Changeset 2544

Timestamp:

Nov 21, 2016 4:40:02 PM (7 years ago)

Author:

vondreele

Message:

major cleanup of unused variables, etc.

Location:

trunk

Files:

• GSASII.py (modified) (13 diffs)
• GSASIIIO.py (modified) (12 diffs)
• GSASIIconstrGUI.py (modified) (15 diffs)
• GSASIIgrid.py (modified) (1 diff)
• GSASIImath.py (modified) (29 diffs)
• GSASIIphsGUI.py (modified) (45 diffs)
• GSASIIplot.py (modified) (93 diffs)
• GSASIIpwdGUI.py (modified) (20 diffs)
• GSASIIspc.py (modified) (10 diffs)

trunk/GSASII.py

@@ -1103 +1103 @@
 
         ibanks = int(Iparm.get('INS   BANK  ','1').strip())
-        hType = Iparm['INS   HTYPE '].strip()
         if ibanks == 1: # there is only one bank here, return it
             rd.instbank = 1
@@ -1651 +1650 @@
         while item: # loop over (new) phases
             iph += 1
-            phaseName = self.PatternTree.GetItemText(item)
             data = self.PatternTree.GetItemPyData(item)
             item, cookie = self.PatternTree.GetNextChild(sub, cookie)
@@ -1818 +1816 @@
         while item: # loop over (new) phases
             iph += 1
-            phaseName = self.PatternTree.GetItemText(item)
             data = self.PatternTree.GetItemPyData(item)
             item, cookie = self.PatternTree.GetNextChild(sub, cookie)
@@ -1888 +1885 @@
         if len(rdlist) == 0: return
         self.CheckNotebook()
-        Iparm = None
-        lastdatafile = ''
         newHistList = []
         self.EnablePlot = False
         for rd in rdlist:
-            lastdatafile = rd.smallangleentry[0]
             HistName = rd.idstring
             HistName = 'SASD '+HistName
@@ -2123 +2117 @@
                 path,rootname = os.path.split(filename)
                 pkg = os.path.splitext(rootname)[0]
-                try:
-                    fp = None
-                    fp, fppath,desc = imp.find_module(pkg,[path,])
-                    pkg = imp.load_module(pkg,fp,fppath,desc)
-                    for clss in inspect.getmembers(pkg): # find classes defined in package
-                        if clss[0].startswith('_'): continue
-                        if inspect.isclass(clss[1]):
-                            # check if we have the required methods
-                            for m in 'Exporter','loadParmDict':
-                                if not hasattr(clss[1],m): break
-                                if not callable(getattr(clss[1],m)): break
-                            else:
-                                exporter = clss[1](self) # create an export instance
-                                self.exporterlist.append(exporter)
-                except AttributeError:
-                    print 'Import_'+errprefix+': Attribute Error'+str(filename)
-                    pass
-                except ImportError:
-                    print 'Import_'+errprefix+': Error importing file'+str(filename)
-                    pass
+#                try:
+                fp = None
+                fp, fppath,desc = imp.find_module(pkg,[path,])
+                pkg = imp.load_module(pkg,fp,fppath,desc)
+                for clss in inspect.getmembers(pkg): # find classes defined in package
+                    if clss[0].startswith('_'): continue
+                    if inspect.isclass(clss[1]):
+                        # check if we have the required methods
+                        for m in 'Exporter','loadParmDict':
+                            if not hasattr(clss[1],m): break
+                            if not callable(getattr(clss[1],m)): break
+                        else:
+                            exporter = clss[1](self) # create an export instance
+                            self.exporterlist.append(exporter)
+#                except AttributeError:
+#                    print 'Import_'+errprefix+': Attribute Error'+str(filename)
+#                    pass
+#                except ImportError:
+#                    print 'Import_'+errprefix+': Error importing file'+str(filename)
+#                    pass
                 if fp: fp.close()
         # Add submenu item(s) for each Exporter by its self-declared type (can be more than one)
@@ -2468 +2462 @@
             if pltNum >= 0:                         #to avoid the startup with no plot!
                 pltPage = self.G2plotNB.nb.GetPage(pltNum)
-                pltPlot = pltPage.figure
             item = event.GetItem()
             G2gd.MovePatternTreeToGrid(self,item)
@@ -2564 +2557 @@
     def OnReadPowderPeaks(self,event):
         'Bound to menu Data/Read Powder Peaks'
-        Cuka = 1.54052
         self.CheckNotebook()
         pth = G2G.GetImportPath(self)
@@ -2777 +2769 @@
         TextList = []
         DataList = []
-        SumList = []
         Names = []
         Inst = None
-        SumItemList = []
         Comments = ['Sum equals: \n']
         if self.PatternTree.GetCount():
@@ -2881 +2871 @@
         TextList = []
         DataList = []
-        SumList = []
         Names = []
-        Inst = []
-        SumItemList = []
         Comments = ['Sum equals: \n']
         if self.PatternTree.GetCount():
@@ -3101 +3088 @@
         DelItemList = []
         nItems = {'PWDR':0,'SASD':0,'IMG':0,'HKLF':0,'PDF':0}
-        ifPWDR = False
-        ifSASD = False
-        ifIMG = False
-        ifHKLF = False
-        ifPDF = False
         if self.PatternTree.GetCount():
             item, cookie = self.PatternTree.GetFirstChild(self.root)
@@ -3112 +3094 @@
                 if name not in ['Notebook','Controls','Covariance','Constraints',
                     'Restraints','Phases','Rigid bodies'] or 'Sequential' not in name:
-                    if 'PWDR' in name: ifPWDR = True; nItems['PWDR'] += 1
-                    if 'SASD' in name: ifSASD = True; nItems['SASD'] += 1
-                    if 'IMG' in name: ifIMG = True; nItems['IMG'] += 1
-                    if 'HKLF' in name: ifHKLF = True; nItems['HKLF'] += 1
-                    if 'PDF' in name: ifPDF = True; nItems['PDF'] += 1
+                    if 'PWDR' in name: nItems['PWDR'] += 1
+                    if 'SASD' in name: nItems['SASD'] += 1
+                    if 'IMG' in name:  nItems['IMG'] += 1
+                    if 'HKLF' in name: nItems['HKLF'] += 1
+                    if 'PDF' in name:  nItems['PDF'] += 1
                     TextList.append(name)
                 item, cookie = self.PatternTree.GetNextChild(self.root, cookie)
@@ -3449 +3431 @@
         '''Calculates PDFs
         '''
-        sind = lambda x: math.sin(x*math.pi/180.)
-        tth2q = lambda t,w:4.0*math.pi*sind(t/2.0)/w
         TextList = []
         PDFlist = []
@@ -3966 +3946 @@
                 'Python version error',  wx.OK)
             try:
-                result = dlg.ShowModal()
+                dlg.ShowModal()
             finally:
                 dlg.Destroy()

trunk/GSASIIIO.py

@@ -289 +289 @@
     G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Comments'),Comments)
     Imax = np.amax(Image)
-    Imin = max(0.0,np.amin(Image))          #force positive
     if G2frame.imageDefault:
         Data = copy.copy(G2frame.imageDefault)
@@ -387 +386 @@
                 errorReport += ': '+rd.errors
                 continue
-        rdbuffer = {} # create temporary storage for file reader
         if imageOnly:
             ParentFrame = None # prevent GUI access on reread
@@ -540 +538 @@
 def GetEdfData(filename,imageOnly=False):    
     'Read European detector data edf file'
-    import struct as st
-    import array as ar
     if not imageOnly:
         print 'Read European detector data edf file: ',filename
@@ -600 +596 @@
 def GetRigaku(filename,imageOnly=False):
     'Read Rigaku R-Axis IV image file'
-    import struct as st
     import array as ar
     if not imageOnly:
@@ -632 +627 @@
 def GetImgData(filename,imageOnly=False):
     'Read an ADSC image file'
-    import struct as st
     import array as ar
     if not imageOnly:
@@ -663 +657 @@
     data = {'pixelSize':pixel,'wavelength':wave,'distance':distance,'center':center,'size':[size,size]}
     image = []
-    row = 0
     pos = 512
     File.seek(pos)
     image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
-    image = np.reshape(image,(sizexy[1],sizexy[0]))
+    image = np.reshape(image,(size,size))
 #    image = np.zeros(shape=(size,size),dtype=np.int32)    
 #    while row < size:
@@ -684 +677 @@
 def GetMAR345Data(filename,imageOnly=False):
     'Read a MAR-345 image plate image'
-    import array as ar
-    import struct as st
     try:
         import pack_f as pf
@@ -699 +690 @@
     File = open(filename,'rb')
     head = File.read(4095)
-    numbers = st.unpack('<iiiiiiiiii',head[:40])
     lines = head[128:].split('\n')
     head = []
@@ -870 +860 @@
         X = 4.*np.pi*npsind(X/2.)/data['wavelength']    #convert to q
     Xminmax = [X[0],X[-1]]
-    LRazm = data['LRazimuth']
     Azms = []
     dazm = 0.
@@ -1019 +1008 @@
         dlg = wx.MessageDialog(G2frame, 'No peaks!', 'Nothing to save!', wx.OK)
         try:
-            result = dlg.ShowModal()
+            dlg.ShowModal()
         finally:
             dlg.Destroy()
@@ -1037 +1026 @@
             dlg = wx.MessageDialog(G2frame, 'No peaks!', 'Nothing to save!', wx.OK)
             try:
-                result = dlg.ShowModal()
+                dlg.ShowModal()
             finally:
                 dlg.Destroy()
@@ -2576 +2565 @@
         Layer['Layers'].append({'Name':Struct[N],'SameAs':'','Symm':Symm,'Atoms':[]})
         N += 2
-        iatm = 0
         while 'layer' not in Struct[N]:
             atom = Struct[N][4:].split()

trunk/GSASIIconstrGUI.py

@@ -458 +458 @@
                 l2 = max(l2,len(i2))
             fmt = "{:"+str(l1)+"s} {:"+str(l2)+"s} {:s}"
-            atchoice = [fmt.format(*i) for i in choices]
+            atchoice = [fmt.format(*i1) for i1 in choices]
             dlg = G2G.G2MultiChoiceDialog(
                 G2frame.dataFrame,legend,
@@ -688 +688 @@
                                 parent=G2frame.dataFrame)
             return
-        legend = "Select variables to make equivalent (only one of the variables will be varied when all are set to be varied)"
+#        legend = "Select variables to make equivalent (only one of the variables will be varied when all are set to be varied)"
         GetAddVars(page,title1,title2,varList,constrDictEnt,'equivalence')
         
@@ -701 +701 @@
                                 parent=G2frame.dataFrame)
             return
-        legend = "Select atoms to make equivalent (only one of the atom variables will be varied when all are set to be varied)"
+#        legend = "Select atoms to make equivalent (only one of the atom variables will be varied when all are set to be varied)"
         GetAddAtomVars(page,title1,title2,varList,constrDictEnt,'equivalence')
         
@@ -714 +714 @@
                                 parent=G2frame.dataFrame)
             return
-        legend = "Select atoms to ride (only one of the atom variables will be varied when all are set to be varied)"
+#        legend = "Select atoms to ride (only one of the atom variables will be varied when all are set to be varied)"
         GetAddAtomVars(page,title1,title2,varList,constrDictEnt,'riding')
    
@@ -727 +727 @@
                                 parent=G2frame.dataFrame)
             return
-        legend = "Select variables to include in a new variable (the new variable will be varied when all included variables are varied)"
+#        legend = "Select variables to include in a new variable (the new variable will be varied when all included variables are varied)"
         GetAddVars(page,title1,title2,varList,constrDictEnt,'function')
                         
@@ -740 +740 @@
                                 parent=G2frame.dataFrame)
             return
-        legend = "Select variables to include in a constraint equation (the values will be constrainted to equal a specified constant)"
+#        legend = "Select variables to include in a constraint equation (the values will be constrainted to equal a specified constant)"
         GetAddVars(page,title1,title2,varList,constrDictEnt,'constraint')
 
@@ -1398 +1398 @@
         if dlg.ShowModal() == wx.ID_OK:
             nAtoms,nTrans = dlg.GetValues()
-            vectorRB = data['Vector']
             rbId = ran.randint(0,sys.maxint)
             vecMag = [1.0 for i in range(nTrans)]
@@ -1467 +1466 @@
         rbTypes = []
         rbXYZ = []
-        rbSeq = []
         atNames = []
         txtStr = text.readline()
@@ -1589 +1587 @@
         if dlg.ShowModal() == wx.ID_OK:
             Orig = dlg.GetSelection()
-            xyz = XYZ[Orig]
             TargList = neighDict[atNames[Orig]]
         dlg.Destroy()
@@ -1618 +1615 @@
                 event.Skip()
                 Obj = event.GetEventObject()
-                rbId = Indx[Obj.GetId()]
                 rbData['RBname'] = Obj.GetValue()
                 
@@ -1631 +1627 @@
             def OnPlotRB(event):
                 Obj = event.GetEventObject()
-                rbId = Indx[Obj.GetId()]
                 Obj.SetValue(False)
                 G2plt.PlotRigidBody(G2frame,'Vector',AtInfo,rbData,plotDefaults)
@@ -1727 +1722 @@
 
             def TypeSelect(event):
-                Obj = event.GetEventObject()
                 AtInfo = data['Vector']['AtInfo']
                 r,c = event.GetRow(),event.GetCol()
@@ -1744 +1738 @@
 
             def ChangeCell(event):
-                Obj = event.GetEventObject()
                 r,c =  event.GetRow(),event.GetCol()
                 if r >= 0 and (0 <= c < 3):
@@ -1832 +1825 @@
             def OnRBName(event):
                 Obj = event.GetEventObject()
-                rbId = Indx[Obj.GetId()]
                 rbData['RBname'] = Obj.GetValue()
                 
@@ -1844 +1836 @@
             def OnPlotRB(event):
                 Obj = event.GetEventObject()
-                rbId = Indx[Obj.GetId()]
                 Obj.SetValue(False)
                 G2plt.PlotRigidBody(G2frame,'Residue',AtInfo,rbData,plotDefaults)

trunk/GSASIIgrid.py

@@ -2249 +2249 @@
         self.AtomsMenu.Append(menu=self.AtomCompute, title='Compute')
         submenu = wx.Menu()
-        self.AtomEdit.AppendMenu(wx.ID_ANY, 'Atoms selection...', submenu, 
+        self.AtomEdit.AppendMenu(wx.ID_ANY, 'On selected atoms...', submenu, 
             help='Set/Act on selected atoms')
         submenu.Append(wxID_ATOMSSETSEL,

trunk/GSASIImath.py

@@ -15 +15 @@
 
 '''
-import sys
-import os
-import os.path as ospath
 import random as rn
 import numpy as np
 import numpy.linalg as nl
 import numpy.ma as ma
-import cPickle
 import time
 import math
@@ -213 +209 @@
 
     def getNeighbors(atom,radius):
-        neighList = []  
         Dx = UAtoms-np.array(atom[cx:cx+3])
         dist = ma.masked_less(np.sqrt(np.sum(np.inner(Amat,Dx)**2,axis=0)),0.5) #gets rid of disorder "bonds" < 0.5A
@@ -495 +490 @@
     Tatoms = GetAtomsById(Atoms,AtLookUp,AddHydId[1])
     TXYZ = np.array([tatom[cx:cx+3] for tatom in Tatoms]) #3 x xyz
-    DX = np.inner(Amat,TXYZ-OXYZ).T
     if nBonds == 4:
         if AddHydId[-1] == 1:
@@ -633 +627 @@
         XYZ = np.inner(Amat,atom[cx:cx+3])
         Axyz = np.array([ 0,XYZ[2],-XYZ[1], -XYZ[2],0,XYZ[0], XYZ[1],-XYZ[0],0],ndmin=2 )
-        if 'U' in TSLtype:
+        if 'U' in TLStype:
             atom[cia+1] = TLS[0]
             atom[cia] = 'I'
@@ -1132 +1126 @@
     '''
     glTau,glWt = pwd.pygauleg(0.,1.,ngl)         #get Gauss-Legendre intervals & weights
-    dT = 2./ngl
-    dX = 0.0001
     waveShapes = [FSSdata.T.shape,XSSdata.T.shape,USSdata.T.shape]
     Af = np.array(FSSdata[0]).T    #sin frac mods x waves x atoms
@@ -1429 +1421 @@
 #          area += w[i]*f(x[i])                                    
 
-import math
 def gaulegf(a, b, n):
   x = range(n+1) # x[0] unused
@@ -1510 +1501 @@
         return 0.
     pId = distance_dict['pId']
-    pfx = '%d::'%(pId)
     A = [parmDict['%s::A%d'%(pId,i)] for i in range(6)]
     Amat = G2lat.cell2AB(G2lat.A2cell(A))[0]
@@ -1534 +1524 @@
         return None
     pId = distance_dict['pId']
-    pfx = '%d::'%(pId)
     A = [parmDict['%s::A%d'%(pId,i)] for i in range(6)]
     Amat = G2lat.cell2AB(G2lat.A2cell(A))[0]
@@ -1549 +1538 @@
         return 0.
     pId = angle_dict['pId']
-    pfx = '%d::'%(pId)
     A = [parmDict['%s::A%d'%(pId,i)] for i in range(6)]
     Amat = G2lat.cell2AB(G2lat.A2cell(A))[0]
@@ -1581 +1569 @@
         return None
     pId = angle_dict['pId']
-    pfx = '%d::'%(pId)
     A = [parmDict['%s::A%d'%(pId,i)] for i in range(6)]
     Amat = G2lat.cell2AB(G2lat.A2cell(A))[0]
@@ -2034 +2021 @@
         return np.sqrt(np.sum(V1**2))
         
-    Inv = []
     SyOps = []
     names = []
@@ -2048 +2034 @@
     sig = -0.001
     if 'covMatrix' in covData:
-        parmNames = []
         dx = .00001
         dadx = np.zeros(6)
@@ -2091 +2076 @@
         return acosd(cang)
 
-    Inv = []
     SyOps = []
     names = []
@@ -2105 +2089 @@
     sig = -0.01
     if 'covMatrix' in covData:
-        parmNames = []
         dx = .00001
         dadx = np.zeros(9)
@@ -2149 +2132 @@
         M = np.array([V1,V2,V3])
         D = nl.det(M)
-        Ang = 1.0
         P12 = np.dot(V1,V2)
         P13 = np.dot(V1,V3)
@@ -2156 +2138 @@
         return Tors
             
-    Inv = []
     SyOps = []
     names = []
@@ -2170 +2151 @@
     sig = -0.01
     if 'covMatrix' in covData:
-        parmNames = []
         dx = .00001
         dadx = np.zeros(12)
@@ -2240 +2220 @@
         M = np.array([V1,V2,V3])
         D = nl.det(M)
-        Ang = 1.0
         P12 = np.dot(V1,V2)
         P13 = np.dot(V1,V3)
@@ -2247 +2226 @@
         return Tors
             
-    Inv = []
     SyOps = []
     names = []
@@ -2268 +2246 @@
     sig = sigVals[M-3]
     if 'covMatrix' in covData:
-        parmNames = []
         dx = .00001
         N = M*3
@@ -2600 +2577 @@
                 phasep = complex(a,b)
                 phasem = complex(a,-b)
-                Fo = np.sqrt(Fosq)
                 if '2Fo-Fc' in mapData['MapType']:
                     F = 2.*np.sqrt(Fosq)-np.sqrt(Fcsq)
@@ -2828 +2804 @@
     DH = []
     Dphi = []
-    SGMT = np.array([ops[0].T for ops in SGData['SGOps']])
-    SGT = np.array([ops[1] for ops in SGData['SGOps']])
     Hmax = 2*np.asarray(G2lat.getHKLmax(3.5,SGData,A),dtype='i')
     for F in Flist:
@@ -3055 +3029 @@
     SGData = generalData['SGData']
     SSGData = generalData['SSGData']
-    SGMT = np.array([ops[0].T for ops in SGData['SGOps']])
-    SGT = np.array([ops[1] for ops in SGData['SGOps']])
     SSGMT = np.array([ops[0].T for ops in SSGData['SSGOps']])
     SSGT = np.array([ops[1] for ops in SSGData['SSGOps']])
@@ -3240 +3212 @@
         return Vec,Hess
         
-    phaseName = generalData['Name']
     SGData = generalData['SGData']
     Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
@@ -3283 +3254 @@
         x1 = result[0]
         if not np.any(x1 < 0):
-            mag = x1[0]
             peak = (np.array(x1[1:4])-ind)/incre
         peak = fixSpecialPos(peak,SGData,Amat)
@@ -3330 +3300 @@
                             
     generalData = data['General']
-    cell = generalData['Cell'][1:7]
     Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
-    A = G2lat.cell2A(cell)
     SGData = generalData['SGData']
     mapPeaks = data['Map Peaks']
@@ -3365 +3333 @@
                             
     generalData = data['General']
-    cell = generalData['Cell'][1:7]
     Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
-    A = G2lat.cell2A(cell)
     SGData = generalData['SGData']
     mapPeaks = data['Map Peaks']
@@ -3585 +3551 @@
 
 import numpy
-from numpy import asarray, tan, exp, ones, squeeze, sign, \
-     all, log, sqrt, pi, shape, array, minimum, where
+from numpy import asarray, tan, exp, squeeze, sign, \
+     all, log, pi, shape, array, where
 from numpy import random
 
@@ -4267 +4233 @@
     MCSA = generalData['MCSA controls']
     reflName = MCSA['Data source']
-    phaseName = generalData['Name']
     MCSAObjs = data['MCSA']['Models']               #list of MCSA models
     upper = []

trunk/GSASIIphsGUI.py

@@ -24 +24 @@
 import wx
 import wx.grid as wg
-import wx.lib.gridmovers as wgmove
-import wx.wizard as wz
 import wx.lib.scrolledpanel as wxscroll
 import matplotlib as mpl
@@ -32 +30 @@
 import sys
 import random as ran
-import cPickle
 import GSASIIpath
 GSASIIpath.SetVersionNumber("$Revision$")
@@ -51 +48 @@
 import GSASIIctrls as G2G
 import GSASIIconstrGUI as G2cnstG
-import atmdata
 import numpy as np
 import numpy.linalg as nl
-import numpy.ma as ma
 
 VERY_LIGHT_GREY = wx.Colour(235,235,235)
@@ -565 +560 @@
                 except ValueError:
                     if ObjId < 3:               #bad cell edge - reset
-                        value = controls[6+ObjId]
+                        value = cell[ObjId+1]
                     else:                       #bad angle
                         value = 90.
@@ -944 +939 @@
             modS = G2spc.splitSSsym(generalData['SuperSg'])[0]
             generalData['SuperVec'][0],ifShow = G2spc.SSGModCheck(generalData['SuperVec'][0],modS)
-            vec = generalData['SuperVec'][0]
             for i,[val,show] in enumerate(zip(generalData['SuperVec'][0],ifShow)):
                 if show:
@@ -1154 +1148 @@
             
         def MCSASizer():
-            Ind = {}
             
             def OnRefList(event):
@@ -1202 +1195 @@
                 MCSAdata['ranStart'] = ranStart.GetValue()
                 
-            def OnAutoRan(event):
-                MCSAdata['autoRan'] = autoRan.GetValue()
+#            def OnAutoRan(event):
+#                MCSAdata['autoRan'] = autoRan.GetValue()
                 
             def OnRanRange(event):
@@ -1800 +1793 @@
         generalData = data['General']
         SpnFlp = generalData['SGData'].get('SpnFlp',[])
-        OprNames = generalData['SGData'].get('OprNames',[])
+#        OprNames = generalData['SGData'].get('OprNames',[])
 #        print OprNames
 #        print SpnFlp
 #        print generalData['SGData'].get('MagMom',[])
         atomData = data['Atoms']
-        DData = data['Drawing']
         resRBData = data['RBModels'].get('Residue',[])
         vecRBData = data['RBModels'].get('Vector',[])
@@ -1894 +1886 @@
         atomData = data['Atoms']
         generalData = data['General']
-        Ncol = Atoms.GetNumberCols()
         atId = ran.randint(0,sys.maxint)
         E,SGData = G2spc.SpcGroup(generalData['SGData']['SpGrp'])
@@ -2038 +2029 @@
                 
     def OnHydAtomUpdate(event):
-        Error = ''
         generalData = data['General']
         cx,ct,cs,cia = generalData['AtomPtrs']
@@ -2134 +2124 @@
         atomData = data['Atoms']
         generalData = data['General']
-        Ncol = Atoms.GetNumberCols()
         E,SGData = G2spc.SpcGroup(generalData['SGData']['SpGrp'])
         Sytsym,Mult = G2spc.SytSym([x,y,z],SGData)[:2]
@@ -2392 +2381 @@
         G2plt.PlotStructure(G2frame,data)
             
-    def AtomRotate(event):
-        '''Currently not used - Bind commented out below
-        '''
-        Units = {'':np.zeros(3),
-            'xy':np.array([[i,j,0] for i in range(3) for j in range(3)])-np.array([1,1,0]),
-            'xz':np.array([[i,0,j] for i in range(3) for j in range(3)])-np.array([1,1,0]),
-            'yz':np.array([[0,i,j] for i in range(3) for j in range(3)])-np.array([1,1,0]),
-            'xyz':np.array([[i,j,k] for i in range(3) for j in range(3) for k in range(3)])-np.array([1,1,1])}
-        indx = GetSelectedAtoms()
-        if indx:
-            generalData = data['General']
-            A,B = G2lat.cell2AB(generalData['Cell'][1:7])
-            colLabels = [Atoms.GetColLabelValue(c) for c in range(Atoms.GetNumberCols())]
-            cx = colLabels.index('x')
-            cuia = colLabels.index('I/A')   #need to not do aniso atoms - stop with error? or force isotropic?
-            css = colLabels.index('site sym')
-            atomData = data['Atoms']
-            SGData = generalData['SGData']
-            dlg = G2gd.RotationDialog(G2frame)
-            try:
-                if dlg.ShowModal() == wx.ID_OK:
-                    M,T,Expand = dlg.GetSelection()
-                    Unit = Units[Expand]
-                    for ind in indx:
-                        XYZ = np.array(atomData[ind][cx:cx+3])
-                        XYZS = XYZ+Unit
-                        XYZS -= T
-                        XYZS = np.inner(A,XYZS).T   #to Cartesian
-                        XYZS = np.inner(M,XYZS).T   #rotate
-                        XYZS = np.inner(B,XYZS).T+T #back to crystal & translate
-                        GSASIIpath.IPyBreak()
-                        atomData[ind][cx:cx+3] = XYZ
+#    def AtomRotate(event):
+#        '''Currently not used - Bind commented out below
+#        '''
+#        Units = {'':np.zeros(3),
+#            'xy':np.array([[i,j,0] for i in range(3) for j in range(3)])-np.array([1,1,0]),
+#            'xz':np.array([[i,0,j] for i in range(3) for j in range(3)])-np.array([1,1,0]),
+#            'yz':np.array([[0,i,j] for i in range(3) for j in range(3)])-np.array([1,1,0]),
+#            'xyz':np.array([[i,j,k] for i in range(3) for j in range(3) for k in range(3)])-np.array([1,1,1])}
+#        indx = GetSelectedAtoms()
+#        if indx:
+#            generalData = data['General']
+#            A,B = G2lat.cell2AB(generalData['Cell'][1:7])
+#            colLabels = [Atoms.GetColLabelValue(c) for c in range(Atoms.GetNumberCols())]
+#            cx = colLabels.index('x')
+#            cuia = colLabels.index('I/A')   #need to not do aniso atoms - stop with error? or force isotropic?
+#            css = colLabels.index('site sym')
+#            atomData = data['Atoms']
+#            SGData = generalData['SGData']
+#            dlg = G2gd.RotationDialog(G2frame)
+#            try:
+#                if dlg.ShowModal() == wx.ID_OK:
+#                    M,T,Expand = dlg.GetSelection()
+#                    Unit = Units[Expand]
+#                    for ind in indx:
+#                        XYZ = np.array(atomData[ind][cx:cx+3])
+#                        XYZS = XYZ+Unit
+#                        XYZS -= T
+#                        XYZS = np.inner(A,XYZS).T   #to Cartesian
+#                        XYZS = np.inner(M,XYZS).T   #rotate
+#                        XYZS = np.inner(B,XYZS).T+T #back to crystal & translate
+#                        GSASIIpath.IPyBreak()
+#                        atomData[ind][cx:cx+3] = XYZ
 #                        for unit in Unit:
 #                            XYZ = np.copy(np.array(atomData[ind][cx:cx+3]))
@@ -2435 +2424 @@
 ##                                atom[css:css+2] = G2spc.SytSym(XYZ,SGData)[:2]
 #                                break
-            finally:
-                dlg.Destroy()
-            Atoms.ClearSelection()
-            Atoms.ForceRefresh()
-        else:
-            print "select one or more rows of atoms"
-            G2frame.ErrorDialog('Select atom',"select one or more atoms then redo")
+#            finally:
+#                dlg.Destroy()
+#            Atoms.ClearSelection()
+#            Atoms.ForceRefresh()
+#        else:
+#            print "select one or more rows of atoms"
+#            G2frame.ErrorDialog('Select atom',"select one or more atoms then redo")
                 
     def MakeMolecule(event):      
         indx = GetSelectedAtoms()
-        Oxyz = []
-        xyz = []
         DisAglCtls = {}
         if len(indx) == 1:
@@ -2776 +2763 @@
         Indx = {}
         
-        def SetCell(laue,cell):
-            if laue in ['-3','-3m','6/m','6/mmm','4/m','4/mmm']:                    
-                cell[4] = cell[5] = 90.
-                cell[6] = 120.
-                if laue in ['4/m','4/mmm']:
-                    cell[6] = 90.
-                if ObjId == 0:
-                    cell[1] = cell[2] = value
-                    Obj.SetValue("%.5f"%(cell[1]))
-                else:
-                    cell[3] = value
-                    Obj.SetValue("%.5f"%(cell[3]))
-            elif laue in ['mmm']:
-                cell[ObjId+1] = value
-                cell[4] = cell[5] = cell[6] = 90.
-                Obj.SetValue("%.5f"%(cell[ObjId+1]))
-            elif laue in ['2/m','-1']:
-                cell[4] = cell[5] = 90.
-                if ObjId != 3:
-                    cell[ObjId+1] = value
-                    Obj.SetValue("%.5f"%(cell[ObjId+1]))
-                else:
-                    cell[6] = value
-                    Obj.SetValue("%.3f"%(cell[6]))
-            cell[7] = G2lat.calc_V(G2lat.cell2A(cell[1:7]))
+#        def SetCell(laue,cell):
+#            if laue in ['-3','-3m','6/m','6/mmm','4/m','4/mmm']:                    
+#                cell[4] = cell[5] = 90.
+#                cell[6] = 120.
+#                if laue in ['4/m','4/mmm']:
+#                    cell[6] = 90.
+#                if ObjId == 0:
+#                    cell[1] = cell[2] = value
+#                    Obj.SetValue("%.5f"%(cell[1]))
+#                else:
+#                    cell[3] = value
+#                    Obj.SetValue("%.5f"%(cell[3]))
+#            elif laue in ['mmm']:
+#                cell[ObjId+1] = value
+#                cell[4] = cell[5] = cell[6] = 90.
+#                Obj.SetValue("%.5f"%(cell[ObjId+1]))
+#            elif laue in ['2/m','-1']:
+#                cell[4] = cell[5] = 90.
+#                if ObjId != 3:
+#                    cell[ObjId+1] = value
+#                    Obj.SetValue("%.5f"%(cell[ObjId+1]))
+#                else:
+#                    cell[6] = value
+#                    Obj.SetValue("%.3f"%(cell[6]))
+#            cell[7] = G2lat.calc_V(G2lat.cell2A(cell[1:7]))
 
         def OnLaue(event):
@@ -2854 +2841 @@
                 except ValueError:
                     if ObjId < 3:               #bad cell edge - reset
-                        value = controls[6+ObjId]
+                        value = cell[ObjId+1]
                     else:                       #bad angle
                         value = 90.
@@ -3477 +3464 @@
                 return
             dlg.Destroy()
-            PWDR = data['Histograms'][HistName]
             G2frame.PatternId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,HistName)
             sample = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(
@@ -3548 +3534 @@
             return
         dlg.Destroy()
-        PWDR = data['Histograms'][HistName]
         G2frame.PatternId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,HistName)
         sample = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(
@@ -3572 +3557 @@
         nSteps = simCodes[4]
         laue = Layers['Laue']
-        dStep = (BegFin[1]-BegFin[0])/nSteps
         vals = np.linspace(BegFin[0],BegFin[1],nSteps+1,True)
         simNames = []
@@ -3606 +3590 @@
                     print ' Transition matrix:'
                     for trans in Layers['Transitions']:
-                        line = str([' %.3f'%(vals[0]) for vals in trans])
+                        line = str([' %.3f'%(item[0]) for item in trans])
                         print line[1:-2].replace("'",'')
                 else:
@@ -3641 +3625 @@
         cx,ct,cs,cia = generalData['AtomPtrs']
         atomData = data['Atoms']
-        Map = generalData['Map']
         D4Map = generalData['4DmapData']
         if waveData.GetSizer():
@@ -3666 +3649 @@
             G2frame.bottomSizer = ShowAtomInfo()
             mainSizer.Add(G2frame.bottomSizer)
-            Indx = {}
             mainSizer.Layout()
             G2frame.dataFrame.Refresh()
@@ -3811 +3793 @@
             atm = atomData[iatm]
             xyz = atm[cx:cx+3]
-            uij = atm[cia+2:cia+8]
             atomSizer = wx.BoxSizer(wx.VERTICAL)
             G2G.HorizontalLine(atomSizer,waveData)
@@ -3867 +3848 @@
         Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
         atomData = data['Atoms']
-        AA3letter = ['ALA','ARG','ASN','ASP','CYS','GLN','GLU','GLY','HIS','ILE',
-            'LEU','LYS','MET','PHE','PRO','SER','THR','TRP','TYR','VAL','MSE','HOH','WAT','UNK']
-        AA1letter = ['A','R','N','D','C','Q','E','G','H','I',
-            'L','K','M','F','P','S','T','W','Y','V','M',' ',' ',' ']
         defaultDrawing = {'viewPoint':[[0.5,0.5,0.5],[]],'showHydrogen':True,
             'backColor':[0,0,0],'depthFog':False,'Zclip':50.0,'cameraPos':50.,'Zstep':0.5,
@@ -3928 +3905 @@
         cx,ct,cs,ci = drawingData['atomPtrs']
         atomData = drawingData['Atoms']
-        atNames = []
         atXYZ = []
         atSymOp = []
@@ -3943 +3919 @@
                 restData[PhaseName] = {}
                 restData[PhaseName]['Bond'] = bondData
-            dist = G2mth.getRestDist(atXYZ,Amat)
             bondData['Bonds'].append([atIndx,atSymOp,1.54,0.01])
         elif event.GetId() == G2gd.wxID_DRAWRESTRANGLE and len(indx) == 3:
@@ -3952 +3927 @@
                 restData[PhaseName] = {}
                 restData[PhaseName]['Angle'] = angleData
-            angle = G2mth.getRestAngle(atXYZ,Amat)
             angleData['Angles'].append([atIndx,atSymOp,109.5,1.0])            
         elif event.GetId() == G2gd.wxID_DRAWRESTRPLANE and len(indx) > 3:
@@ -3961 +3935 @@
                 restData[PhaseName] = {}
                 restData[PhaseName]['Plane'] = planeData
-            plane = G2mth.getRestPlane(atXYZ,Amat)
             planeData['Planes'].append([atIndx,atSymOp,0.0,0.01])            
         elif event.GetId() == G2gd.wxID_DRAWRESTRCHIRAL and len(indx) == 4:
@@ -3970 +3943 @@
                 restData[PhaseName] = {}
                 restData[PhaseName]['Chiral'] = chiralData
-            volume = G2mth.getRestChiral(atXYZ,Amat)
             chiralData['Volumes'].append([atIndx,atSymOp,2.5,0.1])            
         else:
@@ -4040 +4012 @@
                     for x in sel:
                         parms.append(choice[x])
-                    noSkip = False
                     drawAtoms.ClearSelection()
                     drawingData['selectedAtoms'] = []
@@ -4060 +4031 @@
             elif r < 0:                          #dclick on col label
                 sel = -1
-                Parms = False
-                noSkip = True
                 if drawAtoms.GetColLabelValue(c) == 'Style':
                     dlg = wx.SingleChoiceDialog(G2frame,'Select','Atom drawing style',styleChoice)
@@ -4156 +4125 @@
         G2frame.dataFrame.SetStatusText('')
         generalData = data['General']
-        SpnFlp = generalData['SGData'].get('SpnFlp',[])
         SetupDrawingData()
         drawingData = data['Drawing']
@@ -4269 +4237 @@
             else:
                 G2frame.dataFrame.SetStatusText('Change color, Add to Custom Colors, then OK')
-            generalData = data['General']
             atomData = data['Drawing']['Atoms']
             cx,ct,cs,ci = data['Drawing']['atomPtrs']
@@ -4493 +4460 @@
             
     def FillCoordSphere(event):
-        colLabels = [drawAtoms.GetColLabelValue(c) for c in range(drawAtoms.GetNumberCols())]
         generalData = data['General']
         Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
@@ -4511 +4477 @@
             cij = ci+2
             SGData = generalData['SGData']
-            SpnFlp = SGData.get('SpnFlp',[])
             cellArray = G2lat.CellBlock(1)
             wx.BeginBusyCursor()
@@ -4719 +4684 @@
 
     def UpdateDrawOptions():
-        import copy
         import wx.lib.colourselect as wcs
         def SlopSizer():            
@@ -5096 +5060 @@
         SetupDrawingData()
         drawingData = data['Drawing']
-        if generalData['Type'] in ['nuclear','faulted',]:
-            pickChoice = ['Atoms','Bonds','Torsions','Planes']
-        elif generalData['Type'] == 'macromolecular':
-            pickChoice = ['Atoms','Residues','Chains','Bonds','Torsions','Planes','phi/psi']
 
         G2frame.dataFrame.SetStatusText('')
@@ -5379 +5339 @@
                 'SH Coeff':[False,{}],'SHShow':False,'PFhkl':[0,0,1],
                 'PFxyz':[0,0,1.],'PlotType':'Pole figure'}
-        if 'SHShow' not in textureData:     #another fix
+        if 'SHShow' not in textureData:
             textureData.update({'SHShow':False,'PFhkl':[0,0,1],'PFxyz':[0,0,1.],'PlotType':'Pole figure'})
-        try:                        #another fix!
-            x = textureData['PlotType']
-        except KeyError:
+        if 'PlotType' not in textureData:
             textureData.update({'PFxyz':[0,0,1.],'PlotType':'Pole figure'})
         if 'Penalty' not in textureData:
@@ -5389 +5347 @@
         shModels = ['cylindrical','none','shear - 2/m','rolling - mmm']
         SamSym = dict(zip(shModels,['0','-1','2/m','mmm']))
-        shAngles = ['omega','chi','phi']
         if Texture.GetSizer():
             Texture.GetSizer().Clear(True)
@@ -5570 +5527 @@
         UseList = data['Histograms']
         hist = G2frame.hist
-        useDict = {}
         keyList = G2frame.GetHistogramNames(hist[:4])
         if UseList:
@@ -6127 +6083 @@
         if dlg.ShowModal() == wx.ID_OK:
             sel = dlg.GetSelection()
-            name = Source[sel]
             for item in ['Orig','Orient','ThermalMotion']: 
                 sourceRB.update({item:RBObjs[sel][item],})
@@ -6392 +6347 @@
                 mainSizer.Add((5,5),0)
                 if Torsions:                    
-                    AtNames = data['testRBObj']['AtNames']
-                    rbAtTypes = data['testRBObj']['rbAtTypes']
                     rbSeq = RBData['Residue'][rbId]['rbSeq']
                     TorSizer = wx.FlexGridSizer(0,4)
@@ -6964 +6917 @@
         RBData = G2frame.PatternTree.GetItemPyData(Id)
         Indx = {}
-        atomStyle = 'balls & sticks'
-        if 'macro' in general['Type']:
-            atomStyle = 'sticks'
+#        atomStyle = 'balls & sticks'
+#        if 'macro' in general['Type']:
+#            atomStyle = 'sticks'
         G2frame.dataFrame.SetStatusText('')
         mainSizer = wx.BoxSizer(wx.VERTICAL)
@@ -7308 +7261 @@
         Sample = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId,'Sample Parameters'))
         wave = G2mth.getWave(Inst)
-        posCorr = Inst['Zero'][1]
         const = 9.e-2/(np.pi*Sample['Gonio. radius'])                  #shifts in microns
         gconst = 2.35482 # sqrt(8 ln 2)
@@ -7492 +7444 @@
     def OnPeaksEquiv(event):
         if 'Map Peaks' in data:
-            mapPeaks = data['Map Peaks']
             Ind = MapPeaks.GetSelectedRows()
             if Ind:
@@ -7766 +7717 @@
         General = data['General']
         phaseName = General['Name']
-        Histograms = data['Histograms']
         keyList = G2frame.GetHistogramNames('PWDR')
         histNames = []

trunk/GSASIIplot.py

@@ -14 +14 @@
 import math
 import time
-import copy
 import sys
 import os.path
@@ -40 +39 @@
 import GSASIIctrls as G2G
 import pytexture as ptx
-from  OpenGL.GL import *
-from OpenGL.GLU import *
-import OpenGL.GLE as gle
-#from OpenGL.GLE import *
+#from  OpenGL.GL import *
+import OpenGL.GL as GL
+import OpenGL.GLU as GLU
 import gltext
 from matplotlib.backends.backend_wx import _load_bitmap
@@ -472 +470 @@
         to F, F**2, etc. as requested
     '''
-    from matplotlib.patches import Circle,CirclePolygon
+    from matplotlib.patches import Circle
     global HKL,HKLF,HKLref
     HKLref = hklRef
@@ -587 +585 @@
     HKL = []
     HKLF = []
-    time0 = time.time()
     sumFo = 0.
     sumDF = 0.
@@ -716 +713 @@
             print Fname+' saved'
             size = Page.canvas.GetSize()
-            glPixelStorei(GL_UNPACK_ALIGNMENT, 1)
+            GL.glPixelStorei(GL.GL_UNPACK_ALIGNMENT, 1)
             if mode in ['jpeg',]:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGBA, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGBA,GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGBA", (size[0],size[1]))
             else:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGB, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGB,GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGB", (size[0],size[1]))
             try:
@@ -817 +814 @@
     if Super:
         SuperVec = np.array(Data['SuperVec'][0])
-    defaultViewPt = copy.copy(drawingData['viewPoint'])
     Amat,Bmat = G2lat.cell2AB(cell)         #Amat - crystal to cartesian, Bmat - inverse
     Gmat,gmat = G2lat.cell2Gmat(cell)
-    invcell = G2lat.Gmat2cell(Gmat)
-    A4mat = np.concatenate((np.concatenate((Amat,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
     B4mat = np.concatenate((np.concatenate((Bmat,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
     drawingData['Quaternion'] = G2mth.AV2Q(2*np.pi,np.inner(Bmat,[0,0,1]))
@@ -827 +821 @@
     Rd = np.array([255,0,0])
     Gr = np.array([0,255,0])
-    wxGreen = wx.Colour(0,255,0)
     Bl = np.array([0,0,255])
     uBox = np.array([[0,0,0],[1,0,0],[1,1,0],[0,1,0],[0,0,1],[1,0,1],[1,1,1],[0,1,1]])
@@ -844 +837 @@
         C = []
         HKL = []
-        RC = []
         for i,refl in enumerate(hklRef):
             H = refl[:3]
@@ -911 +903 @@
 
     def GetTruePosition(xy):
-        View = glGetIntegerv(GL_VIEWPORT)
-        Proj = glGetDoublev(GL_PROJECTION_MATRIX)
-        Model = glGetDoublev(GL_MODELVIEW_MATRIX)
+        View = GL.glGetIntegerv(GL.GL_VIEWPORT)
+        Proj = GL.glGetDoublev(GL.GL_PROJECTION_MATRIX)
+        Model = GL.glGetDoublev(GL.GL_MODELVIEW_MATRIX)
         Zmax = 1.
         xy = [int(xy[0]),int(View[3]-xy[1])]
@@ -919 +911 @@
             h,k,l = ref[:3]
             try:
-                X,Y,Z = gluProject(h,k,l,Model,Proj,View)
+                X,Y,Z = GLU.gluProject(h,k,l,Model,Proj,View)
                 XY = [int(X),int(Y)]
                 if np.allclose(xy,XY,atol=10) and Z < Zmax:
@@ -968 +960 @@
     def SetRotationZ(newxy):                        
 #first get rotation vector (= view vector) in screen coords. & angle increment        
-        View = glGetIntegerv(GL_VIEWPORT)
+        View = GL.glGetIntegerv(GL.GL_VIEWPORT)
         cent = [View[2]/2,View[3]/2]
         oldxy = drawingData['oldxy']
@@ -1003 +995 @@
             if event.LeftIsDown():
                 SetRotation(newxy)
-                Q = drawingData['Quaternion']
             elif event.RightIsDown():
                 SetTranslation(newxy)
@@ -1009 +1000 @@
             elif event.MiddleIsDown():
                 SetRotationZ(newxy)
-                Q = drawingData['Quaternion']
             Draw('move')
         else:
@@ -1027 +1017 @@
     def SetBackground():
         R,G,B,A = Page.camera['backColor']
-        glClearColor(R,G,B,A)
-        glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT)
+        GL.glClearColor(R,G,B,A)
+        GL.glClear(GL.GL_COLOR_BUFFER_BIT | GL.GL_DEPTH_BUFFER_BIT)
         
     def SetLights():
-        glEnable(GL_DEPTH_TEST)
-        glShadeModel(GL_SMOOTH)
-        glEnable(GL_LIGHTING)
-        glEnable(GL_LIGHT0)
-        glLightModeli(GL_LIGHT_MODEL_TWO_SIDE,0)
-        glLightfv(GL_LIGHT0,GL_AMBIENT,[1,1,1,.8])
-        glLightfv(GL_LIGHT0,GL_DIFFUSE,[1,1,1,1])
+        GL.glEnable(GL.GL_DEPTH_TEST)
+        GL.glShadeModel(GL.GL_SMOOTH)
+        GL.glEnable(GL.GL_LIGHTING)
+        GL.glEnable(GL.GL_LIGHT0)
+        GL.glLightModeli(GL.GL_LIGHT_MODEL_TWO_SIDE,0)
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_AMBIENT,[1,1,1,.8])
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_DIFFUSE,[1,1,1,1])
         
     def RenderBox(x,y,z):
-        xyz = np.array([x,y,z])
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(1)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glColor4ubv([0,0,0,0])
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(1)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glColor4ubv([0,0,0,0])
+        GL.glBegin(GL.GL_LINES)
         for line,color in zip(uEdges,uColors):
-            glColor3ubv(color)
-            glVertex3fv(line[0])
-            glVertex3fv(line[1])
-        glEnd()
-        glPopMatrix()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_COLOR_MATERIAL)
+            GL.glColor3ubv(color)
+            GL.glVertex3fv(line[0])
+            GL.glVertex3fv(line[1])
+        GL.glEnd()
+        GL.glPopMatrix()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
         
     def RenderUnitVectors(x,y,z,labxyz=['','','']):
-        xyz = np.array([x,y,z])
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(1)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(1)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glBegin(GL.GL_LINES)
         for line,color in zip(uEdges,uColors)[:3]:
-            glColor3ubv(color)
-            glVertex3fv([0,0,0])
-#            glVertex3fv(-line[1])
-            glVertex3fv(line[1])
-        glEnd()
-        glRotate(180,1,0,0)             #fix to flip about x-axis
+            GL.glColor3ubv(color)
+            GL.glVertex3fv([0,0,0])
+#            GL.glVertex3fv(-line[1])
+            GL.glVertex3fv(line[1])
+        GL.glEnd()
+        GL.glRotate(180,1,0,0)             #fix to flip about x-axis
         for ix,txt in enumerate(labxyz):
             if txt:
                 pos = uEdges[ix][1]
-                glTranslate(pos[0],-1.5*pos[1],-pos[2])
+                GL.glTranslate(pos[0],-1.5*pos[1],-pos[2])
                 text = gltext.TextElement(text=txt,font=Font)
                 text.draw_text(scale=0.05)
-                glTranslate(-pos[0],1.5*pos[1],pos[2])
-        glPopMatrix()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_COLOR_MATERIAL)
+                GL.glTranslate(-pos[0],1.5*pos[1],pos[2])
+        GL.glPopMatrix()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
                 
     def RenderDots(XYZ,RC):
-        glEnable(GL_COLOR_MATERIAL)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
         XYZ = np.array(XYZ)
-        glPushMatrix()
+        GL.glPushMatrix()
         for xyz,rc in zip(XYZ,RC):
             x,y,z = xyz
             r,c = rc
-            glColor3ubv(c)
-            glPointSize(r*50)
-            glBegin(GL_POINTS)
-            glVertex3fv(xyz)
-            glEnd()
-        glPopMatrix()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_COLOR_MATERIAL)
+            GL.glColor3ubv(c)
+            GL.glPointSize(r*50)
+            GL.glBegin(GL.GL_POINTS)
+            GL.glVertex3fv(xyz)
+            GL.glEnd()
+        GL.glPopMatrix()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
         
     def Draw(caller=''):
@@ -1121 +1109 @@
         
         SetBackground()
-        glInitNames()
-        glPushName(0)
-        
-        glMatrixMode(GL_PROJECTION)
-        glLoadIdentity()
-        glViewport(0,0,VS[0],VS[1])
-        gluPerspective(20.,aspect,cPos-Zclip,cPos+Zclip)
-        gluLookAt(0,0,cPos,0,0,0,0,1,0)
+        GL.glInitNames()
+        GL.glPushName(0)
+        
+        GL.glMatrixMode(GL.GL_PROJECTION)
+        GL.glLoadIdentity()
+        GL.glViewport(0,0,VS[0],VS[1])
+        GLU.gluPerspective(20.,aspect,cPos-Zclip,cPos+Zclip)
+        GLU.gluLookAt(0,0,cPos,0,0,0,0,1,0)
         SetLights()            
             
-        glMatrixMode(GL_MODELVIEW)
-        glLoadIdentity()
+        GL.glMatrixMode(GL.GL_MODELVIEW)
+        GL.glLoadIdentity()
         matRot = G2mth.Q2Mat(Q)
         matRot = np.concatenate((np.concatenate((matRot,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
-        glMultMatrixf(matRot.T)
-        glMultMatrixf(B4mat)
-        glTranslate(-Tx,-Ty,-Tz)
+        GL.glMultMatrixf(matRot.T)
+        GL.glMultMatrixf(B4mat)
+        GL.glTranslate(-Tx,-Ty,-Tz)
         x,y,z = drawingData['viewPoint'][0]
         if ifBox:
@@ -1145 +1133 @@
         RenderUnitVectors(0,0,0,labxyz=['h','k','l'])
         RenderDots(HKL,RC)
-        time0 = time.time()
         try:
             if Page.context: Page.canvas.SetCurrent(Page.context)
@@ -1156 +1143 @@
     if new:
         Page.views = False
-        view = False
-        altDown = False
     Font = Page.GetFont()
     Page.Choice = None
@@ -1418 +1403 @@
                 
     def OnPress(event): #ugh - this removes a matplotlib error for mouse clicks in log plots                  
-        olderr = np.seterr(invalid='ignore')
+        np.seterr(invalid='ignore')
                                                    
     def onMoveDiffCurve(event):
@@ -1517 +1502 @@
             Page.canvas.blit(Page.figure.gca().bbox)
 
+        try:
+            Parms,Parms2 = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId, 'Instrument Parameters'))
+        except TypeError:
+            return
         if event is None: # called from a menu command rather than by click on mpl artist
             mouse = 1
@@ -1537 +1526 @@
                 xy[1] = xy[1]**2
         PatternId = G2frame.PatternId
-        try:
-            Parms,Parms2 = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId, 'Instrument Parameters'))
-        except TypeError:
-            return
         PickId = G2frame.PickId
         if G2frame.PatternTree.GetItemText(PickId) == 'Peak List':
@@ -1555 +1540 @@
                 pick.set_linestyle(':') # set line as dotted
                 Page = G2frame.G2plotNB.nb.GetPage(plotNum)
-                Plot = Page.figure.gca()
+                Page.figure.gca()
                 Page.canvas.draw() # refresh without dotted line & save bitmap
                 savedplot = Page.canvas.copy_from_bbox(Page.figure.gca().bbox)
@@ -1587 +1572 @@
                 pick.set_linestyle(':') # set line as dotted
                 Page = G2frame.G2plotNB.nb.GetPage(plotNum)
-                Plot = Page.figure.gca()
+                Page.figure.gca()
                 Page.canvas.draw() # refresh without dotted line & save bitmap
                 savedplot = Page.canvas.copy_from_bbox(Page.figure.gca().bbox)
@@ -1610 +1595 @@
             G2frame.itemPicked = pick
             Page = G2frame.G2plotNB.nb.GetPage(plotNum)
-            Plot = Page.figure.gca()
+            Page.figure.gca()
             if DifLine[0] is G2frame.itemPicked:  # pick of difference curve
                 Page.canvas.draw() # save bitmap
@@ -1652 +1637 @@
                     pick.set_marker('|') # change the point appearance
                     Page = G2frame.G2plotNB.nb.GetPage(plotNum)
-                    Plot = Page.figure.gca()
+                    Page.figure.gca()
                     Page.canvas.draw() # refresh with changed point & save bitmap
                     savedplot = Page.canvas.copy_from_bbox(Page.figure.gca().bbox)
@@ -1975 +1960 @@
         if Pattern[1] is None: continue # skip over uncomputed simulations
         xye = ma.array(ma.getdata(Pattern[1]))
-        Zero = Parms.get('Zero',[0.,0.])[1]
         if PickId:
             ifpicked = Pattern[2] == G2frame.PatternTree.GetItemText(PatternId)
@@ -1984 +1968 @@
                 xye[0] = ma.masked_inside(xye[0],excl[0],excl[1])
         if G2frame.plotStyle['qPlot'] and 'PWDR' in plottype:
-            Id = G2gd.GetPatternTreeItemId(G2frame,G2frame.root, Pattern[2])
             X = 2.*np.pi/G2lat.Pos2dsp(Parms,xye[0])
         elif G2frame.plotStyle['dPlot'] and 'PWDR' in plottype:
-            Id = G2gd.GetPatternTreeItemId(G2frame,G2frame.root, Pattern[2])
             X = G2lat.Pos2dsp(Parms,xye[0])
         else:
@@ -2290 +2272 @@
     new,plotNum,Page,Plot,lim = G2frame.G2plotNB.FindPlotTab('Error analysis','mpl')
     if new:
-        newPlot = True
         G2frame.Cmax = 1.0
     # save information needed to reload from tree and redraw
@@ -2322 +2303 @@
     EDS = np.zeros_like(DS)
     DX = np.linspace(0.,1.,num=len(DS),endpoint=True)
-    oldErr = np.seterr(invalid='ignore')    #avoid problem at DX==0
+    np.seterr(invalid='ignore')    #avoid problem at DX==0
     T = np.sqrt(np.log(1.0/DX**2))
     top = 2.515517+0.802853*T+0.010328*T**2
@@ -2494 +2475 @@
             return
         Ymax = max(Ymax,max(xye[1]))
-    offset = Pattern[0].get('Offset',[0,0])[0]*Ymax/100.0
     if G2frame.Contour:
         ContourZ = []
@@ -2930 +2910 @@
                 G2frame.G2plotNB.status.SetStatusText('Select Strain pattern first',1)
 
-    xylim = []
     new,plotNum,Page,Plot,lim = G2frame.G2plotNB.FindPlotTab('Size Distribution','mpl')
     if new:
-        newPlot = True
         G2frame.G2plotNB.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CHANGED,OnPageChanged)
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
@@ -2985 +2963 @@
     Plot.set_title('Powder Pattern Lines')
     Plot.set_xlabel(r'$\mathsf{2\theta}$',fontsize=14)
-    PickId = G2frame.PickId
     PatternId = G2frame.PatternId
     peaks = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Index Peak List'))[0]
@@ -3054 +3031 @@
     Page.Choice = None
     Page.canvas.SetToolTipString('')
-    colors=['b','g','r','c','m','k']
     X = []
     Y = []
@@ -3094 +3070 @@
             Z = []
             W = []
-            V = []
             for peak in peaks:
                 X.append(4.0*math.pi*sind(peak[0]/2.0)/lam)
@@ -3154 +3129 @@
         W = []
         Q = []
-        V = []
         for peak in peaks:
             T.append(peak[0])
@@ -3223 +3197 @@
     generalData = data['General']
     SGData = generalData['SGData']
-    SGLaue = SGData['SGLaue']
     if Start:                   #initialize the spherical harmonics qlmn arrays
         ptx.pyqlmninit()
@@ -3229 +3202 @@
     cell = generalData['Cell'][1:]
     Amat,Bmat = G2lat.cell2AB(cell[:6])
-    Vol = cell[6]
     useList = data['Histograms']
     phase = generalData['Name']
@@ -3240 +3212 @@
     if hist == '':
         hist = useList.keys()[0]
-    numPlots = len(useList)
 
     if plotType in ['Mustrain','Size']:
@@ -3326 +3297 @@
                     
         if np.any(X) and np.any(Y) and np.any(Z):
-            errFlags = np.seterr(all='ignore')
+            np.seterr(all='ignore')
             Plot.plot_surface(X,Y,Z,rstride=1,cstride=1,color='g',linewidth=1)
-            np.seterr(all='ignore')
             xyzlim = np.array([Plot.get_xlim3d(),Plot.get_ylim3d(),Plot.get_zlim3d()]).T
             XYZlim = [min(xyzlim[0]),max(xyzlim[1])]
@@ -3378 +3348 @@
         else:
             obsRMD = Refs[15+ns]
-        ObsIVP = []
         Phi = []
         Beta = []
@@ -3582 +3551 @@
             
             if np.any(X) and np.any(Y) and np.any(Z):
-                errFlags = np.seterr(all='ignore')
+                np.seterr(all='ignore')
                 Plot.plot_surface(X,Y,Z,rstride=1,cstride=1,color='g',linewidth=1)
                 np.seterr(all='ignore')
@@ -3596 +3565 @@
                 Plot.set_zlabel(r'Z, MRD')
         else:
-            PFproj = textureData.get('PFproj','XY')
-            PRrev = textureData.get('PFrev',False)
             X,Y = np.meshgrid(np.linspace(1.,-1.,npts),np.linspace(-1.,1.,npts))
             R,P = np.sqrt(X**2+Y**2).flatten(),npatan2d(X,Y).flatten()
@@ -3644 +3611 @@
     def OnPlotKeyPress(event):
         global Off,Atom,Ax
-        newPlot = False
         if event.key == '0':
             Off = 0
@@ -3746 +3712 @@
     varyList = Data['varyList']
     values = Data['variables']
-    Xmax = len(varyList)
     covMatrix = Data['covMatrix']
     sig = np.sqrt(np.diag(covMatrix))
@@ -3756 +3721 @@
 
     def OnPlotKeyPress(event):
-        newPlot = False
         if event.key == 's':
             choice = [m for m in mpl.cm.datad.keys() if not m.endswith("_r")]
@@ -3832 +3796 @@
     ylabs = [varyList[int(i)] for i in ytics[:-1]]
     imgAx.set_yticklabels(ylabs)
-    colorBar = Page.figure.colorbar(Img)
+    Page.figure.colorbar(Img)
     Plot.set_title('V-Cov matrix'+title)
     Plot.set_xlabel('Variable number')
@@ -3910 +3874 @@
     names = Names
     rama = np.log(2*Rama+1.)
-    ramaMax = np.max(rama)
     rama = np.reshape(rama,(45,45))
     global Phi,Psi
@@ -3917 +3880 @@
 
     def OnPlotKeyPress(event):
-        newPlot = False
         if event.key == 's':
             choice = [m for m in mpl.cm.datad.keys() if not m.endswith("_r")]
@@ -3995 +3957 @@
     Plot.set_xlabel(r'$\phi$',fontsize=16)
     Plot.set_ylabel(r'$\psi$',fontsize=16)
-    colorBar = Page.figure.colorbar(Img)
+    Page.figure.colorbar(Img)
     Page.canvas.draw()
 
@@ -4175 +4137 @@
     :param bool newImage: If True, the Figure is cleared and redrawn
     '''
-    from matplotlib.patches import Ellipse,Arc,Circle,Polygon
+    from matplotlib.patches import Ellipse,Circle
     import numpy.ma as ma
     Dsp = lambda tth,wave: wave/(2.*npsind(tth/2.))
@@ -4251 +4213 @@
             if event.key in ['a',]:
                 G2frame.StrainKey = event.key
-                StrSta = OnStartNewDzero(G2frame)
+                OnStartNewDzero(G2frame)
                 wx.CallAfter(PlotImage,G2frame,newImage=False)
                 
@@ -4459 +4421 @@
                     for poly in G2frame.polyList:   #merging points problem here?
                         if Obj == poly[0]:
-                            ind = G2frame.itemPicked.contains(G2frame.mousePicked)[1]['ind'][0]
+#                            ind = G2frame.itemPicked.contains(G2frame.mousePicked)[1]['ind'][0]
                             oldPos = np.array([G2frame.mousePicked.xdata,G2frame.mousePicked.ydata])
                             pN = poly[1]
@@ -4527 +4489 @@
     sizexy = Data['size']
     pixelSize = Data['pixelSize']
-    scalex = 1000./pixelSize[0]
-    scaley = 1000./pixelSize[1]
     Xmax = sizexy[0]*pixelSize[0]/1000.
     Ymax = sizexy[1]*pixelSize[1]/1000.
@@ -4553 +4513 @@
                 AM = np.where(AM>0,np.log(AM),0)
                 Imin,Imax = [np.amin(A),np.amax(A)]
-            ImgM = Plot.imshow(AM,aspect='equal',cmap='Reds',
+            Plot.imshow(AM,aspect='equal',cmap='Reds',
                 interpolation='nearest',vmin=0,vmax=2,extent=[0,Xmax,Ymax,0])
             Img = Plot.imshow(A,aspect='equal',cmap=acolor,
@@ -4679 +4639 @@
             Plot.plot(x,y,'g')            
         if newImage:
-            colorBar = Page.figure.colorbar(Img)
+            Page.figure.colorbar(Img)
         Plot.set_xlim(xlim)
         Plot.set_ylim(ylim)
@@ -4726 +4686 @@
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
         Page.views = False
-        view = False
     Page.Choice = None
         
@@ -4741 +4700 @@
     Img = Plot.imshow(image,cmap=acolor,vmin=Imin,vmax=Imax,interpolation='nearest', \
         extent=[ysc[0],ysc[-1],xsc[-1],xsc[0]],aspect='auto')
-    colorBar = Page.figure.colorbar(Img)
+    Page.figure.colorbar(Img)
 #    if Data['ellipses']:            
 #        for ellipse in Data['ellipses']:
@@ -4782 +4741 @@
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
         Page.views = False
-        view = False
     Page.Choice = None
     Data = G2frame.PatternTree.GetItemPyData(
@@ -4858 +4816 @@
     B4mat = np.concatenate((np.concatenate((Bmat,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
     SGData = generalData['SGData']
-    if generalData['Modulated']:
-        SSGData = generalData['SSGData']
     SpnFlp = SGData.get('SpnFlp',[1,])
-    Mydir = generalData['Mydir']
-    Super = generalData.get('Super',0)
     atomData = data['Atoms']
     mapPeaks = []
@@ -4909 +4863 @@
     mapData = {}
     flipData = {}
-    rhoXYZ = []
     showBonds = False
     if 'Map' in generalData:
@@ -4935 +4888 @@
     Bc = np.array(list(drawingData['backColor']))
     uColors = [Rd,Gr,Bl,Wt-Bc, Wt-Bc,Wt-Bc,Wt-Bc,Wt-Bc, Wt-Bc,Wt-Bc,Wt-Bc,Wt-Bc]
-    altDown = False
-    shiftDown = False
-    ctrlDown = False
     G2frame.tau = 0.
     
@@ -4954 +4904 @@
             Fname = (os.path.splitext(projFile)[0]+'.'+mode).replace('*','+')
             size = Page.canvas.GetSize()
-            glPixelStorei(GL_UNPACK_ALIGNMENT, 1)
+            GL.glPixelStorei(GL.GL_UNPACK_ALIGNMENT, 1)
             if mode in ['jpeg',]:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGBA, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGBA, GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGBA", (size[0],size[1]))
             else:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGB, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGB, GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGB", (size[0],size[1]))
             try:
@@ -5093 +5043 @@
             
     def GetTruePosition(xy,Add=False):
-        View = glGetIntegerv(GL_VIEWPORT)
-        Proj = glGetDoublev(GL_PROJECTION_MATRIX)
-        Model = glGetDoublev(GL_MODELVIEW_MATRIX)
+        View = GL.glGetIntegerv(GL.GL_VIEWPORT)
+        Proj = GL.glGetDoublev(GL.GL_PROJECTION_MATRIX)
+        Model = GL.glGetDoublev(GL.GL_MODELVIEW_MATRIX)
         Zmax = 1.
         if Add:
@@ -5102 +5052 @@
             for i,peak in enumerate(mapPeaks):
                 x,y,z = peak[1:4]
-                X,Y,Z = gluProject(x,y,z,Model,Proj,View)
+                X,Y,Z = GLU.GLU.gluProject(x,y,z,Model,Proj,View)
                 XY = [int(X),int(View[3]-Y)]
                 if np.allclose(xy,XY,atol=10) and Z < Zmax:
@@ -5117 +5067 @@
             for i,atom in enumerate(drawAtoms):
                 x,y,z = atom[cx:cx+3]
-                X,Y,Z = gluProject(x,y,z,Model,Proj,View)
+                X,Y,Z = GLU.gluProject(x,y,z,Model,Proj,View)
                 XY = [int(X),int(View[3]-Y)]
                 if np.allclose(xy,XY,atol=10) and Z < Zmax:
@@ -5286 +5236 @@
     def SetBackground():
         R,G,B,A = Page.camera['backColor']
-        glClearColor(R,G,B,A)
-        glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT)
+        GL.glClearColor(R,G,B,A)
+        GL.glClear(GL.GL_COLOR_BUFFER_BIT | GL.GL_DEPTH_BUFFER_BIT)
         
     def SetLights():
-        glEnable(GL_DEPTH_TEST)
-        glShadeModel(GL_SMOOTH)
-        glEnable(GL_LIGHTING)
-        glEnable(GL_LIGHT0)
-        glLightModeli(GL_LIGHT_MODEL_TWO_SIDE,0)
-        glLightfv(GL_LIGHT0,GL_AMBIENT,[.1,.1,.1,1])
-        glLightfv(GL_LIGHT0,GL_DIFFUSE,[.8,.8,.8,1])
+        GL.glEnable(GL.GL_DEPTH_TEST)
+        GL.glShadeModel(GL.GL_SMOOTH)
+        GL.glEnable(GL.GL_LIGHTING)
+        GL.glEnable(GL.GL_LIGHT0)
+        GL.glLightModeli(GL.GL_LIGHT_MODEL_TWO_SIDE,0)
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_AMBIENT,[.1,.1,.1,1])
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_DIFFUSE,[.8,.8,.8,1])
 #        glLightfv(GL_LIGHT0,GL_SPECULAR,[1,1,1,1])
 #        glLightfv(GL_LIGHT0,GL_POSITION,[0,0,1,1])
@@ -5387 +5337 @@
     def SetRotationZ(newxy):                        
 #first get rotation vector (= view vector) in screen coords. & angle increment        
-        View = glGetIntegerv(GL_VIEWPORT)
+        View = GL.glGetIntegerv(GL.GL_VIEWPORT)
         cent = [View[2]/2,View[3]/2]
         oldxy = drawingData['oldxy']
@@ -5431 +5381 @@
     def SetRBRotationZ(newxy):                        
 #first get rotation vector (= view vector) in screen coords. & angle increment        
-        View = glGetIntegerv(GL_VIEWPORT)
+        View = GL.glGetIntegerv(GL.GL_VIEWPORT)
         cent = [View[2]/2,View[3]/2]
         oldxy = drawingData['oldxy']
@@ -5457 +5407 @@
 
     def RenderBox():
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(2)
-        glEnable(GL_BLEND)
-        glBlendFunc(GL_SRC_ALPHA,GL_ONE_MINUS_SRC_ALPHA)
-        glEnable(GL_LINE_SMOOTH)
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(2)
+        GL.glEnable(GL.GL_BLEND)
+        GL.glBlendFunc(GL.GL_SRC_ALPHA,GL.GL_ONE_MINUS_SRC_ALPHA)
+        GL.glEnable(GL.GL_LINE_SMOOTH)
+        GL.glBegin(GL.GL_LINES)
         for line,color in zip(uEdges,uColors):
-            glColor3ubv(color)
-            glVertex3fv(line[0])
-            glVertex3fv(line[1])
-        glEnd()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_LINE_SMOOTH)
-        glDisable(GL_BLEND)
-        glDisable(GL_COLOR_MATERIAL)
+            GL.glColor3ubv(color)
+            GL.glVertex3fv(line[0])
+            GL.glVertex3fv(line[1])
+        GL.glEnd()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_LINE_SMOOTH)
+        GL.glDisable(GL.GL_BLEND)
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
         
     def RenderUnitVectors(x,y,z):
-        xyz = np.array([x,y,z])
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(2)
-        glEnable(GL_BLEND)
-        glBlendFunc(GL_SRC_ALPHA,GL_ONE_MINUS_SRC_ALPHA)
-        glEnable(GL_LINE_SMOOTH)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glScalef(1/cell[0],1/cell[1],1/cell[2])
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(2)
+        GL.glEnable(GL.GL_BLEND)
+        GL.glBlendFunc(GL.GL_SRC_ALPHA,GL.GL_ONE_MINUS_SRC_ALPHA)
+        GL.glEnable(GL.GL_LINE_SMOOTH)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glScalef(1/cell[0],1/cell[1],1/cell[2])
+        GL.glBegin(GL.GL_LINES)
         for line,color in zip(uEdges,uColors)[:3]:
-            glColor3ubv(color)
-            glVertex3fv(-line[1]/2.)
-            glVertex3fv(line[1]/2.)
-        glEnd()
-        glPopMatrix()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_LINE_SMOOTH)
-        glDisable(GL_BLEND)
-        glDisable(GL_COLOR_MATERIAL)
+            GL.glColor3ubv(color)
+            GL.glVertex3fv(-line[1]/2.)
+            GL.glVertex3fv(line[1]/2.)
+        GL.glEnd()
+        GL.glPopMatrix()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_LINE_SMOOTH)
+        GL.glDisable(GL.GL_BLEND)
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
         
     def RenderPlane(plane,color):
         fade = list(color) + [.25,]
-        glMaterialfv(GL_FRONT_AND_BACK,GL_AMBIENT_AND_DIFFUSE,fade)
-        glShadeModel(GL_FLAT)
-        glEnable(GL_BLEND)
-        glBlendFunc(GL_SRC_ALPHA,GL_ONE_MINUS_SRC_ALPHA)
-        glPushMatrix()
-        glShadeModel(GL_SMOOTH)
-        glPolygonMode(GL_FRONT_AND_BACK,GL_FILL)
-        glFrontFace(GL_CW)
-        glBegin(GL_TRIANGLE_FAN)
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_AMBIENT_AND_DIFFUSE,fade)
+        GL.glShadeModel(GL.GL_FLAT)
+        GL.glEnable(GL.GL_BLEND)
+        GL.glBlendFunc(GL.GL_SRC_ALPHA,GL.GL_ONE_MINUS_SRC_ALPHA)
+        GL.glPushMatrix()
+        GL.glShadeModel(GL.GL_SMOOTH)
+        GL.glPolygonMode(GL.GL_FRONT_AND_BACK,GL.GL_FILL)
+        GL.glFrontFace(GL.GL_CW)
+        GL.glBegin(GL.GL_TRIANGLE_FAN)
         for vertex in plane:
-            glVertex3fv(vertex)
-        glEnd()
-        glPopMatrix()
-        glDisable(GL_BLEND)
-        glShadeModel(GL_SMOOTH)
+            GL.glVertex3fv(vertex)
+        GL.glEnd()
+        GL.glPopMatrix()
+        GL.glDisable(GL.GL_BLEND)
+        GL.glShadeModel(GL.GL_SMOOTH)
                 
     def RenderSphere(x,y,z,radius,color):
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
-        q = gluNewQuadric()
-        gluSphere(q,radius,20,10)
-        glPopMatrix()
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
+        q = GLU.gluNewQuadric()
+        GLU.gluSphere(q,radius,20,10)
+        GL.glPopMatrix()
         
     def RenderDots(XYZ,RC):
-        glEnable(GL_COLOR_MATERIAL)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
         XYZ = np.array(XYZ)
-        glPushMatrix()
+        GL.glPushMatrix()
         for xyz,rc in zip(XYZ,RC):
             x,y,z = xyz
             r,c = rc
-            glColor3ubv(c)
-            glPointSize(r*50)
-            glBegin(GL_POINTS)
-            glVertex3fv(xyz)
-            glEnd()
-        glPopMatrix()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_COLOR_MATERIAL)
+            GL.glColor3ubv(c)
+            GL.glPointSize(r*50)
+            GL.glBegin(GL.GL_POINTS)
+            GL.glVertex3fv(xyz)
+            GL.glEnd()
+        GL.glPopMatrix()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
         
     def RenderSmallSphere(x,y,z,radius,color):
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
-        q = gluNewQuadric()
-        gluSphere(q,radius,4,2)
-        glPopMatrix()
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
+        q = GLU.gluNewQuadric()
+        GLU.gluSphere(q,radius,4,2)
+        GL.glPopMatrix()
                 
     def RenderEllipsoid(x,y,z,ellipseProb,E,R4,color):
         s1,s2,s3 = E
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
-        glMultMatrixf(R4.T)
-        glEnable(GL_NORMALIZE)
-        glScale(s1,s2,s3)
-        q = gluNewQuadric()
-        gluSphere(q,ellipseProb,20,10)
-        glDisable(GL_NORMALIZE)
-        glPopMatrix()
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
+        GL.glMultMatrixf(R4.T)
+        GL.glEnable(GL.GL_NORMALIZE)
+        GL.glScale(s1,s2,s3)
+        q = GLU.gluNewQuadric()
+        GLU.gluSphere(q,ellipseProb,20,10)
+        GL.glDisable(GL.GL_NORMALIZE)
+        GL.glPopMatrix()
         
     def RenderBonds(x,y,z,Bonds,radius,color,slice=20):
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
         for bond in Bonds:
-            glPushMatrix()
+            GL.glPushMatrix()
             Dx = np.inner(Amat,bond)
             Z = np.sqrt(np.sum(Dx**2))
@@ -5573 +5522 @@
                 azm = atan2d(-Dx[1],-Dx[0])
                 phi = acosd(Dx[2]/Z)
-                glRotate(-azm,0,0,1)
-                glRotate(phi,1,0,0)
-                q = gluNewQuadric()
-                gluCylinder(q,radius,radius,Z,slice,2)
-            glPopMatrix()            
-        glPopMatrix()
+                GL.glRotate(-azm,0,0,1)
+                GL.glRotate(phi,1,0,0)
+                q = GLU.gluNewQuadric()
+                GLU.gluCylinder(q,radius,radius,Z,slice,2)
+            GL.glPopMatrix()            
+        GL.glPopMatrix()
         
     def RenderMoment(x,y,z,Moment,color,slice=20):
@@ -5584 +5533 @@
         Z = np.sqrt(np.sum(Dx**2))
         if Z:
-            glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-            glPushMatrix()
-            glTranslate(x,y,z)
-            glMultMatrixf(B4mat.T)
-            glTranslate(-Dx[0],-Dx[1],-Dx[2])
+            GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+            GL.glPushMatrix()
+            GL.glTranslate(x,y,z)
+            GL.glMultMatrixf(B4mat.T)
+            GL.glTranslate(-Dx[0],-Dx[1],-Dx[2])
             azm = atan2d(-Dx[1],-Dx[0])
             phi = acosd(Dx[2]/Z)
-            glRotate(-azm,0,0,1)
-            glRotate(phi,1,0,0)
-            q = gluNewQuadric()
-            gluQuadricOrientation(q,GLU_INSIDE)
-            gluDisk(q,0.,.1,slice,1)
-            gluQuadricOrientation(q,GLU_OUTSIDE)
-            gluCylinder(q,.1,.1,2.*Z,slice,2)
-            glTranslate(0,0,2*Z)
-            gluQuadricOrientation(q,GLU_INSIDE)
-            gluDisk(q,.1,.2,slice,1)
-            gluQuadricOrientation(q,GLU_OUTSIDE)
-            gluCylinder(q,.2,0.,.4,slice,2)
-            glPopMatrix()            
+            GL.glRotate(-azm,0,0,1)
+            GL.glRotate(phi,1,0,0)
+            q = GLU.gluNewQuadric()
+            GLU.gluQuadricOrientation(q,GLU.GLU_INSIDE)
+            GLU.gluDisk(q,0.,.1,slice,1)
+            GLU.gluQuadricOrientation(q,GLU.GLU_OUTSIDE)
+            GLU.gluCylinder(q,.1,.1,2.*Z,slice,2)
+            GL.glTranslate(0,0,2*Z)
+            GLU.gluQuadricOrientation(q,GLU.GLU_INSIDE)
+            GLU.gluDisk(q,.1,.2,slice,1)
+            GLU.gluQuadricOrientation(q,GLU.GLU_OUTSIDE)
+            GLU.gluCylinder(q,.2,0.,.4,slice,2)
+            GL.glPopMatrix()            
                 
     def RenderLines(x,y,z,Bonds,color):
-        glShadeModel(GL_FLAT)
+        GL.glShadeModel(GL.GL_FLAT)
         xyz = np.array([x,y,z])
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(1)
-        glColor3fv(color)
-        glPushMatrix()
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(1)
+        GL.glColor3fv(color)
+        GL.glPushMatrix()
+        GL.glBegin(GL.GL_LINES)
         for bond in Bonds:
-            glVertex3fv(xyz)
-            glVertex3fv(xyz+bond)
-        glEnd()
-        glColor4ubv([0,0,0,0])
-        glPopMatrix()
-        glDisable(GL_COLOR_MATERIAL)
-        glShadeModel(GL_SMOOTH)
+            GL.glVertex3fv(xyz)
+            GL.glVertex3fv(xyz+bond)
+        GL.glEnd()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glPopMatrix()
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
+        GL.glShadeModel(GL.GL_SMOOTH)
         
     def RenderPolyhedra(x,y,z,Faces,color):
-        glShadeModel(GL_FLAT)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glShadeModel(GL_SMOOTH)
-        glMultMatrixf(B4mat.T)
+        GL.glShadeModel(GL.GL_FLAT)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glShadeModel(GL.GL_SMOOTH)
+        GL.glMultMatrixf(B4mat.T)
         for face,norm in Faces:
-            glPolygonMode(GL_FRONT_AND_BACK,GL_FILL)
-            glFrontFace(GL_CW)
-            glNormal3fv(norm)
-            glBegin(GL_TRIANGLES)
+            GL.glPolygonMode(GL.GL_FRONT_AND_BACK,GL.GL_FILL)
+            GL.glFrontFace(GL.GL_CW)
+            GL.glNormal3fv(norm)
+            GL.glBegin(GL.GL_TRIANGLES)
             for vert in face:
-                glVertex3fv(vert)
-            glEnd()
-        glPopMatrix()
-        glShadeModel(GL_SMOOTH)
+                GL.glVertex3fv(vert)
+            GL.glEnd()
+        GL.glPopMatrix()
+        GL.glShadeModel(GL.GL_SMOOTH)
 
     def RenderMapPeak(x,y,z,color,den):
-        glShadeModel(GL_FLAT)
+        GL.glShadeModel(GL.GL_FLAT)
         xyz = np.array([x,y,z])
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(3)
-        glColor3fv(color*den/255)
-        glPushMatrix()
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(3)
+        GL.glColor3fv(color*den/255)
+        GL.glPushMatrix()
+        GL.glBegin(GL.GL_LINES)
         for vec in mapPeakVecs:
-            glVertex3fv(vec[0]+xyz)
-            glVertex3fv(vec[1]+xyz)
-        glEnd()
-        glColor4ubv([0,0,0,0])
-        glPopMatrix()
-        glDisable(GL_COLOR_MATERIAL)
-        glShadeModel(GL_SMOOTH)
+            GL.glVertex3fv(vec[0]+xyz)
+            GL.glVertex3fv(vec[1]+xyz)
+        GL.glEnd()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glPopMatrix()
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
+        GL.glShadeModel(GL.GL_SMOOTH)
         
     def RenderBackbone(Backbone,BackboneColor,radius):
-        glPushMatrix()
-        glMultMatrixf(B4mat.T)
-        glEnable(GL_COLOR_MATERIAL)
-        glShadeModel(GL_SMOOTH)
+        GL.glPushMatrix()
+        GL.glMultMatrixf(B4mat.T)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glShadeModel(GL.GL_SMOOTH)
 #        gle.gleSetJoinStyle(TUBE_NORM_EDGE | TUBE_JN_ANGLE | TUBE_JN_CAP)
 #        gle.glePolyCylinder(Backbone,BackboneColor,radius)
-        glPopMatrix()        
-        glDisable(GL_COLOR_MATERIAL)
+        GL.glPopMatrix()        
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
         
     def RenderLabel(x,y,z,label,r,color,matRot):
@@ -5671 +5620 @@
         color wx.Colour object
         '''       
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
-        glDisable(GL_LIGHTING)
-        glRasterPos3f(0,0,0)
-        glMultMatrixf(matRot)
-        glRotate(180,1,0,0)             #fix to flip about x-axis
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
+        GL.glDisable(GL.GL_LIGHTING)
+        GL.glRasterPos3f(0,0,0)
+        GL.glMultMatrixf(matRot)
+        GL.glRotate(180,1,0,0)             #fix to flip about x-axis
         text = gltext.Text(text=label,font=Font,foreground=color)
         text.draw_text(scale=0.025)
-        glEnable(GL_LIGHTING)
-        glPopMatrix()
+        GL.glEnable(GL.GL_LIGHTING)
+        GL.glPopMatrix()
         
     def RenderMap(rho,rhoXYZ,indx,Rok):
-        glShadeModel(GL_FLAT)
+        GL.glShadeModel(GL.GL_FLAT)
         cLevel = drawingData['contourLevel']
         XYZ = []
@@ -5702 +5651 @@
                     RC.append([0.1*alpha,Gr])
         RenderDots(XYZ,RC)
-        glShadeModel(GL_SMOOTH)
+        GL.glShadeModel(GL.GL_SMOOTH)
                             
     def Draw(caller='',Fade=[]):
@@ -5757 +5706 @@
         
         SetBackground()
-        glInitNames()
-        glPushName(0)
-        
-        glMatrixMode(GL_PROJECTION)
-        glLoadIdentity()
-        glViewport(0,0,VS[0],VS[1])
-        gluPerspective(20.,aspect,cPos-Zclip,cPos+Zclip)
-        gluLookAt(0,0,cPos,0,0,0,0,1,0)
+        GL.glInitNames()
+        GL.glPushName(0)
+        
+        GL.glMatrixMode(GL.GL_PROJECTION)
+        GL.glLoadIdentity()
+        GL.glViewport(0,0,VS[0],VS[1])
+        GLU.gluPerspective(20.,aspect,cPos-Zclip,cPos+Zclip)
+        GLU.gluLookAt(0,0,cPos,0,0,0,0,1,0)
         SetLights()            
             
-        glMatrixMode(GL_MODELVIEW)
-        glLoadIdentity()
+        GL.glMatrixMode(GL.GL_MODELVIEW)
+        GL.glLoadIdentity()
         matRot = G2mth.Q2Mat(Q)
         matRot = np.concatenate((np.concatenate((matRot,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
-        glMultMatrixf(matRot.T)
-        glMultMatrixf(A4mat.T)
-        glTranslate(-Tx,-Ty,-Tz)
+        GL.glMultMatrixf(matRot.T)
+        GL.glMultMatrixf(A4mat.T)
+        GL.glTranslate(-Tx,-Ty,-Tz)
         if drawingData['showABC']:
             x,y,z = drawingData['viewPoint'][0]
@@ -5779 +5728 @@
         Backbones = {}
         BackboneColor = []
-        time0 = time.time()
 #        glEnable(GL_BLEND)
 #        glBlendFunc(GL_SRC_ALPHA,GL_ONE_MINUS_SRC_ALPHA)
@@ -5808 +5756 @@
             if atom[cs] != '':
                 try:
-                    glLoadName(atom[-3])
+                    GL.glLoadName(atom[-3])
                 except: #problem with old files - missing code
                     pass
@@ -5950 +5898 @@
     if new:
         Page.views = False
-        view = False
-        altDown = False
     Font = Page.GetFont()
     Page.Choice = None
@@ -6016 +5962 @@
                         
     Mydir = G2frame.dirname
-    Wt = np.array([255,255,255])
     Rd = np.array([255,0,0])
     Gr = np.array([0,255,0])
@@ -6082 +6027 @@
     def SetBackground():
         R,G,B,A = Page.camera['backColor']
-        glClearColor(R,G,B,A)
-        glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT)
+        GL.glClearColor(R,G,B,A)
+        GL.glClear(GL.GL_COLOR_BUFFER_BIT | GL.GL_DEPTH_BUFFER_BIT)
         
     def SetLights():
-        glEnable(GL_DEPTH_TEST)
-        glShadeModel(GL_FLAT)
-        glEnable(GL_LIGHTING)
-        glEnable(GL_LIGHT0)
-        glLightModeli(GL_LIGHT_MODEL_TWO_SIDE,0)
-        glLightfv(GL_LIGHT0,GL_AMBIENT,[1,1,1,.8])
-        glLightfv(GL_LIGHT0,GL_DIFFUSE,[1,1,1,1])
+        GL.glEnable(GL.GL_DEPTH_TEST)
+        GL.glShadeModel(GL.GL_FLAT)
+        GL.glEnable(GL.GL_LIGHTING)
+        GL.glEnable(GL.GL_LIGHT0)
+        GL.glLightModeli(GL.GL_LIGHT_MODEL_TWO_SIDE,0)
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_AMBIENT,[1,1,1,.8])
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_DIFFUSE,[1,1,1,1])
         
     def SetRotation(newxy):
@@ -6116 +6061 @@
     def SetRotationZ(newxy):                        
 #first get rotation vector (= view vector) in screen coords. & angle increment        
-        View = glGetIntegerv(GL_VIEWPORT)
+        View = GL.glGetIntegerv(GL.GL_VIEWPORT)
         cent = [View[2]/2,View[3]/2]
         oldxy = defaults['oldxy']
@@ -6139 +6084 @@
 
     def RenderUnitVectors(x,y,z):
-        xyz = np.array([x,y,z])
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(1)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(1)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glBegin(GL.GL_LINES)
         for line,color in zip(uEdges,uColors):
-            glColor3ubv(color)
-            glVertex3fv(-line[1])
-            glVertex3fv(line[1])
-        glEnd()
-        glPopMatrix()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_COLOR_MATERIAL)
+            GL.glColor3ubv(color)
+            GL.glVertex3fv(-line[1])
+            GL.glVertex3fv(line[1])
+        GL.glEnd()
+        GL.glPopMatrix()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
                 
     def RenderSphere(x,y,z,radius,color):
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        q = gluNewQuadric()
-        gluSphere(q,radius,20,10)
-        glPopMatrix()
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        q = GLU.gluNewQuadric()
+        GLU.gluSphere(q,radius,20,10)
+        GL.glPopMatrix()
         
     def RenderBonds(x,y,z,Bonds,radius,color,slice=20):
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
         for Dx in Bonds:
-            glPushMatrix()
+            GL.glPushMatrix()
             Z = np.sqrt(np.sum(Dx**2))
             if Z:
                 azm = atan2d(-Dx[1],-Dx[0])
                 phi = acosd(Dx[2]/Z)
-                glRotate(-azm,0,0,1)
-                glRotate(phi,1,0,0)
-                q = gluNewQuadric()
-                gluCylinder(q,radius,radius,Z,slice,2)
-            glPopMatrix()            
-        glPopMatrix()
+                GL.glRotate(-azm,0,0,1)
+                GL.glRotate(phi,1,0,0)
+                q = GLU.gluNewQuadric()
+                GLU.gluCylinder(q,radius,radius,Z,slice,2)
+            GL.glPopMatrix()            
+        GL.glPopMatrix()
                 
     def RenderLabel(x,y,z,label,matRot):       
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glDisable(GL_LIGHTING)
-        glRasterPos3f(0,0,0)
-        glMultMatrixf(matRot)
-        glRotate(180,1,0,0)             #fix to flip about x-axis
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glDisable(GL.GL_LIGHTING)
+        GL.glRasterPos3f(0,0,0)
+        GL.glMultMatrixf(matRot)
+        GL.glRotate(180,1,0,0)             #fix to flip about x-axis
         text = gltext.TextElement(text=label,font=Font,foreground=wx.WHITE)
         text.draw_text(scale=0.025)
-        glEnable(GL_LIGHTING)
-        glPopMatrix()
+        GL.glEnable(GL.GL_LIGHTING)
+        GL.glPopMatrix()
         
     def Draw(caller=''):
@@ -6199 +6143 @@
         VS = np.array(Page.canvas.GetSize())
         aspect = float(VS[0])/float(VS[1])
-        Zclip = 500.0
         Q = defaults['Quaternion']
         SetBackground()
-        glInitNames()
-        glPushName(0)
-        
-        glMatrixMode(GL_PROJECTION)
-        glLoadIdentity()
-        glViewport(0,0,VS[0],VS[1])
-        gluPerspective(20.,aspect,1.,500.)
-        gluLookAt(0,0,cPos,0,0,0,0,1,0)
+        GL.glInitNames()
+        GL.glPushName(0)
+        
+        GL.glMatrixMode(GL.GL_PROJECTION)
+        GL.glLoadIdentity()
+        GL.glViewport(0,0,VS[0],VS[1])
+        GLU.gluPerspective(20.,aspect,1.,500.)
+        GLU.gluLookAt(0,0,cPos,0,0,0,0,1,0)
         SetLights()            
             
-        glMatrixMode(GL_MODELVIEW)
-        glLoadIdentity()
+        GL.glMatrixMode(GL.GL_MODELVIEW)
+        GL.glLoadIdentity()
         matRot = G2mth.Q2Mat(Q)
         matRot = np.concatenate((np.concatenate((matRot,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
-        glMultMatrixf(matRot.T)
+        GL.glMultMatrixf(matRot.T)
         RenderUnitVectors(0.,0.,0.)
         radius = 0.2
@@ -6250 +6193 @@
             print Fname+' saved'
             size = Page.canvas.GetSize()
-            glPixelStorei(GL_UNPACK_ALIGNMENT, 1)
+            GL.glPixelStorei(GL.GL_UNPACK_ALIGNMENT, 1)
             if mode in ['jpeg',]:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGBA, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGBA, GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGBA", (size[0],size[1]))
             else:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGB, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGB, GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGB", (size[0],size[1]))
             try:
@@ -6270 +6213 @@
     if new:
         Page.views = False
-        view = False
-        altDown = False
     Page.name = rbData['RBname']
     Page.Choice = None
@@ -6347 +6288 @@
         na = max(int(8./cell[0]),1)
         nb = max(int(8./cell[1]),1)
-        nunit = [na,nb,0]
         indA = range(-na,na)
         indB = range(-nb,nb)
@@ -6376 +6316 @@
             Fname = (os.path.splitext(projFile)[0]+'.'+mode).replace('*','+')
             size = Page.canvas.GetSize()
-            glPixelStorei(GL_UNPACK_ALIGNMENT, 1)
+            GL.glPixelStorei(GL.GL_UNPACK_ALIGNMENT, 1)
             if mode in ['jpeg',]:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGBA, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGBA, GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGBA", (size[0],size[1]))
             else:
-                Pix = glReadPixels(0,0,size[0],size[1],GL_RGB, GL_UNSIGNED_BYTE)
+                Pix = GL.glReadPixels(0,0,size[0],size[1],GL.GL_RGB, GL.GL_UNSIGNED_BYTE)
                 im = Im.new("RGB", (size[0],size[1]))
             try:
@@ -6455 +6395 @@
             if event.LeftIsDown():
                 SetRotation(newxy)
-                Q = defaults['Quaternion']
             elif event.RightIsDown():
                 SetTranslation(newxy)
@@ -6461 +6400 @@
             elif event.MiddleIsDown():
                 SetRotationZ(newxy)
-                Q = defaults['Quaternion']
             Draw('move')
         
@@ -6471 +6409 @@
     def SetBackground():
         R,G,B,A = Page.camera['backColor']
-        glClearColor(R,G,B,A)
-        glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT)
+        GL.glClearColor(R,G,B,A)
+        GL.glClear(GL.GL_COLOR_BUFFER_BIT | GL.GL_DEPTH_BUFFER_BIT)
         
     def SetLights():
-        glEnable(GL_DEPTH_TEST)
-        glShadeModel(GL_FLAT)
-        glEnable(GL_LIGHTING)
-        glEnable(GL_LIGHT0)
-        glLightModeli(GL_LIGHT_MODEL_TWO_SIDE,0)
-        glLightfv(GL_LIGHT0,GL_AMBIENT,[1,1,1,.8])
-        glLightfv(GL_LIGHT0,GL_DIFFUSE,[1,1,1,1])
+        GL.glEnable(GL.GL_DEPTH_TEST)
+        GL.glShadeModel(GL.GL_FLAT)
+        GL.glEnable(GL.GL_LIGHTING)
+        GL.glEnable(GL.GL_LIGHT0)
+        GL.glLightModeli(GL.GL_LIGHT_MODEL_TWO_SIDE,0)
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_AMBIENT,[1,1,1,.8])
+        GL.glLightfv(GL.GL_LIGHT0,GL.GL_DIFFUSE,[1,1,1,1])
         
     def SetTranslation(newxy):
@@ -6522 +6460 @@
     def SetRotationZ(newxy):                        
 #first get rotation vector (= view vector) in screen coords. & angle increment        
-        View = glGetIntegerv(GL_VIEWPORT)
+        View = GL.glGetIntegerv(GL.GL_VIEWPORT)
         cent = [View[2]/2,View[3]/2]
         oldxy = defaults['oldxy']
@@ -6545 +6483 @@
 
     def RenderUnitVectors(x,y,z):
-        xyz = np.array([x,y,z])
-        glEnable(GL_COLOR_MATERIAL)
-        glLineWidth(1)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glBegin(GL_LINES)
+        GL.glEnable(GL.GL_COLOR_MATERIAL)
+        GL.glLineWidth(1)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glBegin(GL.GL_LINES)
         for line,color in zip(uEdges,uColors):
-            glColor3ubv(color)
-            glVertex3fv(line[0])
-            glVertex3fv(line[1])
-        glEnd()
-        glPopMatrix()
-        glColor4ubv([0,0,0,0])
-        glDisable(GL_COLOR_MATERIAL)
+            GL.glColor3ubv(color)
+            GL.glVertex3fv(line[0])
+            GL.glVertex3fv(line[1])
+        GL.glEnd()
+        GL.glPopMatrix()
+        GL.glColor4ubv([0,0,0,0])
+        GL.glDisable(GL.GL_COLOR_MATERIAL)
                 
     def RenderSphere(x,y,z,radius,color):
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
-        q = gluNewQuadric()
-        gluSphere(q,radius,20,10)
-        glPopMatrix()
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
+        q = GLU.gluNewQuadric()
+        GLU.gluSphere(q,radius,20,10)
+        GL.glPopMatrix()
         
     def RenderBonds(x,y,z,Bonds,radius,color,slice=20):
-        glMaterialfv(GL_FRONT_AND_BACK,GL_DIFFUSE,color)
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
+        GL.glMaterialfv(GL.GL_FRONT_AND_BACK,GL.GL_DIFFUSE,color)
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
         for Dx in Bonds:
-            glPushMatrix()
+            GL.glPushMatrix()
             Z = np.sqrt(np.sum(Dx**2))
             if Z:
                 azm = atan2d(-Dx[1],-Dx[0])
                 phi = acosd(Dx[2]/Z)
-                glRotate(-azm,0,0,1)
-                glRotate(phi,1,0,0)
-                q = gluNewQuadric()
-                gluCylinder(q,radius,radius,Z,slice,2)
-            glPopMatrix()            
-        glPopMatrix()
+                GL.glRotate(-azm,0,0,1)
+                GL.glRotate(phi,1,0,0)
+                q = GLU.gluNewQuadric()
+                GLU.gluCylinder(q,radius,radius,Z,slice,2)
+            GL.glPopMatrix()            
+        GL.glPopMatrix()
                 
     def RenderLabel(x,y,z,label,matRot):       
-        glPushMatrix()
-        glTranslate(x,y,z)
-        glMultMatrixf(B4mat.T)
-        glDisable(GL_LIGHTING)
-        glRasterPos3f(0,0,0)
-        glMultMatrixf(matRot)
-        glRotate(180,1,0,0)             #fix to flip about x-axis
+        GL.glPushMatrix()
+        GL.glTranslate(x,y,z)
+        GL.glMultMatrixf(B4mat.T)
+        GL.glDisable(GL.GL_LIGHTING)
+        GL.glRasterPos3f(0,0,0)
+        GL.glMultMatrixf(matRot)
+        GL.glRotate(180,1,0,0)             #fix to flip about x-axis
         text = gltext.TextElement(text=label,font=Font,foreground=wx.WHITE)
         text.draw_text(scale=0.025)
-        glEnable(GL_LIGHTING)
-        glPopMatrix()
+        GL.glEnable(GL.GL_LIGHTING)
+        GL.glPopMatrix()
         
     def Draw(caller=''):
@@ -6609 +6546 @@
         VS = np.array(Page.canvas.GetSize())
         aspect = float(VS[0])/float(VS[1])
-        Zclip = 500.0
         Tx,Ty,Tz = defaults['viewPoint'][0]
         Q = defaults['Quaternion']
         SetBackground()
-        glInitNames()
-        glPushName(0)
-        
-        glMatrixMode(GL_PROJECTION)
-        glLoadIdentity()
-        glViewport(0,0,VS[0],VS[1])
-        gluPerspective(20.,aspect,1.,500.)
-        gluLookAt(0,0,cPos,0,0,0,0,1,0)
+        GL.glInitNames()
+        GL.glPushName(0)
+        
+        GL.glMatrixMode(GL.GL_PROJECTION)
+        GL.glLoadIdentity()
+        GL.glViewport(0,0,VS[0],VS[1])
+        GLU.gluPerspective(20.,aspect,1.,500.)
+        GLU.gluLookAt(0,0,cPos,0,0,0,0,1,0)
         SetLights()            
             
-        glMatrixMode(GL_MODELVIEW)
-        glLoadIdentity()
+        GL.glMatrixMode(GL.GL_MODELVIEW)
+        GL.glLoadIdentity()
         matRot = G2mth.Q2Mat(Q)
         matRot = np.concatenate((np.concatenate((matRot,[[0],[0],[0]]),axis=1),[[0,0,0,1],]),axis=0)
-        glMultMatrixf(matRot.T)
-        glMultMatrixf(A4mat.T)
-        glTranslate(-Tx,-Ty,-Tz)
+        GL.glMultMatrixf(matRot.T)
+        GL.glMultMatrixf(A4mat.T)
+        GL.glTranslate(-Tx,-Ty,-Tz)
         RenderUnitVectors(0.,0.,0.)
         bondRad = 0.1
@@ -6636 +6572 @@
             bondRad = 0.05
             atomRad = 0.2
-        glShadeModel(GL_SMOOTH)
+        GL.glShadeModel(GL.GL_SMOOTH)
         for iat,atom in enumerate(XYZ):
             x,y,z = atom
@@ -6683 +6619 @@
         Page.labels = False
         Page.fade = False
-        view = False
-        altDown = False
     choice = [' save as:','jpeg','tiff','bmp','use keys for:','L - toggle labels']
     if len(laySeq) == 2:

trunk/GSASIIpwdGUI.py

@@ -43 +43 @@
 import GSASIIElem as G2elem
 import GSASIIsasd as G2sasd
-import GSASIIexprGUI as G2exG
 VERY_LIGHT_GREY = wx.Colour(235,235,235)
 WACV = wx.ALIGN_CENTER_VERTICAL
@@ -91 +90 @@
         self.panel.Destroy()
         self.panel = wx.Panel(self)
-        Ind = {}
         mainSizer = wx.BoxSizer(wx.VERTICAL)
         mainSizer.Add(wx.StaticText(self.panel,label='Background RDF controls:'),0,WACV)
@@ -426 +424 @@
     def OnAutoSearch(event):
         PatternId = G2frame.PatternId
-        PickId = G2frame.PickId
         limits = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Limits'))[1]
         inst,inst2 = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Instrument Parameters'))
@@ -631 +628 @@
         print 'Peak Fitting with '+controls['deriv type']+' derivatives:'
         PatternId = G2frame.PatternId
-        PickId = G2frame.PickId
         peaks = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Peak List'))
         if not peaks:
@@ -661 +657 @@
     def OnResetSigGam(event):
         PatternId = G2frame.PatternId
-        PickId = G2frame.PickId
         Inst,Inst2 = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Instrument Parameters'))
         peaks = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Peak List'))
@@ -674 +669 @@
                 
     def RefreshPeakGrid(event):
-        r,c =  event.GetRow(),event.GetCol()
         
         event.StopPropagation()
@@ -1039 +1033 @@
         PatternId = G2frame.PatternId        
         background = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Background'))
-        limits = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Limits'))[1]
         inst,inst2 = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Instrument Parameters'))
         pwddata = G2frame.PatternTree.GetItemPyData(PatternId)[1]
@@ -1402 +1395 @@
             G2frame.ErrorDialog('No match','No histograms match '+hst,G2frame.dataFrame)
             return
-        copyList = []
         dlg = G2G.G2MultiChoiceDialog(
             G2frame.dataFrame, 
@@ -1936 +1928 @@
                         fmt = '%12.6g'
                         nDig = (12,6)
-                    Fmt = ' %s: ('+fmt+')'
                     instSizer.Add(
                             wx.StaticText(G2frame.dataDisplay,-1,lblWdef(item,nDig[1],insDef[item])),
@@ -2045 +2036 @@
         insDef = dict(zip(instkeys,[data[key][0] for key in instkeys]))
         insRef = {}
-    ValObj = {}
     RefObj = {}
     waves = {'CuKa':[1.54051,1.54433],'TiKa':[2.74841,2.75207],'CrKa':[2.28962,2.29351],
@@ -2630 +2620 @@
     def KeyEditPickGrid(event):
         colList = G2frame.dataDisplay.GetSelectedCols()
-        rowList = G2frame.dataDisplay.GetSelectedRows()
         data = G2frame.PatternTree.GetItemPyData(IndexId)
         if event.GetKeyCode() == wx.WXK_RETURN:
@@ -2882 +2871 @@
         
     def SetCellValue(Obj,ObjId,value):
-        ibrav = bravaisSymb.index(controls[5])
         if controls[5] in ['Fm3m','Im3m','Pm3m']:
             controls[6] = controls[7] = controls[8] = value
@@ -2965 +2953 @@
     def OnHklShow(event):
         PatternId = G2frame.PatternId
-        PickId = G2frame.PickId    
         peaks = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Index Peak List'))
-        limits = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Limits'))[1]
         controls,bravais,cells,dminx,ssopt = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Unit Cells List'))
         cell = controls[6:12]
@@ -3050 +3036 @@
              
         PatternId = G2frame.PatternId
-        PickId = G2frame.PickId    
         peaks = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Index Peak List'))
         if not len(peaks[0]):
@@ -3430 +3415 @@
             3*[wg.GRID_VALUE_FLOAT+':10,5',]+3*[wg.GRID_VALUE_FLOAT+':10,3',]+ \
             [wg.GRID_VALUE_FLOAT+':10,2',wg.GRID_VALUE_BOOL]
-        numRows = len(cells)
         table = []
         for cell in cells:
@@ -3553 +3537 @@
         else:
             Super = 0
-            SuperVec = []       
         rowLabels = []
         if HKLF:
@@ -4672 +4655 @@
         data['BackFile'] = backFile.GetValue()
         if data['BackFile']:
-            fixBack =  data['Back'][0]
             BackId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,data['BackFile'])
             BackSample = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,BackId, 'Sample Parameters'))
@@ -4787 +4769 @@
     else:                                #initial setting at 90% of max Q
         data['QScaleLim'][0] = 0.90*data['QScaleLim'][1]
-    azimuth = inst['Azimuth'][1]
     itemDict = {}
     #patch
@@ -4915 +4896 @@
         G2plt.PlotISFG(G2frame,newPlot=False)
         
-    def OnPolaVal(event):
-        event.Skip()
-        try:
-            value = float(polaVal.GetValue())
-            if not (0.0 <= value <= 1.0):
-                raise ValueError
-        except ValueError:
-            value = inst['Polariz.'][1]
-        inst['Polariz.'][1] = value
-        polaVal.SetValue('%.2f'%(inst['Polariz.'][1]))
-        UpdatePDFGrid(G2frame,data)
-        auxPlot = ComputePDF(data)
-        G2plt.PlotISFG(G2frame,newPlot=False)
-                
-    def OnAzimVal(event):
-        event.Skip()
-        try:
-            value = float(azimVal.GetValue())
-            if not (0. <= value <= 360.):
-                raise ValueError
-        except ValueError:
-            value = inst['Azimuth'][1]
-        inst['Azimuth'][1] = value
-        azimVal.SetValue('%.1f'%(inst['Azimuth'][1]))
-        UpdatePDFGrid(G2frame,data)
-        auxPlot = ComputePDF(data)
-        G2plt.PlotISFG(G2frame,newPlot=False)
-                        
+#    def OnPolaVal(event):
+#        event.Skip()
+#        try:
+#            value = float(polaVal.GetValue())
+#            if not (0.0 <= value <= 1.0):
+#                raise ValueError
+#        except ValueError:
+#            value = inst['Polariz.'][1]
+#        inst['Polariz.'][1] = value
+#        polaVal.SetValue('%.2f'%(inst['Polariz.'][1]))
+#        UpdatePDFGrid(G2frame,data)
+#        auxPlot = ComputePDF(data)
+#        G2plt.PlotISFG(G2frame,newPlot=False)
+#                
+#    def OnAzimVal(event):
+#        event.Skip()
+#        try:
+#            value = float(azimVal.GetValue())
+#            if not (0. <= value <= 360.):
+#                raise ValueError
+#        except ValueError:
+#            value = inst['Azimuth'][1]
+#        inst['Azimuth'][1] = value
+#        azimVal.SetValue('%.1f'%(inst['Azimuth'][1]))
+#        UpdatePDFGrid(G2frame,data)
+#        auxPlot = ComputePDF(data)
+#        G2plt.PlotISFG(G2frame,newPlot=False)
+#                        
     def OnObliqCoeff(event):
         event.Skip()
@@ -5138 +5119 @@
             if name:
                 xydata[key] = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.root,name))
-                PDFname = name
         powName = Data['Sample']['Name']
         powId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,powName)

trunk/GSASIIspc.py

@@ -16 +16 @@
 ########### SVN repository information ###################
 import numpy as np
-import numpy.ma as ma
 import numpy.linalg as nl
 import scipy.optimize as so
-import math
 import sys
 import copy
@@ -1087 +1085 @@
                 
     def extendSSGOps(SSGOps):
-        nOps = len(SSGOps)
         for OpA in SSGOps:
             OpAtxt = SSMT2text(OpA)
@@ -1765 +1762 @@
     OpM = np.array([op[0] for op in Ops],order='F')
     OpT = np.array([op[1] for op in Ops])
-    Inv = SGData['SGInv']
     Cen = np.array([cen for cen in SGData['SGCen']],order='F')
     
@@ -1932 +1928 @@
     '  2(+0-)':( 9,22, 9,19),'  m(+0-)':(19,22, 9,19),'2/m(+0-)':( 1,22, 0,-1),'   2(xy)':( 6,19, 6,18),
     '   m(xy)':(18,19, 6,18),' 2/m(xy)':( 1,19, 0,-1),'  2(+-0)':( 7,20, 7,17),'  m(+-0)':(17,20, 7,17),
-    '2/m(+-0)':( 1,20, 0,-1),'  mm2(x)':(12,10, 0,-1),'  mm2(y)':(13,10, 0,-1),'  mm2(z)':(14,10, 0,-1),
+    '2/m(+-0)':( 1,20, 17,-1),'  mm2(x)':(12,10, 0,-1),'  mm2(y)':(13,10, 0,-1),'  mm2(z)':(14,10, 0,-1),
     ' mm2(yz)':(10,13, 0,-1),'mm2(0+-)':(11,13, 0,-1),' mm2(xz)':( 8,12, 0,-1),'mm2(+0-)':( 9,12, 0,-1),
     ' mm2(xy)':( 6,11, 0,-1),'mm2(+-0)':( 7,11, 0,-1),'  222   ':( 1,10, 0,-1),'  222(x)':( 1,13, 0,-1),
@@ -2166 +2162 @@
         delt2 = np.eye(2)*0.001
         FSC = np.ones(2,dtype='i')
-        VFSC = np.ones(2)
         CSI = [np.zeros((2),dtype='i'),np.zeros(2)]
         if 'Crenel' in waveType:
@@ -2411 +2406 @@
             [[1.,0.,0.],[1.,0.,0.],[1.,0.,0.], [1.,0.,0.],[1.,0.,0.],[1.,0.,0.]]],}
     xyz = np.array(XYZ)%1.
-    xyzt = np.array(XYZ+[0,])%1.
     SGOps = copy.deepcopy(SGData['SGOps'])
     laue = SGData['SGLaue']
@@ -2689 +2683 @@
 
     '''
-    SymName = ''
     Mult = 1
     Isym = 0
@@ -2725 +2718 @@
     So far I have the element type... getting all possible locations without lookup may be impossible!
     '''
-    SymElements = []
     Inv = SGData['SGInv']
-    Cen = SGData['SGCen']
     eleSym = {-3:['','-1'],-2:['',-6],-1:['2','-4'],0:['3','-3'],1:['4','m'],2:['6',''],3:['1','']}
     # get operators & expand if centrosymmetric
@@ -3414 +3405 @@
 #66        
     'C c c m':['(00g)','(00g)s00','(10g)','(10g)s00','(0b0)','(0b0)00s','(0b0)s0s','(0b0)s00',],
-    'A m m a':['(a00)','(a00)0s0','(a10)','(a10)0s0','(00g)','(00g)s00','(00g)ss0','(00g)0s0',],
+    'A a m a':['(a00)','(a00)0s0','(a10)','(a10)0s0','(00g)','(00g)s00','(00g)ss0','(00g)0s0',],
     'B b m b':['(0b0)','(0b0)00s','(0b1)','(0b1)00s','(a00)','(a00)0s0','(a00)0ss','(a00)00s',],
 #67        
@@ -3774 +3765 @@
         result = SpcGroup(spc)
         if result[0] == referr and referr > 0: return True
-        keys = result[1].keys()
-        #print result[1]['SpGrp']
+#        #print result[1]['SpGrp']
         #msg = msg0 + " in list lengths"
         #assert len(keys) == len(refdict.keys()), msg