Changeset 2940 for branch

Timestamp:

Jul 22, 2017 11:51:59 AM (6 years ago)

Author:

vondreele

Message:

fix rigid body GUI display
remove an extra SetAutoLayout?
fix plotting problem for new MCSA model entry
make sure import phase from gp is clean (no maps, map peaks, rigid bodies, etc.)

Location:

branch/2frame

Files:

• GSASIIconstrGUI.py (modified) (6 diffs)
• GSASIIdataGUI.py (modified) (1 diff)
• GSASIImath.py (modified) (2 diffs)
• GSASIIphsGUI.py (modified) (1 diff)
• GSASIIplot.py (modified) (1 diff)
• GSASIIrestrGUI.py (modified) (1 diff)
• imports/G2phase_GPX.py (modified) (2 diffs)

branch/2frame/GSASIIconstrGUI.py

@@ -1310 +1310 @@
     resList = []
     plotDefaults = {'oldxy':[0.,0.],'Quaternion':[0.,0.,0.,1.],'cameraPos':30.,'viewDir':[0,0,1],}
+
+    G2frame.rbBook = G2G.GSNoteBook(parent=G2frame.dataWindow)
+    G2frame.dataWindow.GetSizer().Add(G2frame.rbBook,1,wx.ALL|wx.EXPAND)
+    VectorRB = wx.ScrolledWindow(G2frame.rbBook)
+    VectorRBDisplay = wx.Panel(VectorRB)
+    G2frame.rbBook.AddPage(VectorRB,'Vector rigid bodies')
+    ResidueRB = wx.ScrolledWindow(G2frame.rbBook)
+    ResidueRBDisplay = wx.Panel(ResidueRB)
+    G2frame.rbBook.AddPage(ResidueRB,'Residue rigid bodies')
     
     def OnPageChanged(event):
@@ -1759 +1768 @@
                 for col in [4,5,6]:
                     vecGrid.SetCellStyle(row,col,VERY_LIGHT_GREY,True)
-            vecGrid.SetMargins(0,0)
+            vecGrid.SetScrollRate(0,0)
             vecGrid.AutoSizeColumns(False)
             vecSizer.Add(vecGrid)
@@ -1776 +1785 @@
             
         if VectorRB.GetSizer(): VectorRB.GetSizer().Clear(True)
-        VectorRBDisplay = wx.Panel(VectorRB)
         VectorRBSizer = wx.BoxSizer(wx.VERTICAL)
         for rbId in data['RBIds']['Vector']:
@@ -1922 +1930 @@
                 for col in range(5):
                     vecGrid.SetCellStyle(row,col,VERY_LIGHT_GREY,True)
-            vecGrid.SetMargins(0,0)
+            vecGrid.SetScrollRate(0,0)
             vecGrid.AutoSizeColumns(False)
             vecSizer = wx.BoxSizer()
@@ -2051 +2059 @@
                 refChoice[rbId][i].sort()     
             
-        if ResidueRB.GetSizer(): ResidueRB.GetSizer().Clear(True)
-        ResidueRBDisplay = wx.Panel(ResidueRB)
+        ResidueRBDisplay.DestroyChildren()
         ResidueRBSizer = wx.BoxSizer(wx.VERTICAL)
         for rbId in data['RBIds']['Residue']:
@@ -2085 +2092 @@
 
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.RigidBodyMenu)
-    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Rigid bodies')
     G2frame.SetTitle('Rigid bodies')
     SetStatusLine('')
-    #G2frame.rbBook = G2G.GSNoteBook(parent=G2frame.dataWindow,size=G2frame.dataWindow.GetClientSize())
-    G2frame.rbBook = G2G.GSNoteBook(parent=G2frame.dataWindow)
-    G2frame.dataWindow.GetSizer().Add(G2frame.rbBook,1,wx.ALL|wx.EXPAND)
-
-    VectorRB = wx.ScrolledWindow(G2frame.rbBook)
-    G2frame.rbBook.AddPage(VectorRB,'Vector rigid bodies')
-    ResidueRB = wx.ScrolledWindow(G2frame.rbBook)
-    G2frame.rbBook.AddPage(ResidueRB,'Residue rigid bodies')
     UpdateVectorRB()
     G2frame.rbBook.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CHANGED, OnPageChanged)

branch/2frame/GSASIIdataGUI.py

@@ -6099 +6099 @@
     mainSizer.FitInside(G2frame.dataWindow)    
     G2frame.dataWindow.SetSizer(mainSizer)
-    G2frame.dataWindow.SetAutoLayout(1)
     G2frame.SetDataSize()
      

branch/2frame/GSASIImath.py

@@ -4019 +4019 @@
         sched.slope = data['log slope']
     sched.T0 = data['Annealing'][0]
+    if not sched.T0:
+        sched.T0 = 50.
     Tf = data['Annealing'][1]
+    if not Tf:
+        Tf = 0.001
     Tsched = [sched.T0,]
     while Tsched[-1] > Tf:
@@ -4646 +4650 @@
                 'args':(refs,rcov,cosTable,ifInv,allFF,RBdata,varyList,parmDict)},callback=MCSAcallback)
     else:
+        T0 = MCSA['Annealing'][0]
+        if not T0:
+            T0 = None
         results = anneal(mcsaCalc,x0,args=(refs,rcov,cosTable,ifInv,allFF,RBdata,varyList,parmDict),
             schedule=MCSA['Algorithm'], full_output=True,dwell=MCSA['Annealing'][2],maxiter=10000,
-            T0=MCSA['Annealing'][0], Tf=MCSA['Annealing'][1],
+            T0=T0, Tf=MCSA['Annealing'][1],
             quench=MCSA['fast parms'][0], c=MCSA['fast parms'][1], 
             lower=lower, upper=upper, slope=MCSA['log slope'],ranStart=MCSA.get('ranStart',False),

branch/2frame/GSASIIphsGUI.py

@@ -7850 +7850 @@
         data['MCSA']['rbData'] = rbData
         data['MCSA']['AtInfo'].update(rbData[rbType]['AtInfo'])
-        G2plt.PlotStructure(G2frame,data)
         UpdateMCSA()
+        wx.CallAfter(G2plt.PlotStructure,G2frame,data)
         
     def OnMCSAclear(event):

branch/2frame/GSASIIplot.py

@@ -5450 +5450 @@
 
     # PlotStructure initialization here
+    global mcsaXYZ,mcsaTypes,mcsaBonds
     ForthirdPI = 4.0*math.pi/3.0
     generalData = data['General']

branch/2frame/GSASIIrestrGUI.py

@@ -881 +881 @@
 
         BondRestr.SetSizer(mainSizer)
-        #Size = mainSizer.GetMinSize()
-        #print 'BondRestr',Size
-        #Size = mainSizer.Fit(BondRestr)
-        #Size[0] = 600
-        #Size[1] = min(Size[1]+50,500)       #make room for tab, but not too big
-        #BondRestr.SetSize(Size)
-        #Size[0] += 40
-        #BondRestr.SetScrollbars(10,10,Size[0]/10-4,Size[1]/10-1)
-        #BondRestr.Scroll(0,0)
         G2phsGUI.SetPhaseWindow(BondRestr,mainSizer,Scroll=0)
         

branch/2frame/imports/G2phase_GPX.py

@@ -57 +57 @@
             selblk = 0
         else:                       # choose from options                
-            selblk = G2IO.PhaseSelector(
-                phasenames,
-                ParentFrame=ParentFrame,
-                title= 'Select a phase from the list below',
-                )
+            selblk = G2IO.PhaseSelector(phasenames,ParentFrame=ParentFrame,
+                title= 'Select a phase from the list below',)
             if selblk is None:
                 self.errors = 'No phase selected'
@@ -68 +65 @@
         self.Phase['Histograms'] = {}       #remove any histograms
         self.Phase['Pawley ref'] = []       # & any Pawley refl.
+        self.Phase['RBModels'] = {}
+        del self.Phase['MCSA']
+        del self.Phase['Map Peaks']
+        del self.Phase['General']['Map']
         self.Phase['ranId'] = ran.randint(0,sys.maxint)
         return True