Changeset 4063
- Timestamp:
- Jul 15, 2019 3:14:18 PM (4 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIdataGUI.py
r4060 r4063 5350 5350 'Run Bilboa "Lattice Symmetry" to find higher symmetry cells') 5351 5351 self.RunSubGroups = self.IndexEdit.Append(G2G.wxID_RUNSUB,'Run SUBGROUPS', 5352 'If disabled, do Load Cellfirst')5352 'If disabled, do Load Phase first') 5353 5353 self.RunSubGroupsMag = self.IndexEdit.Append(G2G.wxID_RUNSUBMAG,'Run k-SUBGROUPMAG', 5354 'If disabled, do Load Cellfirst')5354 'If disabled, do Load Phase first') 5355 5355 self.CopyCell = self.IndexEdit.Append(G2G.wxID_COPYCELL,'Copy Cell', 5356 5356 'Copy selected unit cell from indexing to cell refinement fields') 5357 self.LoadCell = self.IndexEdit.Append(G2G.wxID_LOADCELL,'Load Cell from phase',5357 self.LoadCell = self.IndexEdit.Append(G2G.wxID_LOADCELL,'Load Phase', 5358 5358 'Load unit cell from a phase tree entry') 5359 5359 self.ImportCell = self.IndexEdit.Append(G2G.wxID_IMPORTCELL,'Import Cell', -
trunk/GSASIIpwdGUI.py
r4062 r4063 3037 3037 SPGlist = G2spc.spglist 3038 3038 bravaisSymb = ['Fm3m','Im3m','Pm3m','R3-H','P6/mmm','I4/mmm','P4/mmm', 3039 'Fmmm','Immm','Ammm','Bmmm','Cmmm','Pmmm','I2/m','C2/m','P2/m',' C1','P1']3039 'Fmmm','Immm','Ammm','Bmmm','Cmmm','Pmmm','I2/m','C2/m','P2/m','P1','C1'] 3040 3040 spaceGroups = ['F m 3 m','I m 3 m','P m 3 m','R 3 m','P 6/m m m','I 4/m m m', 3041 'P 4/m m m','F m m m','I m m m','A m m m','B m m m','C m m m','P m m m','I 2/m','C 2/m','P 2/m',' C -1','P-1']3041 'P 4/m m m','F m m m','I m m m','A m m m','B m m m','C m m m','P m m m','I 2/m','C 2/m','P 2/m','P -1','C -1'] 3042 3042 Inst = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Instrument Parameters'))[0] 3043 3043 Limits = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Limits'))[1] 3044 3044 if 'C' in Inst['Type'][0] or 'PKS' in Inst['Type'][0]: 3045 3045 wave = G2mth.getWave(Inst) 3046 # dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[1]))3047 3046 dmin = G2lat.Pos2dsp(Inst,Limits[1]) 3048 3047 else: 3049 3048 difC = Inst['difC'][1] 3050 # dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[0]))3051 3049 dmin = G2lat.Pos2dsp(Inst,Limits[0]) 3052 3050 … … 3065 3063 elif controls[5] in ['C2/m','P2/m','I2/m']: 3066 3064 controls[9] = controls[11] = 90. # b unique 3067 # if len(controls) < 13: controls.append(0)3068 3065 controls[12] = G2lat.calc_V(G2lat.cell2A(controls[6:12])) 3069 3066 return ibrav … … 3086 3083 if controls[5] in ['Fm3m','Im3m','Pm3m']: 3087 3084 SSopt.SetValue(False) 3088 G2frame.ErrorDialog('Cubic lattice', 3089 'Incommensurate superlattice not possible with a cubic lattice') 3085 G2frame.ErrorDialog('Cubic lattice','Incommensurate superlattice not possible with a cubic lattice') 3090 3086 return 3091 3087 ssopt['Use'] = SSopt.GetValue() … … 3231 3227 inc = float(shiftChoices[shiftSel.GetSelection()][:-1]) 3232 3228 move = Obj.GetValue() # +1 or -1 3233 # if ObjId//2 >= 3: # angle movements could be bigger3234 # move *= 23235 3229 Obj.SetValue(0) 3236 3230 value = float(valObj.GetValue()) * (1. + move*inc/100.) … … 3627 3621 3628 3622 KeyList = [] 3623 3629 3624 def ClearCurrentShowNext(): 3630 3625 KeepShowNext(False) 3626 3631 3627 KeyList += [['j',ClearCurrentShowNext,'Show next Mag. Spc. Group, clear keep flag on current']] 3628 3632 3629 def KeepCurrentShowNext(): 3633 3630 KeepShowNext(True) 3634 KeyList += [['k',KeepCurrentShowNext,'Show next Mag. Spc. Group, keep current']] 3631 3632 KeyList += [['k',KeepCurrentShowNext,'Show next Mag. Spc. Group, keep current']] 3633 3635 3634 def KeepShowNext(KeepCurrent=True): 3636 3635 '''Show next "keep" item in Magnetic Space Group list, possibly resetting the … … 3934 3933 wx.EndBusyCursor() 3935 3934 if not page: return 3936 while cells: cells.pop() # cells.clear() is much cleaner but not Py23935 # while cells: cells.pop() # cells.clear() is much cleaner but not Py2 3937 3936 for i,(cell,mat) in enumerate(kSUB.parseBilbaoCheckLattice(page)): 3938 3937 cells.append([]) … … 4176 4175 if len(controls) < 15: 4177 4176 controls.append(list(range(1,len(magcells)+1))) 4178 if len(bravais) < 16: 4179 bravais += [0,0,] 4180 if len(bravais) < 17: 4177 while len(bravais) < 17: 4181 4178 bravais += [0,] 4182 4179 SGData = ssopt.get('SGData',G2spc.SpcGroup(controls[13])[1]) … … 4185 4182 'Tetragonal-I','Tetragonal-P','Orthorhombic-F','Orthorhombic-I','Orthorhombic-A', 4186 4183 'Orthorhombic-B','Orthorhombic-C','Orthorhombic-P', 4187 'Monoclinic-I','Monoclinic-C','Monoclinic-P','Triclinic','Triclinic' ]4184 'Monoclinic-I','Monoclinic-C','Monoclinic-P','Triclinic','Triclinic',] 4188 4185 cellGUIlist = [[[0,1,2],4,zip([" Unit cell: a = "," Vol = "],[(10,5),"%.3f"],[True,False],[0,0])], 4189 4186 [[3,4,5,6],6,zip([" Unit cell: a = "," c = "," Vol = "],[(10,5),(10,5),"%.3f"],[True,True,False],[0,2,0])], … … 4260 4257 mainSizer.Add((5,5),0) 4261 4258 littleSizer = wx.BoxSizer(wx.HORIZONTAL) 4262 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Bravais\nlattice",style=wx.ALIGN_CENTER),0,WACV,5)4259 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Bravais \n lattice ",style=wx.ALIGN_CENTER),0,WACV,5) 4263 4260 bravSel = wx.Choice(G2frame.dataWindow,choices=bravaisSymb,size=(75,-1)) 4264 4261 bravSel.SetSelection(bravaisSymb.index(controls[5])) 4265 4262 bravSel.Bind(wx.EVT_CHOICE,OnBravSel) 4266 4263 littleSizer.Add(bravSel,0,WACV) 4267 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Space\ngroup",style=wx.ALIGN_CENTER),0,WACV,5)4264 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Space \n group ",style=wx.ALIGN_CENTER),0,WACV,5) 4268 4265 spcSel = wx.Choice(G2frame.dataWindow,choices=SPGlist[controls[5]],size=(75,-1)) 4269 4266 spcSel.SetSelection(SPGlist[controls[5]].index(controls[13])) … … 4273 4270 controls[0] = False 4274 4271 else: 4275 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Zero offset "),0,WACV)4272 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Zero offset "),0,WACV) 4276 4273 zero = G2G.ValidatedTxtCtrl(G2frame.dataWindow,controls,1,nDig=(10,4),typeHint=float, 4277 4274 min=-5.,max=5.,size=(50,-1))
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