- Timestamp:
- Feb 12, 2021 10:59:21 AM (2 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
-
GSASIIctrlGUI.py (modified) (4 diffs)
-
GSASIImath.py (modified) (1 diff)
-
GSASIIphsGUI.py (modified) (5 diffs)
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIctrlGUI.py
r4801 r4811 777 777 if self.OnLeave: 778 778 self.event = event 779 self.OnLeave(invalid=self.invalid,value=self.result[self.key], 780 tc=self,**self.OnLeaveArgs) 781 779 try: 780 self.OnLeave(invalid=self.invalid,value=self.result[self.key], 781 tc=self,**self.OnLeaveArgs) 782 except: 783 pass 782 784 ################################################################################ 783 785 class NumberValidator(wx.PyValidator): … … 2714 2716 else: 2715 2717 self.valItem = wx.TextCtrl(self.panel,-1,value=self.value,size=size) 2716 sizer1.Add(self.valItem,0,wx.ALIGN_CENTER)2717 2718 if help: 2718 sizer1.Add(HelpButton(self.panel,help),0,wx.ALIGN_RIGHT|wx.ALL) 2719 mainSizer.Add(sizer1,0,wx.ALIGN_CENTER) 2719 sizer1.Add((-1,-1),1,wx.EXPAND) 2720 sizer1.Add(self.valItem,0,wx.ALIGN_CENTER) 2721 sizer1.Add((-1,-1),1,wx.EXPAND) 2722 sizer1.Add(HelpButton(self.panel,help),0,wx.ALL) 2723 else: 2724 sizer1.Add(self.valItem,0,wx.ALIGN_CENTER) 2725 mainSizer.Add(sizer1,0,wx.EXPAND) 2720 2726 btnsizer = wx.StdDialogButtonSizer() 2721 2727 OKbtn = wx.Button(self.panel, wx.ID_OK) … … 3576 3582 mainSizer.Add((0,10)) 3577 3583 for line in text: 3578 mainSizer.Add(wx.StaticText(self.panel,label=' %s '%(line)) ,0,WACV)3584 mainSizer.Add(wx.StaticText(self.panel,label=' %s '%(line))) 3579 3585 ncol = self.table[0].count(',')+1 3580 3586 tableSizer = wx.FlexGridSizer(0,2*ncol+3,0,0) … … 3583 3589 if 'for' in item: 3584 3590 mainSizer.Add(tableSizer,0,wx.ALIGN_LEFT) 3585 mainSizer.Add(wx.StaticText(self.panel,label=item),0 ,WACV)3591 mainSizer.Add(wx.StaticText(self.panel,label=item),0) 3586 3592 tableSizer = wx.FlexGridSizer(0,2*ncol+3,0,0) 3587 3593 continue -
trunk/GSASIImath.py
r4789 r4811 380 380 'Converged':ifConverged, 'DelChi2':deltaChi2, 'chisq0':chisq00}) 381 381 if icycle > 0: info.update({'Xvec':XvecAll}) 382 setSVDwarn(info,Amat lam,Nzeros,indices)382 setSVDwarn(info,Amat,Nzeros,indices) 383 383 # expand Bmat by filling with zeros if columns have been dropped 384 384 if len(psing_prev): -
trunk/GSASIIphsGUI.py
r4809 r4811 9980 9980 RBId = Indx[Obj.GetId()] 9981 9981 RBObjs = data['RBModels']['Residue'] 9982 for rbObj in RBObjs:9982 for i,rbObj in enumerate(RBObjs): 9983 9983 if RBId == rbObj['RBId']: 9984 9984 RBData['Residue'][RBId]['useCount'] -= 1 9985 d ata['RBModels']['Residue'].remove(rbObj)9985 del data['RBModels']['Residue'][i] 9986 9986 G2plt.PlotStructure(G2frame,data) 9987 9987 wx.CallAfter(FillRigidBodyGrid,True) … … 10010 10010 topLine.Add(wx.StaticText(RigidBodies,-1, 10011 10011 ' Rigid body {} axis is aligned along oriention vector'.format(lbl)),0,WACV) 10012 varname = str(data['pId'])+'::RBRxxx:'+resVarLookup[resIndx] 10012 try: 10013 varname = str(data['pId'])+'::RBRxxx:'+resVarLookup[resIndx] 10014 except: # happens when phase has no histograms 10015 varname = '?::RBRxxx:'+resVarLookup[resIndx] 10013 10016 topLine.Add(wx.StaticText(RigidBodies,-1, 10014 10017 ' (variables '+varname+')'),0,WACV) … … 10152 10155 try: 10153 10156 rbName = RBnames[resId] 10154 except TypeError:10157 except: 10155 10158 resId = 0 10156 10159 rbName = RBnames[resId] … … 12852 12855 G2frame.Bind(wx.EVT_MENU, OnPawleyToggle, id=G2G.wxID_PAWLEYSELTOGGLE) 12853 12856 12854 # UpdatePhaseData execution starts here12855 #patch12856 if 'RBModels' not in data:12857 data['RBModels'] = {}12858 if 'MCSA' not in data:12859 data['MCSA'] = {'Models':[{'Type':'MD','Coef':[1.0,False,[.8,1.2],],'axis':[0,0,1]}],'Results':[],'AtInfo':{}}12860 #if isinstance(data['MCSA']['Results'],dict):12861 if 'dict' in str(type(data['MCSA']['Results'])):12862 data['MCSA']['Results'] = []12863 if 'Modulated' not in data['General']:12864 data['General']['Modulated'] = False12865 if 'doDysnomia' not in data['General']:12866 data['General']['doDysnomia'] = False12867 if 'modulated' in data['General']['Type']:12868 data['General']['Modulated'] = True12869 data['General']['Type'] = 'nuclear'12870 if 'RMC' not in data:12871 data['RMC'] = {'RMCProfile':{},'fullrmc':{}}12872 #end patch12873 12874 global rbAtmDict12875 rbAtmDict = {}12876 misc = {}12877 PhaseName = G2frame.GPXtree.GetItemText(Item)12878 G2gd.SetDataMenuBar(G2frame)12879 G2frame.phaseDisplay = G2G.GSNoteBook(parent=G2frame.dataWindow)12880 G2frame.dataWindow.GetSizer().Add(G2frame.phaseDisplay,1,wx.ALL|wx.EXPAND,1)12881 G2frame.phaseDisplay.gridList = [] # list of all grids in notebook12882 Pages = []12883 General = wx.ScrolledWindow(G2frame.phaseDisplay)12884 G2frame.phaseDisplay.AddPage(General,'General')12885 Pages.append('General')12886 DData = wx.ScrolledWindow(G2frame.phaseDisplay)12887 G2frame.phaseDisplay.AddPage(DData,'Data')12888 Pages.append('Data')12889 Atoms = G2G.GSGrid(G2frame.phaseDisplay)12890 # Atoms.SetScrollRate(0,0)12891 G2frame.phaseDisplay.gridList.append(Atoms)12892 G2frame.phaseDisplay.AddPage(Atoms,'Atoms')12893 Pages.append('Atoms')12894 if data['General']['Modulated']:12895 G2frame.waveData = wx.ScrolledWindow(G2frame.phaseDisplay)12896 G2frame.phaseDisplay.AddPage(G2frame.waveData,'Wave Data')12897 Pages.append('Wave Data')12898 if data['General']['Type'] == 'faulted':12899 G2frame.layerData = wx.ScrolledWindow(G2frame.phaseDisplay)12900 G2frame.phaseDisplay.AddPage(G2frame.layerData,'Layers')12901 Pages.append('Layers')12902 drawOptions = wx.ScrolledWindow(G2frame.phaseDisplay)12903 G2frame.phaseDisplay.AddPage(drawOptions,'Draw Options')12904 Pages.append('Draw Options')12905 drawAtoms = G2G.GSGrid(G2frame.phaseDisplay)12906 # drawAtoms.SetScrollRate(0,0)12907 G2frame.phaseDisplay.gridList.append(drawAtoms)12908 G2frame.phaseDisplay.AddPage(drawAtoms,'Draw Atoms')12909 Pages.append('Draw Atoms')12910 12857 def rbKeyPress(event): 12911 12858 '''Respond to a Tab to highlight the next RB or crystal atom … … 12957 12904 G2frame.Raise() 12958 12905 return 12906 12907 # UpdatePhaseData execution starts here 12908 #patch 12909 if 'RBModels' not in data: 12910 data['RBModels'] = {} 12911 if 'MCSA' not in data: 12912 data['MCSA'] = {'Models':[{'Type':'MD','Coef':[1.0,False,[.8,1.2],],'axis':[0,0,1]}],'Results':[],'AtInfo':{}} 12913 #if isinstance(data['MCSA']['Results'],dict): 12914 if 'dict' in str(type(data['MCSA']['Results'])): 12915 data['MCSA']['Results'] = [] 12916 if 'Modulated' not in data['General']: 12917 data['General']['Modulated'] = False 12918 if 'doDysnomia' not in data['General']: 12919 data['General']['doDysnomia'] = False 12920 if 'modulated' in data['General']['Type']: 12921 data['General']['Modulated'] = True 12922 data['General']['Type'] = 'nuclear' 12923 if 'RMC' not in data: 12924 data['RMC'] = {'RMCProfile':{},'fullrmc':{}} 12925 #end patch 12926 12927 global rbAtmDict 12928 rbAtmDict = {} 12929 misc = {} 12930 PhaseName = G2frame.GPXtree.GetItemText(Item) 12931 G2gd.SetDataMenuBar(G2frame) 12932 G2frame.phaseDisplay = G2G.GSNoteBook(parent=G2frame.dataWindow) 12933 G2frame.dataWindow.GetSizer().Add(G2frame.phaseDisplay,1,wx.ALL|wx.EXPAND,1) 12934 G2frame.phaseDisplay.gridList = [] # list of all grids in notebook 12935 Pages = [] 12936 General = wx.ScrolledWindow(G2frame.phaseDisplay) 12937 G2frame.phaseDisplay.AddPage(General,'General') 12938 Pages.append('General') 12939 DData = wx.ScrolledWindow(G2frame.phaseDisplay) 12940 G2frame.phaseDisplay.AddPage(DData,'Data') 12941 Pages.append('Data') 12942 Atoms = G2G.GSGrid(G2frame.phaseDisplay) 12943 # Atoms.SetScrollRate(0,0) 12944 G2frame.phaseDisplay.gridList.append(Atoms) 12945 G2frame.phaseDisplay.AddPage(Atoms,'Atoms') 12946 Pages.append('Atoms') 12947 if data['General']['Modulated']: 12948 G2frame.waveData = wx.ScrolledWindow(G2frame.phaseDisplay) 12949 G2frame.phaseDisplay.AddPage(G2frame.waveData,'Wave Data') 12950 Pages.append('Wave Data') 12951 if data['General']['Type'] == 'faulted': 12952 G2frame.layerData = wx.ScrolledWindow(G2frame.phaseDisplay) 12953 G2frame.phaseDisplay.AddPage(G2frame.layerData,'Layers') 12954 Pages.append('Layers') 12955 drawOptions = wx.ScrolledWindow(G2frame.phaseDisplay) 12956 G2frame.phaseDisplay.AddPage(drawOptions,'Draw Options') 12957 Pages.append('Draw Options') 12958 drawAtoms = G2G.GSGrid(G2frame.phaseDisplay) 12959 # drawAtoms.SetScrollRate(0,0) 12960 G2frame.phaseDisplay.gridList.append(drawAtoms) 12961 G2frame.phaseDisplay.AddPage(drawAtoms,'Draw Atoms') 12962 Pages.append('Draw Atoms') 12959 12963 12960 12964 if data['General']['Type'] not in ['faulted',] and not data['General']['Modulated']:
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