Changeset 3554
- Timestamp:
- Aug 6, 2018 8:27:37 AM (4 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIdataGUI.py
r3543 r3554 7875 7875 data = G2frame.GPXtree.GetItemPyData(item) 7876 7876 if not data: 7877 data.append([0,0.0,4,25.0,0,'P1',1.,1.,1.,90.,90.,90. ]) #zero error flag, zero value, max Nc/No, start volume7877 data.append([0,0.0,4,25.0,0,'P1',1.,1.,1.,90.,90.,90.,1.,'P 1']) #zero error flag, zero value, max Nc/No, start volume 7878 7878 data.append([0,0,0,0,0,0,0,0,0,0,0,0,0,0]) #Bravais lattice flags 7879 7879 data.append([]) #empty cell list -
trunk/GSASIIphsGUI.py
r3521 r3554 413 413 caption='Bilbao MAXMAGN error',style=wx.ICON_EXCLAMATION) 414 414 return 415 dlg = G2G.MultiFloatDialog(self,title='Propagation vector',prompts=[' kx','ky','kz'],415 dlg = G2G.MultiFloatDialog(self,title='Propagation vector',prompts=[' kx',' ky',' kz'], 416 416 values=self.kvec,limits=[[0.,1.],[0.,1.],[0.,1.]],formats=['%4.1f','%4.1f','%4.1f']) 417 417 if dlg.ShowModal() == wx.ID_OK: -
trunk/GSASIIpwdGUI.py
r3521 r3554 2767 2767 elif controls[5] in ['C2/m','P2/m']: 2768 2768 controls[9] = controls[11] = 90. # b unique 2769 if len(controls) < 13: controls.append(0)2769 # if len(controls) < 13: controls.append(0) 2770 2770 controls[12] = G2lat.calc_V(G2lat.cell2A(controls[6:12])) 2771 2771 return ibrav … … 3020 3020 controls[4] = 1 3021 3021 controls[5] = bravaisSymb[cell[0]] 3022 controls[6:1 2] = cell[1:8]3022 controls[6:13] = cell[1:8] 3023 3023 controls[12] = G2lat.calc_V(G2lat.cell2A(controls[6:12])) 3024 3024 controls[13] = spaceGroups[bravaisSymb.index(controls[5])] … … 3044 3044 controls[5] = (SGData['SGLatt']+SGData['SGLaue']).replace('-','') 3045 3045 if 'R' in controls[5]: controls[5] = 'R3-H' 3046 controls[6:1 2] = Cell[1:8]3046 controls[6:13] = Cell[1:8] 3047 3047 controls[13] = SGData['SpGrp'] 3048 G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt])3048 # G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt]) 3049 3049 G2frame.dataWindow.RefineCell.Enable(True) 3050 OnHklShow(None) 3050 3051 wx.CallAfter(UpdateUnitCellsGrid,G2frame,data) 3051 3052 … … 3062 3063 controls[5] = (SGData['SGLatt']+SGData['SGLaue']).replace('-','') 3063 3064 if 'R' in controls[5]: controls[5] = 'R3-H' 3064 controls[6:1 2] = Cell[1:8]3065 controls[6:13] = Cell[1:8] 3065 3066 controls[13] = SGData['SpGrp'] 3066 G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt])3067 # G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt]) 3067 3068 G2frame.dataWindow.RefineCell.Enable(True) 3069 OnHklShow(None) 3068 3070 wx.CallAfter(UpdateUnitCellsGrid,G2frame,data) 3069 3071 … … 3336 3338 newSpGrp = '' 3337 3339 BNSlatt = '' 3340 E,SGData = G2spc.SpcGroup(controls[13]) 3338 3341 phase = {'General':{'Name':'','Type':Type,'Cell':['',]+controls[6:13],'SGData':SGData}} 3339 3342 dlg = G2phsG.TransformDialog(G2frame,phase,Trans,Uvec,Vvec,ifMag,newSpGrp,BNSlatt) … … 3374 3377 3375 3378 controls,bravais,cells,dminx,ssopt = data 3376 if len(controls) < 13: #add cell volume if missing3379 if len(controls) < 13: #add cell volume & space group if missing 3377 3380 controls.append(G2lat.calc_V(G2lat.cell2A(controls[6:12]))) 3378 if len(controls) < 14: #add space group used in indexing3379 3381 controls.append(spaceGroups[bravaisSymb.index(controls[5])]) 3382 controls,bravais,cells,dminx,ssopt = data 3380 3383 SGData = ssopt.get('SGData',G2spc.SpcGroup(controls[13])[1]) 3381 3384 G2frame.GPXtree.SetItemPyData(UnitCellsId,data) #update with volume
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