Changeset 2746

Timestamp:

Mar 7, 2017 9:26:15 AM (6 years ago)

Author:

vondreele

Message:

fix another Lebail bug
dress up some formatting for mustrain & size parameters - more sensible no.of places past decimal pt.

Location:

trunk

Files:

• GSASIIddataGUI.py (modified) (4 diffs)
• GSASIIstrIO.py (modified) (6 diffs)

trunk/GSASIIddataGUI.py

@@ -230 +230 @@
             pass
         if UseList[G2frame.hist]['Mustrain'][0] == 'generalized':
-            Obj.SetValue("%.3f"%(UseList[G2frame.hist]['Mustrain'][4][pid]))          #reset in case of error
+            Obj.SetValue("%.1f"%(UseList[G2frame.hist]['Mustrain'][4][pid]))          #reset in case of error
         else:
             Obj.SetValue("%.1f"%(UseList[G2frame.hist]['Mustrain'][1][pid]))          #reset in case of error
@@ -449 +449 @@
             dataSizer.Add(strainRef,0,WACV)
 #        azmthOff = G2G.ValidatedTxtCtrl(G2frame.dataDisplay,data,'azmthOff',nDig=(10,2),typeHint=float,OnLeave=OnAzmthOff)
-            strainVal = wx.TextCtrl(DData,wx.ID_ANY,'%.5f'%(val),style=wx.TE_PROCESS_ENTER)
+            strainVal = wx.TextCtrl(DData,wx.ID_ANY,'%.1f'%(val),style=wx.TE_PROCESS_ENTER)
             Indx[strainVal.GetId()] = [G2frame.hist,id]
             strainVal.Bind(wx.EVT_TEXT_ENTER,OnStrainVal)
@@ -890 +890 @@
                 isoSizer.Add(ResetSizer('isotropic',OnResetSize),0,WACV)
                 bottomSizer.Add(isoSizer)
-                bottomSizer.Add(IsoSizer(u'size(\xb5m): ','Size','%.5f',
+                bottomSizer.Add(IsoSizer(u'size(\xb5m): ','Size','%.3f',
                     OnSizeVal,OnSizeRef),0,WACV|wx.BOTTOM,5)
             elif UseList[G2frame.hist]['Size'][0] == 'uniaxial':
@@ -900 +900 @@
                 bottomSizer.Add(UniSizer('Size',OnSizeAxis),0,WACV)
                 bottomSizer.Add(uniSizer)
-                bottomSizer.Add(UniDataSizer(u'size(\xb5m): ','Size','%.5f',OnSizeVal,OnSizeRef)
+                bottomSizer.Add(UniDataSizer(u'size(\xb5m): ','Size','%.3f',OnSizeVal,OnSizeRef)
                     ,0,WACV|wx.BOTTOM,5)
             elif UseList[G2frame.hist]['Size'][0] == 'ellipsoidal':

trunk/GSASIIstrIO.py

@@ -2114 +2114 @@
         if hapData[0] in ['isotropic','uniaxial']:
             line = '\n Size model    : %9s'%(hapData[0])
-            line += ' equatorial:'+'%12.5f'%(hapData[1][0])+' Refine? '+str(hapData[2][0])
+            line += ' equatorial:'+'%12.3f'%(hapData[1][0])+' Refine? '+str(hapData[2][0])
             if hapData[0] == 'uniaxial':
-                line += ' axial:'+'%12.5f'%(hapData[1][1])+' Refine? '+str(hapData[2][1])
+                line += ' axial:'+'%12.3f'%(hapData[1][1])+' Refine? '+str(hapData[2][1])
             line += '\n\t LG mixing coeff.: %12.4f'%(hapData[1][2])+' Refine? '+str(hapData[2][2])
             print >>pFile,line
@@ -2128 +2128 @@
             for i,name in enumerate(Snames):
                 ptlbls += '%12s' % (name)
-                ptstr += '%12.6f' % (hapData[4][i])
+                ptstr += '%12.3f' % (hapData[4][i])
                 varstr += '%12s' % (str(hapData[5][i]))
             print >>pFile,ptlbls
@@ -2151 +2151 @@
             for i,name in enumerate(Snames):
                 ptlbls += '%12s' % (name)
-                ptstr += '%12.6f' % (hapData[4][i])
+                ptstr += '%12.1f' % (hapData[4][i])
                 varstr += '%12s' % (str(hapData[5][i]))
             print >>pFile,ptlbls
@@ -2249 +2249 @@
                 for item in ['Scale','Extinction']:
                     hapDict[pfx+item] = hapData[item][0]
-                    if hapData[item][1]:
+                    if hapData[item][1] and not hapDict[pfx+'LeBail']:
                         hapVary.append(pfx+item)
                 names = G2spc.HStrainNames(SGData)
@@ -2258 +2258 @@
                     if hapData['HStrain'][1][i] and not hapDict[pfx+'LeBail']:
                         hapVary.append(pfx+name)
-                    controlDict[pfx+'poType'] = hapData['Pref.Ori.'][0]
-                    if hapData['Pref.Ori.'][0] == 'MD':
-                        hapDict[pfx+'MD'] = hapData['Pref.Ori.'][1]
-                        controlDict[pfx+'MDAxis'] = hapData['Pref.Ori.'][3]
+                controlDict[pfx+'poType'] = hapData['Pref.Ori.'][0]
+                if hapData['Pref.Ori.'][0] == 'MD':
+                    hapDict[pfx+'MD'] = hapData['Pref.Ori.'][1]
+                    controlDict[pfx+'MDAxis'] = hapData['Pref.Ori.'][3]
+                    if hapData['Pref.Ori.'][2] and not hapDict[pfx+'LeBail']:
+                        hapVary.append(pfx+'MD')
+                else:                           #'SH' spherical harmonics
+                    controlDict[pfx+'SHord'] = hapData['Pref.Ori.'][4]
+                    controlDict[pfx+'SHncof'] = len(hapData['Pref.Ori.'][5])
+                    controlDict[pfx+'SHnames'] = G2lat.GenSHCoeff(SGData['SGLaue'],'0',controlDict[pfx+'SHord'],False)
+                    controlDict[pfx+'SHhkl'] = []
+                    try: #patch for old Pref.Ori. items
+                        controlDict[pfx+'SHtoler'] = 0.1
+                        if hapData['Pref.Ori.'][6][0] != '':
+                            controlDict[pfx+'SHhkl'] = [eval(a.replace(' ',',')) for a in hapData['Pref.Ori.'][6]]
+                        controlDict[pfx+'SHtoler'] = hapData['Pref.Ori.'][7]
+                    except IndexError:
+                        pass
+                    for item in hapData['Pref.Ori.'][5]:
+                        hapDict[pfx+item] = hapData['Pref.Ori.'][5][item]
                         if hapData['Pref.Ori.'][2] and not hapDict[pfx+'LeBail']:
-                            hapVary.append(pfx+'MD')
-                    else:                           #'SH' spherical harmonics
-                        controlDict[pfx+'SHord'] = hapData['Pref.Ori.'][4]
-                        controlDict[pfx+'SHncof'] = len(hapData['Pref.Ori.'][5])
-                        controlDict[pfx+'SHnames'] = G2lat.GenSHCoeff(SGData['SGLaue'],'0',controlDict[pfx+'SHord'],False)
-                        controlDict[pfx+'SHhkl'] = []
-                        try: #patch for old Pref.Ori. items
-                            controlDict[pfx+'SHtoler'] = 0.1
-                            if hapData['Pref.Ori.'][6][0] != '':
-                                controlDict[pfx+'SHhkl'] = [eval(a.replace(' ',',')) for a in hapData['Pref.Ori.'][6]]
-                            controlDict[pfx+'SHtoler'] = hapData['Pref.Ori.'][7]
-                        except IndexError:
-                            pass
-                        for item in hapData['Pref.Ori.'][5]:
-                            hapDict[pfx+item] = hapData['Pref.Ori.'][5][item]
-                            if hapData['Pref.Ori.'][2] and not hapDict[pfx+'LeBail']:
-                                hapVary.append(pfx+item)
+                            hapVary.append(pfx+item)
                 for item in ['Mustrain','Size']:
                     controlDict[pfx+item+'Type'] = hapData[item][0]
@@ -2318 +2318 @@
                     print >>pFile,135*'='
                     if hapDict[pfx+'LeBail']:
-                        print >>pFile,' Perform Lebail extraction'                        
+                        print >>pFile,' Perform LeBail extraction'                        
                     else:
                         print >>pFile,' Phase fraction  : %10.4f'%(hapData['Scale'][0]),' Refine?',hapData['Scale'][1]