Changeset 3423

Timestamp:

Jun 6, 2018 8:28:50 AM (4 years ago)

Author:

vondreele

Message:

fix chemical composition restraint. Wasn't updating with new fracs after each cycle. Now OK.
new routine GetAtomFracById? in G2math called in G2strMath
fix a wx.wx.... bug in G2ctrlGUI!
fix G2testplot to use wx-Phoenix; ditto testSSymbols

Location:

trunk

Files:

• GSASIIctrlGUI.py (modified) (1 diff)
• GSASIImath.py (modified) (1 diff)
• GSASIIstrMath.py (modified) (1 diff)
• GSASIItestplot.py (modified) (1 diff)
• testSSymbols.py (modified) (1 diff)

trunk/GSASIIctrlGUI.py

@@ -3531 +3531 @@
             varSelSizer = wx.BoxSizer(wx.HORIZONTAL)
             varSelSizer.Add(SelCtrl,0)
-            varSpin = wx.SpinButton(self,style=wx.wx.SP_VERTICAL)
+            varSpin = wx.SpinButton(self,style=wx.SP_VERTICAL)
             varSpin.SetValue(0)
             varSpin.SetRange(-1,1)

trunk/GSASIImath.py

@@ -546 +546 @@
     return XYZ
     
-#def TransformAtoms(Atoms,cx,cia,Trans,Vec):
+def GetAtomFracByID(pId,parmDict,AtLookup,indx):
+    '''default doc string
+    
+    :param type name: description
+    
+    :returns: type name: description
+    
+    '''
+    pfx = str(pId)+'::Afrac:'
+    Frac = []
+    for ind in indx:
+        name = pfx+str(AtLookup[ind])
+        Frac.append(parmDict[name])
+    return Frac
+    
 #    for Atom in Atoms:
 #        XYZ = Atom[cx:cx+3]

trunk/GSASIIstrMath.py

@@ -373 +373 @@
                         pNames.append(str(pId)+':'+name+':'+str(i))
                         mul = np.array(G2mth.GetAtomItemsById(Atoms,AtLookup,indx,cs+1))
-                        frac = np.array(G2mth.GetAtomItemsById(Atoms,AtLookup,indx,cs-1))
+                        frac = np.array(G2mth.GetAtomFracByID(pId,parmDict,AtLookup,indx))
                         calc = np.sum(mul*frac*factors)
                         pVals.append(obs-calc)

trunk/GSASIItestplot.py

@@ -10 +10 @@
 import wx.aui
 import matplotlib as mpl
-from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as Canvas
-from matplotlib.backends.backend_wxagg import NavigationToolbar2Wx as Toolbar
+try:
+    from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as Canvas
+except ImportError:
+    from matplotlib.backends.backend_wx import FigureCanvas as Canvas
+try:
+    from matplotlib.backends.backend_wxagg import NavigationToolbar2Wx as Toolbar
+except ImportError:
+    from matplotlib.backends.backend_wxagg import Toolbar as Toolbar # name changes in wx4.0.1
 
 class Plot(wx.Panel):

trunk/testSSymbols.py

@@ -27 +27 @@
         self.testSSMenu = wx.MenuBar()
         self.File = wx.Menu(title='')
-        self.File.Append(help='Exit from testSS', id=wxID_FILEEXIT, kind=wx.ITEM_NORMAL,
-            text='Exit')
+        self.File.Append(wxID_FILEEXIT,'Exit','Exit from testSS')
         self.Bind(wx.EVT_MENU, self.OnFileExit, id=wxID_FILEEXIT)
         self.testSSMenu.Append(menu=self.File, title='Run')