz,uij,SGData,SSGData)
+                    else:
+                        CSI = G2spc.GetSSfxuinel('Fourier',xyz,uij,SGData,SSGData)
                     waveName = 'Fourier'
                     if Stype == 'Sfrac':
@@ -2190 +2193 @@
                         if generalData['Type'] != 'magnetic' and Stype == 'Smag':
                             break
-                        mainSizer.Add(WaveSizer(atom[-1][SS]['waveType'],atom[-1][SS][Stype],Stype,typeNames[Stype],Labels[Stype]))
-                        
+                        mainSizer.Add(WaveSizer(atom[-1][SS]['waveType'],atom[-1][SS][Stype],Stype,typeNames[Stype],Labels[Stype]))                        
         SetPhaseWindow(G2frame.dataFrame,waveData,mainSizer)
                        
@@ -2198 +2200 @@
         mapData = generalData['4DmapData']
         reflName = mapData['RefList']
+        generalData['Map']['Flip'] = False
         if not reflName:
             G2frame.ErrorDialog('Fourier map','No reflections defined for Fourier map')
@@ -5034 +5037 @@
             screenSize = wx.ClientDisplayRect()
             Size = pgbar.GetSize()
-            Size = (int(Size[0]*1.2),Size[1]) # increase size a bit along x
-            pgbar.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
-            pgbar.SetSize(Size)
+            if 50 < Size[0] < 500: # sanity check on size, since this fails w/Win & wx3.0
+                pgbar.SetSize((int(Size[0]*1.2),Size[1])) # increase size a bit along x
+                pgbar.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
         else:
             pgbar = None
@@ -5626 +5629 @@
         screenSize = wx.ClientDisplayRect()
         Size = pgbar.GetSize()
-        Size = (int(Size[0]*1.2),Size[1]) # increase size a bit along x
-        pgbar.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
-        pgbar.SetSize(Size)
+        if 50 < Size[0] < 500: # sanity check on size, since this fails w/Win & wx3.0
+            pgbar.SetSize((int(Size[0]*1.2),Size[1])) # increase size a bit along x
+            pgbar.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
         try:
             newMap,new4Dmap = G2mth.SSChargeFlip(data,reflDict,pgbar)
@@ -5674 +5677 @@
         screenSize = wx.ClientDisplayRect()
         Size = pgbar.GetSize()
-        Size = (int(Size[0]*1.2),Size[1]) # increase size a bit along x
-        pgbar.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
-        pgbar.SetSize(Size)
+        if 50 < Size[0] < 500: # sanity check on size, since this fails w/Win & wx3.0
+            pgbar.SetSize((int(Size[0]*1.2),Size[1])) # increase size a bit along x
+            pgbar.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
         try:
             mapData.update(G2mth.ChargeFlip(data,reflDict,pgbar))

trunk/GSASIIplot.py

@@ -2853 +2853 @@
                 ccof.append(spos[0][3:])
         wave += G2mth.posFourier(tau,np.array(scof),np.array(ccof))
-    Title = MapType+' modulation map for atom '+atom[0]+    \
+    if mapData['Flip']:
+        Title = 'Charge flip'
+    else:
+        Title = MapType
+    Title += ' map for atom '+atom[0]+    \
         ' at %.4f %.4f %.4f'%(atxyz[0],atxyz[1],atxyz[2])
     ix = -np.array(np.rint(rhoSize[:3]*atxyz),dtype='i')
@@ -2873 +2877 @@
     Plot.set_xlabel('t')
     Plot.set_ylabel(r'$\mathsf{\Delta}$%s'%(Ax))
-    Slab = np.concatenate((slab,slab),axis=1)
-    Plot.contour(Slab,20,extent=(0.,2.,-.5+Off*.005,.5+Off*.005))
+    Slab = np.hstack((slab,slab,slab))
+    Plot.contour(Slab[:,:21],20,extent=(0.,2.,-.5+Off*.005,.5+Off*.005))
     Page.canvas.draw()
    
@@ -4032 +4036 @@
     B4mat = np.concatenate((np.concatenate((Bmat,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
     SGData = generalData['SGData']
+    if generalData['Type'] in ['modulated','magnetic']:
+        SSGData = generalData['SSGData']
     Mydir = generalData['Mydir']
     atomData = data['Atoms']
@@ -4108 +4114 @@
     shiftDown = False
     ctrlDown = False
+    G2frame.tau = 0.
     
     def OnKeyBox(event):
@@ -4215 +4222 @@
             SetPeakRoll(dirDict[key])
             SetMapPeaksText(mapPeaks)
+        elif key in ['+','-','0'] and generalData['Type'] in ['modulated','magnetic']:
+            if key == '0':
+                G2frame.tau = 0.
+            elif key =='+':
+                G2frame.tau += 0.05
+            elif key =='-':
+                G2frame.tau -= 0.05
+            G2frame.tau %= 1.   #force 0-1 range
         Draw('key')
             
@@ -4991 +5006 @@
     else:
         choice = [' save as/key:','jpeg','tiff','bmp','c: center on 1/2,1/2,1/2','n: next','p: previous']
+    if generalData['Type'] in ['modulated','magnetic',] and len(drawAtoms):
+        choice += ['+: increase tau','-: decrease tau','0: set tau = 0']
+
     cb = wx.ComboBox(G2frame.G2plotNB.status,style=wx.CB_DROPDOWN|wx.CB_READONLY,choices=choice)
     cb.Bind(wx.EVT_COMBOBOX, OnKeyBox)

trunk/GSASIIpwdGUI.py

@@ -452 +452 @@
                 screenSize = wx.ClientDisplayRect()
                 Size = dlg.GetSize()
-                dlg2.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
+                if 50 < Size[0] < 500: # sanity check on size, since this fails w/Win & wx3.0
+                    dlg2.SetSize((int(Size[0]*1.2),Size[1])) # increase size a bit along x
+                    dlg2.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
                 try:
                     peaks['sigDict'],result,sig,Rvals,varyList,parmDict,fullvaryList,badVary = G2pwd.DoPeakFit(FitPgm,peaks['peaks'],
@@ -511 +513 @@
         screenSize = wx.ClientDisplayRect()
         Size = dlg.GetSize()
-        dlg.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
+        if 50 < Size[0] < 500: # sanity check on size, since this fails w/Win & wx3.0
+            dlg.SetSize((int(Size[0]*1.2),Size[1])) # increase size a bit along x
+            dlg.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
         try:
             peaks['sigDict'] = G2pwd.DoPeakFit(FitPgm,peaks['peaks'],background,limits,inst,inst2,data,[],oneCycle,controls,dlg)[0]