Changeset 3744
- Timestamp:
- Nov 27, 2018 4:14:02 PM (5 years ago)
- Location:
- trunk
- Files:
-
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIphsGUI.py
r3738 r3744 765 765 rotationBox = wx.BoxSizer(wx.HORIZONTAL) 766 766 rotationBox.Add(wx.StaticText(self.panel,label=' Rotation angle: '),0,WACV) 767 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 767 768 rotangle = wx.TextCtrl(self.panel,value='%5.3f'%(self.rotAngle), 768 769 size=(50,25),style=wx.TE_PROCESS_ENTER) … … 771 772 rotationBox.Add(rotangle,0,WACV) 772 773 rotationBox.Add(wx.StaticText(self.panel,label=' about vector: '),0,WACV) 774 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 773 775 rotvec = wx.TextCtrl(self.panel,value='%5.3f %5.3f %5.3f'%(self.rotVec[0],self.rotVec[1],self.rotVec[2]), 774 776 size=(100,25),style=wx.TE_PROCESS_ENTER) … … 896 898 parmRange = wx.BoxSizer(wx.HORIZONTAL) 897 899 numChoice = [str(i+1) for i in range(10)] 900 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 898 901 parmrange = wx.TextCtrl(self.panel,value='%.3f %.3f'%(self.parmRange[0],self.parmRange[1]), 899 902 style=wx.TE_PROCESS_ENTER) … … 1326 1329 # if 'SS1' not in atom: 1327 1330 # atom += [[],[],{'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}] 1328 if 'waveType' in atom[-1]['SS1']:1331 if isinstance(atom[-1],dict) and 'waveType' in atom[-1]['SS1']: 1329 1332 waveType = atom[-1]['SS1']['waveType'] 1330 1333 for parm in ['Sfrac','Spos','Sadp','Smag']: … … 1646 1649 nameSizer = wx.BoxSizer(wx.HORIZONTAL) 1647 1650 nameSizer.Add(wx.StaticText(General,-1,' Phase name: '),0,WACV) 1651 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 1648 1652 NameTxt = wx.TextCtrl(General,-1,value=generalData['Name'],style=wx.TE_PROCESS_ENTER) 1649 1653 NameTxt.Bind(wx.EVT_TEXT_ENTER,OnPhaseName) … … 2020 2024 if not SGData['SGFixed']: 2021 2025 Choice = G2spc.SSChoice(SGData) 2022 if SGData['SGGray']:2023 Choice = [G2spc.fixGray(SGData,item) for item in Choice]2024 2026 if len(Choice) == 0: return 2025 2027 #parent = event.GetEventObject().GetTopLevelParent() … … 2032 2034 2033 2035 sizer.Add((10,10)) 2036 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 2034 2037 superGp = wx.ComboBox(dlg,value=generalData['SuperSg'],choices=Choice,style=wx.CB_DROPDOWN|wx.TE_PROCESS_ENTER) 2035 2038 superGp.Bind(wx.EVT_TEXT_ENTER,OnSuperEnter) … … 2092 2095 if not SGData['SGFixed']: 2093 2096 Choice = G2spc.SSChoice(SGData) 2094 if SGData['SGGray']:2095 Choice = [G2spc.fixGray(SGData,item) for item in Choice]2096 2097 if len(Choice): 2097 2098 val = generalData['SuperSg'] … … 2291 2292 HKL = Flip['testHKL'] 2292 2293 for ih,hkl in enumerate(Flip['testHKL']): 2294 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 2293 2295 hkl = wx.TextCtrl(General,value='%3d %3d %3d'%(HKL[ih][0],HKL[ih][1],HKL[ih][2]), 2294 2296 style=wx.TE_PROCESS_ENTER,name='hkl%d'%(ih)) … … 4199 4201 for txt,fmt,ifEdit,Id in useGUI[2]: 4200 4202 cellSizer.Add(wx.StaticText(layerData,label=txt),0,WACV) 4203 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 4201 4204 cellVal = wx.TextCtrl(layerData,value=(fmt%(cell[Id+1])), 4202 4205 style=wx.TE_PROCESS_ENTER) … … 4335 4338 nameSizer = wx.BoxSizer(wx.HORIZONTAL) 4336 4339 nameSizer.Add(wx.StaticText(layerData,label=' Layer name: '),0,WACV) 4340 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 4337 4341 layerName = wx.TextCtrl(layerData,value=Layer['Name'],style=wx.TE_PROCESS_ENTER) 4338 4342 layerName.Bind(wx.EVT_TEXT_ENTER,OnNameChange) … … 4497 4501 lineSizer = wx.BoxSizer(wx.HORIZONTAL) 4498 4502 lineSizer.Add(wx.StaticText(layerData,label=' Enter sequence of layers to plot:'),0,WACV) 4503 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 4499 4504 plotSeq = wx.TextCtrl(layerData,value = '',style=wx.TE_PROCESS_ENTER) 4500 4505 plotSeq.Bind(wx.EVT_TEXT_ENTER,OnPlotSeq) … … 4602 4607 if Layers['Stacking'][0] == 'recursive': 4603 4608 topLine.Add(wx.StaticText(layerData,label=' number of layers (<1022 or "infinite"): '),0,WACV) 4609 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 4604 4610 numLayers = wx.TextCtrl(layerData,value=data['Layers']['Stacking'][1],style=wx.TE_PROCESS_ENTER) 4605 4611 numLayers.Bind(wx.EVT_TEXT_ENTER,OnNumLayers) … … 4629 4635 else: #random 4630 4636 topLine.Add(wx.StaticText(layerData,label=' Length of random sequence: '),0,WACV) 4637 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 4631 4638 numRan = wx.TextCtrl(layerData,value=Layers['Stacking'][2],style=wx.TE_PROCESS_ENTER) 4632 4639 numRan.Bind(wx.EVT_TEXT_ENTER,OnNumRan) … … 5100 5107 for ival,val in enumerate(wave[0]): 5101 5108 if np.any(CSI[0][ival]): 5109 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 5102 5110 waveVal = wx.TextCtrl(waveData,value='%.5f'%(val),style=wx.TE_PROCESS_ENTER) 5103 5111 waveVal.Bind(wx.EVT_TEXT_ENTER,OnWaveVal) … … 6287 6295 lineSizer.Add(wx.StaticText(drawOptions,-1,' View Dir.:'),0,WACV) 6288 6296 VD = drawingData['viewDir'] 6297 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 6289 6298 viewDir = wx.TextCtrl(drawOptions,value='%.3f %.3f %.3f'%(VD[0],VD[1],VD[2]), 6290 6299 style=wx.TE_PROCESS_ENTER,size=wx.Size(140,20),name='viewDir') … … 6303 6312 lineSizer.Add(wx.StaticText(drawOptions,-1,' View Point:'),0,WACV) 6304 6313 VP = drawingData['viewPoint'][0] 6314 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 6305 6315 viewPoint = wx.TextCtrl(drawOptions,value='%.3f %.3f %.3f'%(VP[0],VP[1],VP[2]), 6306 6316 style=wx.TE_PROCESS_ENTER,size=wx.Size(140,20),name='viewPoint') … … 6385 6395 planeSizer1.Add(wx.StaticText(drawOptions,label=' Plane: '),0,WACV) 6386 6396 H = drawingData['Plane'][0] 6397 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 6387 6398 plane = wx.TextCtrl(drawOptions,value='%3d %3d %3d'%(H[0],H[1],H[2]), 6388 6399 style=wx.TE_PROCESS_ENTER) … … 6767 6778 PTSizer.Add(wx.StaticText(Texture,-1,' Pole figure HKL: '),0,WACV) 6768 6779 PH = textureData['PFhkl'] 6780 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 6769 6781 pfVal = wx.TextCtrl(Texture,-1,'%d %d %d'%(PH[0],PH[1],PH[2]),style=wx.TE_PROCESS_ENTER) 6770 6782 else: 6771 6783 PTSizer.Add(wx.StaticText(Texture,-1,' Inverse pole figure XYZ: '),0,WACV) 6772 6784 PX = textureData['PFxyz'] 6785 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 6773 6786 pfVal = wx.TextCtrl(Texture,-1,'%3.1f %3.1f %3.1f'%(PX[0],PX[1],PX[2]),style=wx.TE_PROCESS_ENTER) 6774 6787 pfVal.Bind(wx.EVT_TEXT_ENTER,OnPFValue) … … 7283 7296 topSizer.Add(wx.StaticText(RigidBodies,-1,'Rotation angle, vector:'),0,WACV) 7284 7297 for ix,x in enumerate(Orien): 7298 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 7285 7299 orien = wx.TextCtrl(RigidBodies,-1,value='%8.4f'%(x),style=wx.TE_PROCESS_ENTER) 7286 7300 orien.Bind(wx.EVT_TEXT_ENTER,OnOrien) … … 8055 8069 atomsizer.Add(wx.StaticText(G2frame.MCSA,-1,' Range: '),0,WACV) 8056 8070 rmin,rmax = model['Pos'][2][ix] 8071 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8057 8072 posRange = wx.TextCtrl(G2frame.MCSA,-1,'%.3f %.3f'%(rmin,rmax),style=wx.TE_PROCESS_ENTER) 8058 8073 Indx[posRange.GetId()] = [model,'Pos',ix] … … 8128 8143 rbsizer1.Add(wx.StaticText(G2frame.MCSA,-1,' Range: '),0,WACV) 8129 8144 rmin,rmax = model['Pos'][2][ix] 8145 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8130 8146 posRange = wx.TextCtrl(G2frame.MCSA,-1,'%.3f %.3f'%(rmin,rmax),style=wx.TE_PROCESS_ENTER) 8131 8147 Indx[posRange.GetId()] = [model,'Pos',ix] … … 8137 8153 Ori = model['Ori'][0] 8138 8154 rbsizer2.Add(wx.StaticText(G2frame.MCSA,-1,'Oa: '),0,WACV) 8155 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8139 8156 angVal = wx.TextCtrl(G2frame.MCSA,-1,'%.5f'%(Ori[0]),style=wx.TE_PROCESS_ENTER) 8140 8157 angVal.Bind(wx.EVT_TEXT_ENTER,OnOriVal) … … 8142 8159 rbsizer2.Add(angVal,0,WACV) 8143 8160 rbsizer2.Add(wx.StaticText(G2frame.MCSA,-1,'Oi,Oj,Ok: '),0,WACV) 8161 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8144 8162 vecVal = wx.TextCtrl(G2frame.MCSA,-1,'%.3f %.3f %.3f'%(Ori[1],Ori[2],Ori[3]),style=wx.TE_PROCESS_ENTER) 8145 8163 vecVal.Bind(wx.EVT_TEXT_ENTER,OnOriVal) … … 8157 8175 rbsizer2.Add(wx.StaticText(G2frame.MCSA,-1,' Range: Oa: '),0,WACV) 8158 8176 Rge = model['Ori'][2] 8177 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8159 8178 angRange = wx.TextCtrl(G2frame.MCSA,-1,'%.3f %.3f'%(Rge[0][0],Rge[0][1]),style=wx.TE_PROCESS_ENTER) 8160 8179 Indx[angRange.GetId()] = [model,'Ori',0] … … 8165 8184 for io,item in enumerate(['Oi','Oj','Ok']): 8166 8185 rmin,rmax = Rge[io+1] 8186 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8167 8187 vecRange = wx.TextCtrl(G2frame.MCSA,-1,'%.3f %.3f '%(rmin,rmax),style=wx.TE_PROCESS_ENTER) 8168 8188 Indx[vecRange.GetId()] = [model,'Ori',io+1] … … 8189 8209 rbsizer3.Add(wx.StaticText(G2frame.MCSA,-1,' Range: '),0,WACV) 8190 8210 rmin,rmax = model['Tor'][2][it] 8211 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8191 8212 torRange = wx.TextCtrl(G2frame.MCSA,-1,'%.3f %.3f'%(rmin,rmax),style=wx.TE_PROCESS_ENTER) 8192 8213 Indx[torRange.GetId()] = [model,'Tor',it] … … 8241 8262 poSizer.Add(wx.StaticText(G2frame.MCSA,-1,' Range: '),0,WACV) 8242 8263 rmin,rmax = POData['Coef'][2] 8264 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8243 8265 poRange = wx.TextCtrl(G2frame.MCSA,-1,'%.3f %.3f'%(rmin,rmax),style=wx.TE_PROCESS_ENTER) 8244 8266 poRange.Bind(wx.EVT_TEXT_ENTER,OnPORange) … … 8247 8269 poSizer.Add(wx.StaticText(G2frame.MCSA,-1,' Unique axis, H K L: '),0,WACV) 8248 8270 h,k,l = POData['axis'] 8271 # Zstep = G2G.ValidatedTxtCtrl(drawOptions,drawingData,'Zstep',nDig=(10,2),min=0.01,max=4.0) 8249 8272 poAxis = wx.TextCtrl(G2frame.MCSA,-1,'%3d %3d %3d'%(h,k,l),style=wx.TE_PROCESS_ENTER) 8250 8273 poAxis.Bind(wx.EVT_TEXT_ENTER,OnPOAxis) -
trunk/GSASIIspc.py
r3738 r3744 1004 1004 SGData['MagPtGp'] = ''.join(magPtGp) 1005 1005 elif SGLaue in ['3','3m1','31m']: #ok 1006 Ptsym = list(SG Laue)1006 Ptsym = list(SGPtGrp) 1007 1007 if len(GenSym) == 1: #all ok 1008 1008 id = 2 … … 1663 1663 if SGData['SGGray']: 1664 1664 SSgSpc = SSgSpc.replace('('," 1'(") 1665 SSgSpc += 's'1665 # SSgSpc += 's' 1666 1666 SSGData = {'SSpGrp':SSgSpc,'modQ':modQ,'modSymb':modsym,'SSGKl':SSGKl} 1667 1667 SSCen = np.zeros((len(SGData['SGCen']),4)) … … 1723 1723 '4/mmm':['(00g)','(1/21/2g)'], 1724 1724 1725 '3':['(00g)','(1/31/3g)'], 1726 '32':['(00g)'],'3m':['(00g)'], 1727 '321':['(00g)'],'3m1':['(00g)'], 1728 '312':['(00g)','(1/31/3g)'],'31m':['(00g)','(1/31/3g)'], 1725 '3':['(00g)','(1/31/3g)'],'-3':['(00g)','(1/31/3g)'], 1726 '32':['(00g)'],'3m':['(00g)'],'-3m':['(00g)'], 1727 '321':['(00g)'],'3m1':['(00g)'],'-3m1':['(00g)'], 1728 '312':['(00g)','(1/31/3g)'],'31m':['(00g)','(1/31/3g)'],'-31m':['(00g)','(1/31/3g)'], 1729 1729 1730 1730 '6':['(00g)',],'6/m':['(00g)',],'-62m':['(00g)',],'-6m2':['(00g)',], … … 1749 1749 '4/mmm':['0000','s0s0','00ss','s00s','ss00','0ss0','0s0s'], 1750 1750 1751 '3':['0','t'], 1752 '32':['00','t0'],'3m':['00','0s'], 1753 '321':['000','t00'],'3m1':['000','0s0'], 1754 '312':['000','t00'],'31m':['000','00s'], 1751 '3':['0','t'],'-3':['0','t'], 1752 '32':['00','t0'],'3m':['00','0s'],'-3m':['00','0s'], 1753 '321':['000','t00'],'3m1':['000','0s0'],'-3m1':['000','0s0'], 1754 '312':['000','t00'],'31m':['000','00s'],'-31m':['000','00s'], 1755 1755 1756 1756 '6':['0','h','t','s'], … … 1765 1765 for ax in ptgpSS[ptgp]: 1766 1766 for sx in ptgpTS[ptgp]: 1767 SSChoice.append(ax+sx) 1767 SSChoice.append(ax+sx) 1768 if SGData['SGGray']: SSChoice[-1] += 's' 1768 1769 ssChoice = [] 1769 1770 ssHash = [] … … 1776 1777 ssChoice.append(item) 1777 1778 return ssChoice 1778 1779 def fixSSymb(ssSymb,SGData): 1780 sgPtGp = SGData['SGPtGrp'] 1781 ssSymb += ' ' 1782 if ssSymb.rfind('0000 ') > 0: 1783 ssSymb = ssSymb.replace('0000 ','') 1784 elif ssSymb.rfind('000 ') > 0 and not sgPtGp in ['4/mmm','6/mmm']: 1785 ssSymb = ssSymb.replace('000 ','') 1786 elif ssSymb.rfind('00 ') > 0: 1787 ssSymb = ssSymb.replace('00 ','') 1788 elif ssSymb.rfind('0 ') > 0: 1789 ssSymb = ssSymb.replace('0 ','') 1790 return ssSymb 1791 1792 def fixGray(SGData,SSymbol): 1793 modsym,gensym = SSymbol.replace(' ','').split(')') 1794 modsym += ')' 1795 sgPtGp = SGData['SGPtGrp'] 1796 if gensym: 1797 if sgPtGp in ['1','2','m','3','4','6'] and len(gensym) == 1: 1798 gensym += 's' 1799 elif sgPtGp in ['2/m','4/m','6/m'] and len(gensym) == 2: 1800 gensym += 's' 1801 elif sgPtGp in ['4/mmm','6/mmm'] and len(gensym) == 4: 1802 gensym += 's' 1803 elif len(gensym) == 3: 1804 gensym += 's' 1805 else: 1806 if sgPtGp in ['1','2','m','3','4','6']: 1807 gensym += '0s' 1808 elif sgPtGp in ['2/m','4/m','6/m']: 1809 gensym += '00s' 1810 elif sgPtGp in ['4/mmm','6/mmm']: 1811 gensym += '0000s' 1812 else: 1813 gensym += '000s' 1814 return modsym+gensym 1815 1779 1816 1780 def splitSSsym(SSymbol): 1817 1781 ''' -
trunk/atmdata.py
r3738 r3744 804 804 'Ce':{'M':[ .2953, 17.685, .2923, 6.733, .4313, 5.383, .0000, .000, -.0194], 805 805 'N':[ .9809, 18.063, 1.8413, 7.769, .9905, 2.845, .0000, .000, .0120, 2.00]}, #really Ce+2 806 'Ce+2':{'M':[ 806 'Ce+2':{'M':[ .2953, 17.685, .2923, 6.733, .4313, 5.383, .0000, .000, -.0194], 807 807 'N':[ .9809, 18.063, 1.8413, 7.769, .9905, 2.845, .0000, .000, .0120, 2.00]}, 808 'Pr':{'M':[ .050, 24.999, 0.257, 12.038, .714, 5.004, -0.022, .084, .0000], #really Pr+3 - from J2K 809 'N':[ .873, 18.988, 1.559, 6.087, .814, 2.415, .011, .044, .0000, 2.00]}, 810 'Pr+3':{'M':[ .050, 24.999, 0.257, 12.038, .714, 5.004, -0.022, .084, .0000], 811 'N':[ .873, 18.988, 1.559, 6.087, .814, 2.415, .011, .044, .0000, 2.00]}, 808 812 'Nd':{'M':[ .1645, 25.045, .2522, 11.978, .6012, 4.946, .0000, .000, -.0180], 809 813 'N':[ 1.4530, 18.340, 1.6196, 7.285, .8752, 2.622, .0000, .000, .0126, 2.00]}, #really Nd+2 -
trunk/testSSymbols.py
r3423 r3744 88 88 if Data['SGData']['SGGray']: SpGrp += " 1'" 89 89 print('Try: %s%s'%(Data['SGData']['SpGrp'],SSymbol)) 90 if Data['SGData']['SGGray']: SSymbol = SSymbol[:-1]91 90 E,SSGData = G2spc.SSpcGroup(Data['SGData'],SSymbol) 92 91 if SSGData: … … 124 123 mainSizer.Add(wx.StaticText(self.testSSPanel,label=' Superspace group: '+SpGrp),0,WACV) 125 124 ssChoice = G2spc.SSChoice(Data['SGData']) 126 if Data['SGData']['SGGray']: ssChoice = [G2spc.fixGray(Data['SGData'],item) for item in ssChoice]127 125 ssSym = Data['SuperSg'] 128 if Data['SGData']['SGGray']: ssSym = G2spc.fixGray(SGData,ssSym)129 126 if ssChoice: 130 127 superGp = wx.ComboBox(self.testSSPanel,value=ssSym,choices=ssChoice,style=wx.CB_DROPDOWN) #wx.CB_READONLY|
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