- Timestamp:
- Oct 14, 2020 2:56:09 PM (3 years ago)
- Location:
- trunk
- Files:
-
- 12 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIconstrGUI.py
r4584 r4594 280 280 topLabl = wx.StaticText(panel,-1,text) 281 281 mainSizer.Add((10,10),1) 282 mainSizer.Add(topLabl,0,wx. ALIGN_CENTER_VERTICAL|wx.LEFT,10)282 mainSizer.Add(topLabl,0,wx.LEFT,10) 283 283 mainSizer.Add((10,10),1) 284 284 dataGridSizer = wx.FlexGridSizer(cols=3,hgap=2,vgap=2) … … 289 289 name = wx.StaticText(panel,wx.ID_ANY,lbl1,style=wx.ALIGN_RIGHT) 290 290 scale = G2G.ValidatedTxtCtrl(panel,self.data[id],0,OKcontrol=self.DisableOK) 291 dataGridSizer.Add(name,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL,5)291 dataGridSizer.Add(name,0,wx.LEFT|wx.RIGHT|WACV,5) 292 292 dataGridSizer.Add(scale,0,wx.RIGHT,3) 293 293 if ':' in lbl: 294 294 dataGridSizer.Add( 295 295 wx.StaticText(panel,-1,G2obj.fmtVarDescr(lbl)), 296 0,wx.RIGHT| wx.ALIGN_CENTER_VERTICAL,3)296 0,wx.RIGHT|WACV,3) 297 297 else: 298 298 dataGridSizer.Add((-1,-1)) … … 301 301 style=wx.ALIGN_CENTER) 302 302 scale = G2G.ValidatedTxtCtrl(panel,self.newvar,0,notBlank=False) 303 dataGridSizer.Add(name,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL,5)304 dataGridSizer.Add(scale,0,wx.RIGHT| wx.ALIGN_CENTER_VERTICAL,3)303 dataGridSizer.Add(name,0,wx.LEFT|wx.RIGHT|WACV,5) 304 dataGridSizer.Add(scale,0,wx.RIGHT|WACV,3) 305 305 self.refine = wx.CheckBox(panel,label='Refine?') 306 306 self.refine.SetValue(self.newvar[1]==True) 307 307 self.refine.Bind(wx.EVT_CHECKBOX, self.OnCheckBox) 308 dataGridSizer.Add(self.refine,0,wx.RIGHT| wx.ALIGN_CENTER_VERTICAL,3)308 dataGridSizer.Add(self.refine,0,wx.RIGHT|WACV,3) 309 309 310 310 mainSizer.Add(dataGridSizer,0,wx.EXPAND) … … 320 320 btnSizer.Add((20,20),1) 321 321 322 mainSizer.Add(btnSizer,0,wx.EXPAND |wx.BOTTOM|wx.TOP, 10)322 mainSizer.Add(btnSizer,0,wx.EXPAND, 10) 323 323 panel.SetSizer(mainSizer) 324 324 panel.Fit() … … 992 992 Sizer1 = wx.BoxSizer(wx.VERTICAL) 993 993 Sizer1.Add(wx.StaticText(pageDisplay,wx.ID_ANY, 994 994 'Equivalences generated based on cell/space group input')) 995 995 Sizer1.Add((-1,5)) 996 996 Sizer = wx.FlexGridSizer(0,2,0,0) … … 998 998 for sym in G2mv.GetSymEquiv(): 999 999 Sizer.Add(wx.StaticText(pageDisplay,wx.ID_ANY,'EQUIV'), 1000 0,wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER|wx.RIGHT|wx.LEFT,3)1000 0,WACV|wx.ALIGN_CENTER|wx.RIGHT|wx.LEFT,3) 1001 1001 Sizer.Add(wx.StaticText(pageDisplay,wx.ID_ANY,sym)) 1002 1002 Sizer.Add((-1,-1)) … … 1023 1023 constEdit = wx.Button(pageDisplay,wx.ID_ANY,'Edit',style=wx.BU_EXACTFIT) 1024 1024 constEdit.Bind(wx.EVT_BUTTON,OnConstEdit) 1025 constSizer.Add(constEdit,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER,1) # edit button1025 constSizer.Add(constEdit,0,wx.LEFT|wx.RIGHT|WACV|wx.ALIGN_CENTER,1) # edit button 1026 1026 Indx[constEdit.GetId()] = [Id,name] 1027 1027 if item[-1] == 'f': … … 1125 1125 constDel.Bind(wx.EVT_BUTTON,OnConstDel) 1126 1126 Indx[constDel.GetId()] = [Id,name] 1127 constSizer.Add(constDel,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER,1) # delete button1127 constSizer.Add(constDel,0,wx.LEFT|wx.RIGHT|WACV|wx.ALIGN_CENTER,1) # delete button 1128 1128 if helptext: 1129 1129 ch = G2G.HelpButton(pageDisplay,helptext) 1130 constSizer.Add(ch,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER,1)1130 constSizer.Add(ch,0,wx.LEFT|wx.RIGHT|WACV|wx.ALIGN_CENTER,1) 1131 1131 else: 1132 1132 constSizer.Add((-1,-1)) 1133 1133 if refineflag: 1134 1134 ch = G2G.G2CheckBox(pageDisplay,'',item,-2) 1135 constSizer.Add(ch,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER,1)1135 constSizer.Add(ch,0,wx.LEFT|wx.RIGHT|WACV|wx.ALIGN_CENTER,1) 1136 1136 else: 1137 1137 constSizer.Add((-1,-1)) 1138 1138 constSizer.Add(wx.StaticText(pageDisplay,wx.ID_ANY,typeString), 1139 0, wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER|wx.RIGHT|wx.LEFT,3)1139 0,WACV|wx.ALIGN_CENTER|wx.RIGHT|wx.LEFT,3) 1140 1140 if problemItem: eqString[-1] += ' -- Conflict: see console' 1141 1141 if len(eqString) > 1: … … 1144 1144 line = wx.StaticText(pageDisplay,wx.ID_ANY,s) 1145 1145 if problemItem: line.SetBackgroundColour(wx.YELLOW) 1146 Eq.Add(line,0 ,wx.ALIGN_CENTER_VERTICAL)1146 Eq.Add(line,0) 1147 1147 Eq.Add((-1,4)) 1148 1148 else: 1149 1149 Eq = wx.StaticText(pageDisplay,wx.ID_ANY,eqString[0]) 1150 1150 if problemItem: Eq.SetBackgroundColour(wx.YELLOW) 1151 constSizer.Add(Eq,1, wx.ALIGN_CENTER_VERTICAL)1151 constSizer.Add(Eq,1,WACV) 1152 1152 return constSizer 1153 1153 … … 2402 2402 name = G2obj.MakeUniqueLabel(name,namelist) 2403 2403 rbData = MakeVectorBody() 2404 DrawCallback = G2plt.PlotRigidBody(G2frame,'Vector', 2405 AtInfo,rbData,plotDefaults) 2404 DrawCallback = G2plt.PlotRigidBody(G2frame,'Vector',AtInfo,rbData,plotDefaults) 2406 2405 2407 2406 mainSizer = wx.BoxSizer(wx.HORIZONTAL) 2408 2407 btnSizer = wx.BoxSizer(wx.VERTICAL) 2409 btnSizer.Add( 2410 wx.StaticText(RBImpPnl,wx.ID_ANY,'Reorder atoms by dragging'), 2411 0,wx.ALL) 2408 btnSizer.Add(wx.StaticText(RBImpPnl,wx.ID_ANY,'Reorder atoms by dragging'),0,wx.ALL) 2412 2409 btnSizer.Add((-1,15)) 2413 2410 btn = wx.Button(RBImpPnl, wx.ID_ANY, 'Set All') … … 2418 2415 btnSizer.Add(btn,0,wx.ALIGN_CENTER) 2419 2416 btnSizer.Add((-1,15)) 2420 btnSizer.Add( 2421 wx.StaticText(RBImpPnl,wx.ID_ANY,'Reorient using selected\natoms...'), 2422 0,wx.ALL) 2417 btnSizer.Add(wx.StaticText(RBImpPnl,wx.ID_ANY,'Reorient using selected\natoms...'),0,wx.ALL) 2423 2418 btnSizer.Add((-1,5)) 2424 2419 btn = wx.Button(RBImpPnl, wx.ID_ANY, 'Set origin') … … 2431 2426 btn.Bind(wx.EVT_BUTTON,onSetPlane) 2432 2427 inSizer.Add(btn) 2433 inSizer.Add(G2G.G2ChoiceButton(RBImpPnl,('xy','yz','xz'), 2434 None,None,bntOpts,'plane')) 2428 inSizer.Add(G2G.G2ChoiceButton(RBImpPnl,('xy','yz','xz'),None,None,bntOpts,'plane')) 2435 2429 btnSizer.Add(inSizer,0,wx.ALIGN_CENTER) 2436 2430 … … 2439 2433 btn.Bind(wx.EVT_BUTTON,onSetX) 2440 2434 inSizer.Add(btn) 2441 inSizer.Add(G2G.G2ChoiceButton(RBImpPnl,('x','y','z'), 2442 None,None,bntOpts,'direction')) 2435 inSizer.Add(G2G.G2ChoiceButton(RBImpPnl,('x','y','z'),None,None,bntOpts,'direction')) 2443 2436 btnSizer.Add(inSizer,0,wx.ALIGN_CENTER) 2444 2437 2445 2438 btnSizer.Add((-1,15)) 2446 btnSizer.Add( 2447 wx.StaticText(RBImpPnl,wx.ID_ANY,'Use selected atoms to\ncreate...'), 2448 0,wx.ALL) 2439 btnSizer.Add(wx.StaticText(RBImpPnl,wx.ID_ANY,'Use selected atoms to\ncreate...'),0,wx.ALL) 2449 2440 btnSizer.Add((-1,5)) 2450 2441 btn = wx.Button(RBImpPnl, wx.ID_ANY, 'export as xyz') … … 2979 2970 2980 2971 nameSizer = wx.BoxSizer(wx.HORIZONTAL) 2981 nameSizer.Add(wx.StaticText(VectorRBDisplay,-1,'Rigid body name: '), 2982 0,wx.ALIGN_CENTER_VERTICAL) 2972 nameSizer.Add(wx.StaticText(VectorRBDisplay,-1,'Rigid body name: '),0,WACV) 2983 2973 RBname = wx.TextCtrl(VectorRBDisplay,-1,rbData['RBname']) 2984 2974 Indx[RBname.GetId()] = rbid … … 2986 2976 RBname.Bind(wx.EVT_TEXT_ENTER,OnRBName) 2987 2977 RBname.Bind(wx.EVT_KILL_FOCUS,OnRBName) 2988 nameSizer.Add(RBname,0, wx.ALIGN_CENTER_VERTICAL)2978 nameSizer.Add(RBname,0,WACV) 2989 2979 nameSizer.Add((5,0),) 2990 plotRB = wx.Button(VectorRBDisplay,wx.ID_ANY,'Plot', 2991 style=wx.BU_EXACTFIT) 2980 plotRB = wx.Button(VectorRBDisplay,wx.ID_ANY,'Plot',style=wx.BU_EXACTFIT) 2992 2981 plotRB.Bind(wx.EVT_BUTTON, OnPlotRB) 2993 2982 Indx[plotRB.GetId()] = rbid 2994 nameSizer.Add(plotRB,0, wx.ALIGN_CENTER_VERTICAL)2983 nameSizer.Add(plotRB,0,WACV) 2995 2984 nameSizer.Add((5,0),) 2996 2985 if not rbData['useCount']: 2997 delRB = wx.Button(VectorRBDisplay,wx.ID_ANY,"Delete", 2998 style=wx.BU_EXACTFIT) 2986 delRB = wx.Button(VectorRBDisplay,wx.ID_ANY,"Delete",style=wx.BU_EXACTFIT) 2999 2987 delRB.Bind(wx.EVT_BUTTON, OnDelRB) 3000 2988 Indx[delRB.GetId()] = rbid 3001 nameSizer.Add(delRB,0, wx.ALIGN_CENTER_VERTICAL)2989 nameSizer.Add(delRB,0,WACV) 3002 2990 return nameSizer 3003 2991 … … 3021 3009 else: 3022 3010 refAtmSizer.Add(wx.StaticText(VectorRBDisplay,-1, 3023 'Orientation reference atoms A-B-C: '),0, wx.ALIGN_CENTER_VERTICAL)3011 'Orientation reference atoms A-B-C: '),0,WACV) 3024 3012 for i in range(3): 3025 3013 choices = [atNames[j] for j in refChoice[rbid][i]] … … 3029 3017 refSel.Bind(wx.EVT_COMBOBOX, OnRefSel) 3030 3018 Indx[refSel.GetId()] = i 3031 refAtmSizer.Add(refSel,0, wx.ALIGN_CENTER_VERTICAL)3019 refAtmSizer.Add(refSel,0,WACV) 3032 3020 return refAtmSizer 3033 3021 … … 3055 3043 3056 3044 magSizer = wx.BoxSizer(wx.HORIZONTAL) 3057 magSizer.Add(wx.StaticText(VectorRBDisplay,-1,'Translation magnitude: '), 3058 0,wx.ALIGN_CENTER_VERTICAL) 3045 magSizer.Add(wx.StaticText(VectorRBDisplay,-1,'Translation magnitude: '),0,WACV) 3059 3046 magValue = wx.TextCtrl(VectorRBDisplay,-1,'%8.4f'%(rbData['VectMag'][imag])) 3060 3047 Indx[magValue.GetId()] = [rbid,imag] 3061 3048 magValue.Bind(wx.EVT_TEXT_ENTER,OnRBVectorMag) 3062 3049 magValue.Bind(wx.EVT_KILL_FOCUS,OnRBVectorMag) 3063 magSizer.Add(magValue,0, wx.ALIGN_CENTER_VERTICAL)3050 magSizer.Add(magValue,0,WACV) 3064 3051 magSizer.Add((5,0),) 3065 3052 magref = wx.CheckBox(VectorRBDisplay,-1,label=' Refine?') … … 3067 3054 magref.Bind(wx.EVT_CHECKBOX,OnRBVectorRef) 3068 3055 Indx[magref.GetId()] = [rbid,imag] 3069 magSizer.Add(magref,0, wx.ALIGN_CENTER_VERTICAL)3056 magSizer.Add(magref,0,WACV) 3070 3057 return magSizer 3071 3058 … … 3228 3215 nameSizer = wx.BoxSizer(wx.HORIZONTAL) 3229 3216 nameSizer.Add(wx.StaticText(ResidueRBDisplay,-1,'Residue name: '), 3230 0, wx.ALIGN_CENTER_VERTICAL)3217 0,WACV) 3231 3218 RBname = wx.TextCtrl(ResidueRBDisplay,-1,rbData['RBname']) 3232 3219 RBname.Bind(wx.EVT_LEAVE_WINDOW, OnRBName) 3233 3220 RBname.Bind(wx.EVT_TEXT_ENTER,OnRBName) 3234 3221 RBname.Bind(wx.EVT_KILL_FOCUS,OnRBName) 3235 nameSizer.Add(RBname,0, wx.ALIGN_CENTER_VERTICAL)3222 nameSizer.Add(RBname,0,WACV) 3236 3223 nameSizer.Add((5,0),) 3237 3224 plotRB = wx.Button(ResidueRBDisplay,wx.ID_ANY,'Plot',style=wx.BU_EXACTFIT) 3238 3225 plotRB.Bind(wx.EVT_BUTTON, OnPlotRB) 3239 3226 Indx[plotRB.GetId()] = rbid 3240 nameSizer.Add(plotRB,0, wx.ALIGN_CENTER_VERTICAL)3227 nameSizer.Add(plotRB,0,WACV) 3241 3228 nameSizer.Add((5,0),) 3242 3229 if not rbData['useCount']: … … 3245 3232 delRB.Bind(wx.EVT_BUTTON, OnDelRB) 3246 3233 Indx[delRB.GetId()] = rbid 3247 nameSizer.Add(delRB,0, wx.ALIGN_CENTER_VERTICAL)3234 nameSizer.Add(delRB,0,WACV) 3248 3235 if 'H' in rbData['rbTypes']: 3249 3236 stripH = wx.Button(ResidueRBDisplay,wx.ID_ANY, … … 3252 3239 stripH.Bind(wx.EVT_BUTTON, OnStripH) 3253 3240 Indx[stripH.GetId()] = rbid 3254 nameSizer.Add(stripH,0, wx.ALIGN_CENTER_VERTICAL)3241 nameSizer.Add(stripH,0,WACV) 3255 3242 return nameSizer 3256 3243 … … 3352 3339 else: 3353 3340 refAtmSizer.Add(wx.StaticText(ResidueRBDisplay,-1, 3354 'Orientation reference non-H atoms A-B-C: '),0, wx.ALIGN_CENTER_VERTICAL)3341 'Orientation reference non-H atoms A-B-C: '),0,WACV) 3355 3342 refObj = [0,0,0] 3356 3343 for i in range(3): … … 3362 3349 Indx[refSel.GetId()] = [i,resGrid,len(RefObjs)] 3363 3350 refObj[i] = refSel 3364 refAtmSizer.Add(refSel,0, wx.ALIGN_CENTER_VERTICAL)3351 refAtmSizer.Add(refSel,0,WACV) 3365 3352 RefObjs.append(refObj) 3366 3353 … … 3415 3402 bond = wx.StaticText(ResidueRBDisplay,wx.ID_ANY, 3416 3403 '%s %s'%(atNames[iBeg],atNames[iFin]),size=(50,20)) 3417 seqSizer.Add(bond,0, wx.ALIGN_CENTER_VERTICAL)3404 seqSizer.Add(bond,0,WACV) 3418 3405 Indx[radBt.GetId()] = [Seq,iSeq,ang.GetId()] 3419 3406 Indx[delBt.GetId()] = [rbid,Seq] … … 3421 3408 ang.Bind(wx.EVT_TEXT_ENTER,ChangeAngle) 3422 3409 ang.Bind(wx.EVT_KILL_FOCUS,ChangeAngle) 3423 seqSizer.Add(ang,0, wx.ALIGN_CENTER_VERTICAL)3410 seqSizer.Add(ang,0,WACV) 3424 3411 atms = '' 3425 3412 for i in iMove: … … 3427 3414 moves = wx.StaticText(ResidueRBDisplay,wx.ID_ANY, 3428 3415 atms[:-1],size=(200,20)) 3429 seqSizer.Add(moves,1, wx.ALIGN_CENTER_VERTICAL|wx.EXPAND|wx.RIGHT)3416 seqSizer.Add(moves,1,WACV|wx.EXPAND|wx.RIGHT) 3430 3417 return seqSizer 3431 3418 … … 3678 3665 if str(G2mode) in constDict: 3679 3666 ch = G2G.HelpButton(panel2,fmtHelp(constDict[str(G2mode)],var)) 3680 subSizer2.Add(ch,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER,1)3667 subSizer2.Add(ch,0,wx.LEFT|wx.RIGHT|WACV|wx.ALIGN_CENTER,1) 3681 3668 else: 3682 3669 subSizer2.Add((-1,-1)) … … 3718 3705 if str(G2mode) in constDict: 3719 3706 ch = G2G.HelpButton(panel2,fmtHelp(constDict[str(G2mode)],var)) 3720 subSizer2.Add(ch,0,wx.LEFT|wx.RIGHT| wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_CENTER,1)3707 subSizer2.Add(ch,0,wx.LEFT|wx.RIGHT|WACV|wx.ALIGN_CENTER,1) 3721 3708 else: 3722 3709 subSizer2.Add((-1,-1)) -
trunk/GSASIIctrlGUI.py
r4588 r4594 2252 2252 topSizer = wx.BoxSizer(wx.HORIZONTAL) 2253 2253 h = max(35,17*int(len(title)/26.+1)) # adjust height of title box with guessed # of lines 2254 topSizer.Add( 2255 wx.StaticText(self,wx.ID_ANY,title,size=(-1,h)), 2254 topSizer.Add(wx.StaticText(self,wx.ID_ANY,title,size=(-1,h)), 2256 2255 1,wx.ALL|wx.EXPAND|WACV,1) 2257 2256 if filterBox: … … 2259 2258 self.timer.Bind(wx.EVT_TIMER,self.Filter) 2260 2259 topSizer.Add(wx.StaticText(self,wx.ID_ANY,'Filter: '),0,wx.ALL,1) 2261 self.filterBox = wx.TextCtrl(self, wx.ID_ANY, size=(80,-1), 2262 style=wx.TE_PROCESS_ENTER) 2260 self.filterBox = wx.TextCtrl(self, wx.ID_ANY, size=(80,-1),style=wx.TE_PROCESS_ENTER) 2263 2261 self.filterBox.Bind(wx.EVT_CHAR,self.onChar) 2264 2262 self.filterBox.Bind(wx.EVT_TEXT_ENTER,self.Filter) … … 2268 2266 self.clb.Bind(wx.EVT_LEFT_DCLICK,self.onDoubleClick) 2269 2267 if monoFont: 2270 font1 = wx.Font(self.clb.GetFont().GetPointSize(), 2271 wx.MODERN, wx.NORMAL, wx.NORMAL, False) 2268 font1 = wx.Font(self.clb.GetFont().GetPointSize(),wx.MODERN, wx.NORMAL, wx.NORMAL, False) 2272 2269 self.clb.SetFont(font1) 2273 2270 Sizer.Add(self.clb,1,wx.LEFT|wx.RIGHT|wx.EXPAND,10) … … 2910 2907 else: 2911 2908 title += ' using header line(s):' 2912 Sizer.Add(wx.StaticText(panel,label=title),0 ,WACV)2909 Sizer.Add(wx.StaticText(panel,label=title),0) 2913 2910 Sizer.Add((5,5)) 2914 2911 if self.Comments[-1] != '\n': self.Comments += '\n' 2915 2912 txt = wx.StaticText(panel,label=self.Comments) 2916 2913 txt.SetBackgroundColour((250,250,250)) 2917 font1 = wx.Font(txt.GetFont().GetPointSize(), 2918 wx.MODERN, wx.NORMAL, wx.NORMAL, False) 2914 font1 = wx.Font(txt.GetFont().GetPointSize(),wx.MODERN, wx.NORMAL, wx.NORMAL, False) 2919 2915 txt.SetFont(font1) 2920 Sizer.Add(txt,0,wx.ALL|wx.EXPAND |WACV,0)2916 Sizer.Add(txt,0,wx.ALL|wx.EXPAND,0) 2921 2917 txtSize = txt.GetSize()[1] 2922 2918 else: 2923 Sizer.Add(wx.StaticText(panel,label=title),0 ,WACV)2919 Sizer.Add(wx.StaticText(panel,label=title),0) 2924 2920 txtSize = 0 2925 2921 columnsSizer = wx.BoxSizer(wx.HORIZONTAL) … … 2942 2938 colSizer.Add(mod,0,WACV) 2943 2939 columnsSizer.Add(colSizer,0,wx.ALL|WACV|wx.EXPAND,10) 2944 Sizer.Add(columnsSizer,1,wx.ALL| WACV|wx.EXPAND,1)2945 Sizer.Add(wx.StaticText(panel,label=' For modify by, enter arithmetic string eg. "-12345.67". "+", "-", "*", "/", "**" all allowed'),0 ,WACV)2940 Sizer.Add(columnsSizer,1,wx.ALL|wx.EXPAND,1) 2941 Sizer.Add(wx.StaticText(panel,label=' For modify by, enter arithmetic string eg. "-12345.67". "+", "-", "*", "/", "**" all allowed'),0) 2946 2942 Sizer.Add((-1,10)) 2947 2943 # OK/Cancel buttons … … 3040 3036 Sizer = wx.BoxSizer(wx.VERTICAL) 3041 3037 Sizer.Add((-1,5)) 3042 Sizer.Add(wx.StaticText(panel,label=title),0 ,WACV)3038 Sizer.Add(wx.StaticText(panel,label=title),0) 3043 3039 dataSizer = wx.FlexGridSizer(0,nCol+1,0,0) 3044 3040 self.sel = [] … … 3653 3649 cents = self.text[-1].split(';') 3654 3650 for line in self.text: 3655 mainSizer.Add(wx.StaticText(self.panel,label=' %s '%(line)),0 ,WACV)3651 mainSizer.Add(wx.StaticText(self.panel,label=' %s '%(line)),0) 3656 3652 if 'equivalent' in line: 3657 3653 break … … 3661 3657 for ng in range(nG): 3662 3658 if ng: 3663 mainSizer.Add(wx.StaticText(self.panel,label=" for (0,0,0)+1'"),0 ,WACV)3659 mainSizer.Add(wx.StaticText(self.panel,label=" for (0,0,0)+1'"),0) 3664 3660 j = 0 3665 3661 for ic,cent in enumerate(cents): … … 3674 3670 if ng: #test for gray operators 3675 3671 label += "1'" 3676 mainSizer.Add(wx.StaticText(self.panel,label=label),0 ,WACV)3672 mainSizer.Add(wx.StaticText(self.panel,label=label),0) 3677 3673 tableSizer = wx.FlexGridSizer(0,2*ncol+3,0,0) 3678 3674 for item in self.table: … … 3710 3706 tableSizer.Add((20,0)) 3711 3707 j += 1 3712 mainSizer.Add(tableSizer,0 ,WACV)3708 mainSizer.Add(tableSizer,0) 3713 3709 3714 3710 … … 3791 3787 self.panel = wx.Panel(self) 3792 3788 mainSizer = wx.BoxSizer(wx.VERTICAL) 3793 mainSizer.Add(wx.StaticText(self.panel,-1,'Controls for phase '+data['Name']), 3794 0,WACV|wx.LEFT,10) 3789 mainSizer.Add(wx.StaticText(self.panel,-1,'Controls for phase '+data['Name']),0,wx.LEFT,10) 3795 3790 mainSizer.Add((10,10),1) 3796 3791 … … 6232 6227 btn = wx.Button(pnl, wx.ID_ANY, "Download a tutorial and view") 6233 6228 btn.Bind(wx.EVT_BUTTON, self.SelectAndDownload) 6234 sizer1a.Add(btn,0 ,WACV)6229 sizer1a.Add(btn,0) 6235 6230 btn = wx.Button(pnl, wx.ID_ANY, "Select from downloaded tutorials") 6236 6231 btn.Bind(wx.EVT_BUTTON, self.onSelectDownloaded) 6237 sizer1a.Add(btn,0 ,WACV)6232 sizer1a.Add(btn,0) 6238 6233 btn = wx.Button(pnl, wx.ID_ANY, "Browse tutorial on web") 6239 6234 btn.Bind(wx.EVT_BUTTON, self.onWebBrowse) 6240 sizer1a.Add(btn,0 ,WACV)6235 sizer1a.Add(btn,0) 6241 6236 btn = wx.Button(pnl, wx.ID_ANY, "Update downloaded tutorials") 6242 6237 btn.Bind(wx.EVT_BUTTON, self.UpdateDownloaded) 6243 sizer1b.Add(btn,0 ,WACV)6238 sizer1b.Add(btn,0) 6244 6239 btn = wx.Button(pnl, wx.ID_ANY, "Download all tutorials") 6245 6240 btn.Bind(wx.EVT_BUTTON, self.DownloadAll) 6246 sizer1b.Add(btn,0 ,WACV)6241 sizer1b.Add(btn,0) 6247 6242 sizer0.Add(sizer1a,0,wx.EXPAND|wx.ALL,0) 6248 6243 sizer0.Add(sizer1b,0,wx.EXPAND|wx.ALL,0) … … 6419 6414 pnl = wx.Panel(dlg) 6420 6415 sizer = wx.BoxSizer(wx.VERTICAL) 6421 listbox = wx.ListBox(pnl, wx.ID_ANY, choices=choices, 6422 size=(450, 100), 6423 style=wx.LB_SINGLE) 6424 sizer.Add(listbox,1,WACV|wx.EXPAND|wx.ALL,1) 6416 listbox = wx.ListBox(pnl, wx.ID_ANY, choices=choices,size=(450, 100),style=wx.LB_SINGLE) 6417 sizer.Add(listbox,1,wx.EXPAND|wx.ALL,1) 6425 6418 listbox.Bind(wx.EVT_LISTBOX_DCLICK, onDoubleClick) 6426 6419 sizer.Add((10,10)) … … 6871 6864 sizer = wx.BoxSizer(wx.HORIZONTAL) 6872 6865 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Select format:')) 6873 fmtSel = G2ChoiceButton(mnpnl,fmtchoices,Settings,'fmt', 6874 onChoice=onSetFmtSelection 6875 ) 6866 fmtSel = G2ChoiceButton(mnpnl,fmtchoices,Settings,'fmt',onChoice=onSetFmtSelection) 6876 6867 sizer.Add(fmtSel,1,wx.EXPAND) 6877 6868 mnsizer.Add(sizer,0,wx.EXPAND) … … 6879 6870 sizer = wx.BoxSizer(wx.HORIZONTAL) 6880 6871 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Select extension:')) 6881 extSel = G2ChoiceButton(mnpnl,[],Settings,'ext',Settings,'extStr', 6882 onChoice=onSetExtSelection 6883 ) 6872 extSel = G2ChoiceButton(mnpnl,[],Settings,'ext',Settings,'extStr',onChoice=onSetExtSelection) 6884 6873 sizer.Add(extSel,0) 6885 6874 mnsizer.Add(sizer,0,wx.EXPAND) … … 6894 6883 sizer = wx.BoxSizer(wx.HORIZONTAL) 6895 6884 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Read from: '),0,wx.ALIGN_CENTER_VERTICAL) 6896 fInp3 = ValidatedTxtCtrl(mnpnl,Settings,'indir',size=(300,-1), 6897 OnLeave=TestInput) 6885 fInp3 = ValidatedTxtCtrl(mnpnl,Settings,'indir',size=(300,-1),OnLeave=TestInput) 6898 6886 sizer.Add(fInp3,1,wx.ALIGN_CENTER_VERTICAL|wx.EXPAND) 6899 6887 btn3 = wx.Button(mnpnl, wx.ID_ANY, "Browse") … … 6905 6893 sizer = wx.BoxSizer(wx.HORIZONTAL) 6906 6894 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Instrument parameter file from: '),0,wx.ALIGN_CENTER_VERTICAL) 6907 fInp4 = ValidatedTxtCtrl(mnpnl,Settings,'instfile',size=(300,-1), 6908 OnLeave=TestInput) 6895 fInp4 = ValidatedTxtCtrl(mnpnl,Settings,'instfile',size=(300,-1),OnLeave=TestInput) 6909 6896 sizer.Add(fInp4,1,wx.ALIGN_CENTER_VERTICAL|wx.EXPAND) 6910 6897 btn4 = wx.Button(mnpnl, wx.ID_ANY, "Browse") -
trunk/GSASIIdataGUI.py
r4588 r4594 227 227 'hexagonal':['6','-6','6 2 2','6 m m','-6 m 2','-6 2 m',],'cubic':['2 3','4 3 2','-4 3 m']} 228 228 centChoice = ['noncentrosymmetric','centrosymmetric'] 229 mainSizer.Add(wx.StaticText(self.panel,label=' Select Laue class for new lattice:'),0 ,WACV)229 mainSizer.Add(wx.StaticText(self.panel,label=' Select Laue class for new lattice:'),0) 230 230 Class = wx.ComboBox(self.panel,value=self.Class,choices=laueClass, 231 231 style=wx.CB_READONLY|wx.CB_DROPDOWN) 232 232 Class.Bind(wx.EVT_COMBOBOX,OnClass) 233 mainSizer.Add(Class,0 ,WACV)234 mainSizer.Add(wx.StaticText(self.panel,label=' Target Laue symmetry:'),0 ,WACV)233 mainSizer.Add(Class,0) 234 mainSizer.Add(wx.StaticText(self.panel,label=' Target Laue symmetry:'),0) 235 235 Cent = wx.ComboBox(self.panel,value=self.Cent,choices=centChoice, 236 236 style=wx.CB_READONLY|wx.CB_DROPDOWN) … … 2793 2793 data = self.GPXtree.GetItemPyData(Id) 2794 2794 G2IO.ExportSequential(self,data,obj,typ) 2795 if 'mode' in inspect.getargspec(obj.Writer)[0]: 2796 item = submenu.Append(wx.ID_ANY,obj.formatName,obj.longFormatName) 2797 self.Bind(wx.EVT_MENU, seqMenuItemEventHandler, item) 2795 if '2' in platform.python_version_tuple()[0]: 2796 if 'mode' in inspect.getargspec(obj.Writer)[0]: 2797 item = submenu.Append(wx.ID_ANY,obj.formatName,obj.longFormatName) 2798 self.Bind(wx.EVT_MENU, seqMenuItemEventHandler, item) 2799 else: 2800 if 'mode' in inspect.getfullargspec(obj.Writer)[0]: 2801 item = submenu.Append(wx.ID_ANY,obj.formatName,obj.longFormatName) 2802 self.Bind(wx.EVT_MENU, seqMenuItemEventHandler, item) 2798 2803 # self.SeqExportLookup[item.GetId()] = (obj,lbl) # lookup table for submenu item 2799 2804 # Bind is in UpdateSeqResults … … 3412 3417 style = wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER) 3413 3418 mainSizer = wx.BoxSizer(wx.VERTICAL) 3414 mainSizer.Add(wx.StaticText(self.panel,label=self.text),0 ,WACV)3419 mainSizer.Add(wx.StaticText(self.panel,label=self.text),0) 3415 3420 mainSizer.Add((10,10)) 3416 3421 self.dataGridSizer = wx.FlexGridSizer(cols=2,hgap=2,vgap=2) … … 5612 5617 except AttributeError: 5613 5618 continue 5614 if 'mode' in inspect.getargspec(obj.Writer)[0]: 5615 objlist.append(obj) 5619 if '2' in platform.python_version_tuple()[0]: 5620 if 'mode' in inspect.getargspec(obj.Writer)[0]: 5621 objlist.append(obj) 5622 else: 5623 if 'mode' in inspect.getfullargspec(obj.Writer)[0]: 5624 objlist.append(obj) 5616 5625 if objlist: 5617 5626 submenu = wx.Menu() … … 6290 6299 text.AppendText(line+"\n") 6291 6300 text.AppendText('Notebook entry @ '+time.ctime()+"\n") 6292 G2frame.dataWindow.GetSizer().Add(wx.StaticText(G2frame.dataWindow,-1,' Add notes on project here: '),0 ,WACV)6301 G2frame.dataWindow.GetSizer().Add(wx.StaticText(G2frame.dataWindow,-1,' Add notes on project here: '),0) 6293 6302 G2frame.dataWindow.GetSizer().Add(text,1,wx.ALL|wx.EXPAND) 6294 6303 … … 6560 6569 subSizer = wx.BoxSizer(wx.HORIZONTAL) 6561 6570 subSizer.Add(wx.StaticText(G2frame.dataWindow, 6562 label='There are {} frozen variables (values refined outside limits)' 6563 .format(count)),0,WACV) 6571 label='There are {} frozen variables (values refined outside limits)'.format(count)),0,WACV) 6564 6572 subSizer.Add((5,-1)) 6565 6573 btn = wx.Button(G2frame.dataWindow, wx.ID_ANY,'Clear All Frozen') … … 8326 8334 wtSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data[0],'histTitle',typeHint=str, 8327 8335 notBlank=False,size=(300,-1)),1,WACV) 8328 mainSizer.Add(wtSizer,0 ,WACV)8336 mainSizer.Add(wtSizer,0) 8329 8337 if data[0].get('Dummy',False): 8330 8338 simSizer = wx.BoxSizer(wx.HORIZONTAL) -
trunk/GSASIIddataGUI.py
r4573 r4594 345 345 Sij += [val] 346 346 matrixSizer.Add(sizeVal,0,WACV) 347 dataSizer.Add(matrixSizer, 0 , WACV)347 dataSizer.Add(matrixSizer, 0) 348 348 Esize,Rsize = nl.eigh(G2lat.U6toUij(np.asarray(Sij))) 349 349 lengths = Esize … … 352 352 hkls = [x/(sum(x**2)**0.5) for x in np.dot(Rsize, GA)] 353 353 Ids = np.argsort(lengths) 354 dataSizer.Add(wx.StaticText(DData,label=' Principal ellipsoid components:'),0 ,WACV)354 dataSizer.Add(wx.StaticText(DData,label=' Principal ellipsoid components:'),0) 355 355 compSizer = wx.FlexGridSizer(3,3,5,5) 356 356 Axes = [' Short Axis:',' Middle Axis:',' Long Axis:'] … … 411 411 allzero = False 412 412 hstrainSizer.Add(hstrainVal,0,WACV) 413 hSizer.Add(hstrainSizer,0 ,WACV)413 hSizer.Add(hstrainSizer,0) 414 414 if not allzero: # show Dij shifted unit cell 415 415 DijVals = UseList[G2frame.hist]['HStrain'][0][:] … … 435 435 cellstr += txt+fmt.format(cell[Id]) 436 436 cellstr += ', Vol = {:.3f}'.format(G2lat.calc_V(newA)) 437 hSizer.Add(wx.StaticText(DData,wx.ID_ANY,' '+cellstr),0 ,WACV)437 hSizer.Add(wx.StaticText(DData,wx.ID_ANY,' '+cellstr),0) 438 438 return hSizer 439 439 … … 551 551 typeSizer.Add(approxTxT) 552 552 if UseList[G2frame.hist]['Extinction'][1] == 'None': 553 extSizer.Add(typeSizer,0 ,WACV)553 extSizer.Add(typeSizer,0) 554 554 else: 555 extSizer.Add(typeSizer,0, WACV|wx.BOTTOM,5)555 extSizer.Add(typeSizer,0,wx.BOTTOM,5) 556 556 if 'Tbar' in UseList[G2frame.hist]['Extinction'][2]: #skipped for TOF 557 557 valSizer =wx.BoxSizer(wx.HORIZONTAL) … … 564 564 xmin=0.,xmax=1.,nDig=(10,3),typeHint=float) 565 565 valSizer.Add(cos2tm,0,WACV) 566 extSizer.Add(valSizer,0 ,WACV)566 extSizer.Add(valSizer,0) 567 567 val2Sizer =wx.BoxSizer(wx.HORIZONTAL) 568 568 if 'Primary' in UseList[G2frame.hist]['Extinction'][1]: … … 583 583 xmin=0.,nDig=(10,3,'g'),typeHint=float) 584 584 val2Sizer.Add(Eval,0,WACV) 585 extSizer.Add(val2Sizer,0 ,WACV)585 extSizer.Add(val2Sizer,0) 586 586 else: #PWDR 587 587 extSizer = wx.BoxSizer(wx.HORIZONTAL) … … 743 743 twinv.Bind(wx.EVT_CHECKBOX, OnTwinInv) 744 744 matSizer.Add(twinv,0,WACV) 745 twinsizer.Add(matSizer,0, WACV|wx.LEFT,5)745 twinsizer.Add(matSizer,0,wx.LEFT,5) 746 746 valSizer = wx.BoxSizer(wx.HORIZONTAL) 747 747 valSizer.Add(wx.StaticText(DData,-1,label=' Twin element fraction:'),0,WACV) … … 764 764 twinref.Bind(wx.EVT_CHECKBOX, OnTwinRef) 765 765 valSizer.Add(twinref,0,WACV) 766 twinsizer.Add(valSizer,0, WACV|wx.LEFT,5)766 twinsizer.Add(valSizer,0,wx.LEFT,5) 767 767 return twinsizer 768 768 … … 890 890 if UseList[G2frame.hist]['LeBail']: 891 891 G2frame.SetStatusText('To reset LeBail, cycle LeBail check box.',1) 892 bottomSizer.Add(useBox,0, WACV|wx.TOP|wx.BOTTOM|wx.LEFT,5)892 bottomSizer.Add(useBox,0,wx.TOP|wx.BOTTOM|wx.LEFT,5) 893 893 fixBox = wx.BoxSizer(wx.HORIZONTAL) 894 894 parmChoice = [' ','X','XU','U','F','FX','FXU','FU'] … … 903 903 #TODO - put Sequential refinement fix F? fix X? fix U? CheckBox here 904 904 905 bottomSizer.Add(ScaleSizer(),0, WACV|wx.BOTTOM,5)905 bottomSizer.Add(ScaleSizer(),0,wx.BOTTOM,5) 906 906 907 907 if G2frame.hist[:4] == 'PWDR': … … 913 913 isoSizer.Add(ResetSizer('isotropic',OnResetSize),0,WACV) 914 914 bottomSizer.Add(isoSizer) 915 bottomSizer.Add(IsoSizer(u'size(\xb5m): ','Size',(10,4), 916 [0.,4.],OnSizeRef),0,WACV|wx.BOTTOM,5) 915 bottomSizer.Add(IsoSizer(u'size(\xb5m): ','Size',(10,4),[0.,4.],OnSizeRef),0,wx.BOTTOM,5) 917 916 elif UseList[G2frame.hist]['Size'][0] == 'uniaxial': 918 917 uniSizer = wx.BoxSizer(wx.HORIZONTAL) … … 921 920 uniSizer.Add(LGmixSizer('Size',[0.,1.],OnLGmixRef)) 922 921 uniSizer.Add(ResetSizer('uniaxial',OnResetSize),0,WACV) 923 bottomSizer.Add(UniSizer('Size',OnSizeAxis),0 ,WACV)922 bottomSizer.Add(UniSizer('Size',OnSizeAxis),0) 924 923 bottomSizer.Add(uniSizer) 925 bottomSizer.Add(UniDataSizer(u'size(\xb5m): ','Size',(10,3),[0.,4.],OnSizeRef) 926 ,0,WACV|wx.BOTTOM,5) 924 bottomSizer.Add(UniDataSizer(u'size(\xb5m): ','Size',(10,3),[0.,4.],OnSizeRef),0,wx.BOTTOM,5) 927 925 elif UseList[G2frame.hist]['Size'][0] == 'ellipsoidal': 928 926 ellSizer = wx.BoxSizer(wx.HORIZONTAL) … … 932 930 ellSizer.Add(ResetSizer('ellipsoidal',OnResetSize),0,WACV) 933 931 bottomSizer.Add(ellSizer) 934 bottomSizer.Add(EllSizeDataSizer(),0, WACV|wx.BOTTOM,5)932 bottomSizer.Add(EllSizeDataSizer(),0,wx.BOTTOM,5) 935 933 936 934 if UseList[G2frame.hist]['Mustrain'][0] == 'isotropic': … … 941 939 isoSizer.Add(ResetSizer('isotropic',OnResetStrain),0,WACV) 942 940 bottomSizer.Add(isoSizer) 943 bottomSizer.Add(IsoSizer(' microstrain: ','Mustrain',(10,1), 944 [0.,1.e5],OnStrainRef),0,WACV|wx.BOTTOM,5) 941 bottomSizer.Add(IsoSizer(' microstrain: ','Mustrain',(10,1),[0.,1.e5],OnStrainRef),0,wx.BOTTOM,5) 945 942 elif UseList[G2frame.hist]['Mustrain'][0] == 'uniaxial': 946 943 uniSizer = wx.BoxSizer(wx.HORIZONTAL) … … 950 947 uniSizer.Add(ResetSizer('uniaxial',OnResetStrain),0,WACV) 951 948 bottomSizer.Add(uniSizer) 952 bottomSizer.Add(UniSizer('Mustrain',OnStrainAxis),0,WACV) 953 bottomSizer.Add(UniDataSizer('mustrain: ','Mustrain',(10,1),[0.,1.e5],OnStrainRef) 954 ,0,WACV|wx.BOTTOM,5) 949 bottomSizer.Add(UniSizer('Mustrain',OnStrainAxis),0) 950 bottomSizer.Add(UniDataSizer('mustrain: ','Mustrain',(10,1),[0.,1.e5],OnStrainRef),0,wx.BOTTOM,5) 955 951 elif UseList[G2frame.hist]['Mustrain'][0] == 'generalized': 956 952 genSizer = wx.BoxSizer(wx.HORIZONTAL) … … 983 979 poSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Spherical harmonic coefficients: '+'Texture index: %.3f'%(textJ)) 984 980 ,0,WACV|wx.TOP|wx.BOTTOM,5) 985 poSizer.Add(SHDataSizer(POData),0, WACV|wx.TOP|wx.BOTTOM,5)986 poSizer.Add(SHPenalty(POData),0, WACV|wx.TOP|wx.BOTTOM,5)981 poSizer.Add(SHDataSizer(POData),0,wx.TOP|wx.BOTTOM,5) 982 poSizer.Add(SHPenalty(POData),0,wx.TOP|wx.BOTTOM,5) 987 983 988 bottomSizer.Add(poSizer,0, WACV|wx.TOP|wx.BOTTOM,5)989 bottomSizer.Add(ExtSizer('PWDR'),0, WACV|wx.TOP|wx.BOTTOM,5)984 bottomSizer.Add(poSizer,0,wx.TOP|wx.BOTTOM,5) 985 bottomSizer.Add(ExtSizer('PWDR'),0,wx.TOP|wx.BOTTOM,5) 990 986 if generalData['Type'] != 'magnetic': 991 bottomSizer.Add(BabSizer(),0, WACV|wx.BOTTOM,5)987 bottomSizer.Add(BabSizer(),0,wx.BOTTOM,5) 992 988 elif G2frame.hist[:4] == 'HKLF': 993 bottomSizer.Add(ExtSizer('HKLF'),0, WACV|wx.BOTTOM,5)994 bottomSizer.Add(BabSizer(),0, WACV|wx.BOTTOM,5)989 bottomSizer.Add(ExtSizer('HKLF'),0,wx.BOTTOM,5) 990 bottomSizer.Add(BabSizer(),0,wx.BOTTOM,5) 995 991 if not SGData['SGInv'] and len(UseList[G2frame.hist]['Twins']) < 2: 996 bottomSizer.Add(FlackSizer(),0, WACV|wx.BOTTOM,5)997 bottomSizer.Add(twinSizer(),0, WACV|wx.BOTTOM,5)992 bottomSizer.Add(FlackSizer(),0,wx.BOTTOM,5) 993 bottomSizer.Add(twinSizer(),0,wx.BOTTOM,5) 998 994 return bottomSizer 999 995 … … 1033 1029 DData.GetSizer().Clear(True) 1034 1030 mainSizer = wx.BoxSizer(wx.VERTICAL) 1035 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Histogram data for '+PhaseName+':'),0, WACV|wx.LEFT,5)1031 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Histogram data for '+PhaseName+':'),0,wx.LEFT,5) 1036 1032 if G2frame.hist: 1037 1033 topSizer = wx.FlexGridSizer(1,2,5,5) … … 1048 1044 mainSizer.Add(G2frame.bottomSizer) 1049 1045 elif not keyList: 1050 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY, ' (This project has no data; use Import to read it)'),1051 0,WACV|wx.TOP,10)1046 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY, 1047 ' (This project has no data; use Import to read it)'),0,wx.TOP,10) 1052 1048 elif not UseList in G2frame.dataWindow.HistsInPhase: 1053 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY, ' (This phase has no associated data; use appropriate Edit/Add... menu item)'),1054 0,WACV|wx.TOP,10)1049 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY, 1050 ' (This phase has no associated data; use appropriate Edit/Add... menu item)'),0,wx.TOP,10) 1055 1051 else: 1056 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,' (Strange, how did we get here?)'), 1057 0,WACV|wx.TOP,10) 1052 mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,' (Strange, how did we get here?)'),0,wx.TOP,10) 1058 1053 1059 1054 G2phG.SetPhaseWindow(DData,mainSizer,Scroll=Scroll) -
trunk/GSASIIexprGUI.py
r4492 r4594 207 207 if VarLabel: 208 208 label = wx.StaticText(self, wx.ID_ANY, VarLabel + ' = ') 209 self.exsizer.Add(label, 0, wx.ALL|wx.EXPAND| wx.ALIGN_CENTER_VERTICAL, 0)209 self.exsizer.Add(label, 0, wx.ALL|wx.EXPAND|WACV, 0) 210 210 elif depVarDict: 211 211 self.depParmLists = IndexParmDict(self.depVarDict,False) … … 220 220 choice.SetSelection(wx.NOT_FOUND) 221 221 choice.Bind(wx.EVT_CHOICE,self.OnDepChoice) 222 self.exsizer.Add(choice, 0, wx.ALL|wx.EXPAND| wx.ALIGN_CENTER_VERTICAL, 0)222 self.exsizer.Add(choice, 0, wx.ALL|wx.EXPAND|WACV, 0) 223 223 self.exsizer.Add((5,5)) 224 224 self.depLabel = wx.StaticText(self, wx.ID_ANY, ' ') 225 self.exsizer.Add(self.depLabel, 0, wx.ALL|wx.EXPAND| wx.ALIGN_CENTER_VERTICAL, 0)225 self.exsizer.Add(self.depLabel, 0, wx.ALL|wx.EXPAND|WACV, 0) 226 226 label = wx.StaticText(self, wx.ID_ANY, ' = ') 227 self.exsizer.Add(label, 0, wx.ALL|wx.EXPAND| wx.ALIGN_CENTER_VERTICAL, 0)227 self.exsizer.Add(label, 0, wx.ALL|wx.EXPAND|WACV, 0) 228 228 229 229 #self.exCtrl = wx.TextCtrl(self, wx.ID_ANY, size=(150,-1),style=wx.TE_PROCESS_ENTER) … … 233 233 self.exCtrl.Bind(wx.EVT_COMBOBOX, self.OnValidate) 234 234 self.exCtrl.Bind(wx.EVT_TEXT_ENTER, self.OnValidate) 235 self.exsizer.Add(self.exCtrl, 1, wx.ALL|wx.EXPAND| wx.ALIGN_CENTER_VERTICAL, 0)235 self.exsizer.Add(self.exCtrl, 1, wx.ALL|wx.EXPAND|WACV, 0) 236 236 #self.mainsizer.Add(self.exCtrl, 0, wx.ALL|wx.EXPAND, 5) 237 237 self.mainsizer.Add(self.exsizer, 0, wx.ALL|wx.EXPAND, 5) … … 257 257 self.ExtraCallBack = ExtraButton[1] 258 258 self.ExtraBtn.Disable() 259 bSizer.Add(self.ExtraBtn, 0, wx.ALL| wx.ALIGN_CENTER_VERTICAL, 2)259 bSizer.Add(self.ExtraBtn, 0, wx.ALL|WACV, 2) 260 260 else: 261 261 self.ExtraBtn = None … … 268 268 btnsizer.AddButton(btn) 269 269 btnsizer.Realize() 270 bSizer.Add(btnsizer, 0, wx.ALIGN_CENTER_VERTICAL|wx.ALL, 5)271 self.mainsizer.Add(bSizer, 0, wx.AL IGN_CENTER_VERTICAL|wx.ALL|wx.EXPAND, 5)270 bSizer.Add(btnsizer, 0, WACV|wx.ALL, 5) 271 self.mainsizer.Add(bSizer, 0, wx.ALL|wx.EXPAND, 5) 272 272 self.SetSizer(self.mainsizer) 273 273 self.CenterOnParent() … … 752 752 self.panel = wx.Panel(self) 753 753 mainSizer = wx.BoxSizer(wx.VERTICAL) 754 mainSizer.Add(wx.StaticText(self.panel,label=self.header),0 ,WACV)754 mainSizer.Add(wx.StaticText(self.panel,label=self.header),0) 755 755 pNames = list(self.Phases.keys()) 756 756 phaseSizer = wx.BoxSizer(wx.HORIZONTAL) … … 895 895 if self.Oatom: 896 896 neigh = G2mth.FindAllNeighbors(Phase,self.Oatom,aNames)[0] 897 mainSizer.Add(wx.StaticText(self.panel,label=' A-O-B angle for A,B: '),0 ,WACV)897 mainSizer.Add(wx.StaticText(self.panel,label=' A-O-B angle for A,B: '),0) 898 898 bNames = ['',] 899 899 if neigh: … … 904 904 style=wx.CB_READONLY|wx.CB_DROPDOWN) 905 905 targAtoms.Bind(wx.EVT_COMBOBOX,OnTargAtoms) 906 mainSizer.Add(targAtoms,0 ,WACV)906 mainSizer.Add(targAtoms,0) 907 907 908 908 -
trunk/GSASIIfiles.py
r4388 r4594 22 22 ''' 23 23 from __future__ import division, print_function 24 import platform 24 25 import os 25 26 import sys 26 27 import glob 28 import inspect 29 import numpy as np 27 30 import imp 28 import inspect29 import platform30 import numpy as np31 31 32 32 import GSASIIpath -
trunk/GSASIIfpaGUI.py
r4519 r4594 32 32 import GSASIImath as G2mth 33 33 import GSASIIpwd as G2pwd 34 WACV = wx.ALIGN_CENTER_VERTICAL 34 35 35 36 simParms = {} … … 140 141 prmSizer.Add(text,0,wx.EXPAND) 141 142 for lbl,defVal,text in itemList: 142 prmSizer.Add(wx.StaticText(prmPnl,wx.ID_ANY,lbl),1,wx.ALIGN_RIGHT| wx.ALIGN_CENTER_VERTICAL,1)143 prmSizer.Add(wx.StaticText(prmPnl,wx.ID_ANY,lbl),1,wx.ALIGN_RIGHT|WACV,1) 143 144 if lbl not in parmDict: parmDict[lbl] = defVal 144 145 ctrl = G2G.ValidatedTxtCtrl(prmPnl,parmDict,lbl,size=(70,-1)) 145 prmSizer.Add(ctrl,1,wx.ALL| wx.ALIGN_CENTER_VERTICAL,1)146 prmSizer.Add(ctrl,1,wx.ALL|WACV,1) 146 147 txt = wx.StaticText(prmPnl,wx.ID_ANY,text,size=(400,-1)) 147 148 txt.Wrap(380) … … 251 252 if i not in parmDict[prm]: parmDict[prm][i] = defVal 252 253 ctrl = G2G.ValidatedTxtCtrl(FPdlg,parmDict[prm],i,size=(90,-1)) 253 waveSizer.Add(ctrl,1, wx.ALIGN_CENTER_VERTICAL,1)254 waveSizer.Add(ctrl,1,WACV,1) 254 255 MainSizer.Add(waveSizer) 255 256 MainSizer.Add((-1,5)) … … 598 599 bxye = np.zeros(len(histData[1][1])) 599 600 peakData['sigDict'] = G2pwd.DoPeakFit('LSQ',peakData['peaks'], 600 bkg,limits[1], 601 Parms,Parms2,histData[1],bxye,[], 602 False,controldat)[0] 601 bkg,limits[1],Parms,Parms2,histData[1],bxye,[],False,controldat)[0] 603 602 pgbar.Update(20,newmsg='Refining peak positions && areas') 604 603 # refine peak areas as well … … 606 605 pk[1] = True 607 606 peakData['sigDict'] = G2pwd.DoPeakFit('LSQ',peakData['peaks'], 608 bkg,limits[1], 609 Parms,Parms2,histData[1],bxye,[], 610 False,controldat)[0] 607 bkg,limits[1],Parms,Parms2,histData[1],bxye,[],False,controldat)[0] 611 608 pgbar.Update(40,newmsg='Refining profile function') 612 609 # refine profile function … … 614 611 Parms[p][2] = True 615 612 peakData['sigDict'] = G2pwd.DoPeakFit('LSQ',peakData['peaks'], 616 bkg,limits[1], 617 Parms,Parms2,histData[1],bxye,[], 618 False,controldat)[0] 613 bkg,limits[1],Parms,Parms2,histData[1],bxye,[],False,controldat)[0] 619 614 pgbar.Update(70,newmsg='Refining profile function && asymmetry') 620 615 # add in asymmetry 621 616 Parms['SH/L'][2] = True 622 617 peakData['sigDict'] = G2pwd.DoPeakFit('LSQ',peakData['peaks'], 623 bkg,limits[1], 624 Parms,Parms2,histData[1],bxye,[], 625 False,controldat)[0] 618 bkg,limits[1],Parms,Parms2,histData[1],bxye,[],False,controldat)[0] 626 619 pgbar.Update(100,newmsg='Done') 627 620 # reset "initial" profile … … 719 712 if key not in simParms: simParms[key] = defVal 720 713 ctrl = G2G.ValidatedTxtCtrl(dlg,simParms,key,size=(70,-1)) 721 prmSizer.Add(ctrl,1,wx.ALL| wx.ALIGN_CENTER_VERTICAL,1)714 prmSizer.Add(ctrl,1,wx.ALL|WACV,1) 722 715 txt = wx.StaticText(dlg,wx.ID_ANY,text,size=(300,-1)) 723 716 txt.Wrap(280) … … 737 730 MainSizer.Add(btnsizer, 0, wx.ALIGN_CENTER, 0) 738 731 MainSizer.Add((-1,4),1,wx.EXPAND,1) 739 txt = wx.StaticText(dlg,wx.ID_ANY, 740 'If you use this, please cite: '+Citation, 741 size=(350,-1)) 732 txt = wx.StaticText(dlg,wx.ID_ANY,'If you use this, please cite: '+Citation,size=(350,-1)) 742 733 txt.Wrap(340) 743 734 MainSizer.Add(txt,0,wx.ALIGN_CENTER) -
trunk/GSASIIimgGUI.py
r4589 r4594 158 158 mainSizer = G2frame.dataWindow.GetSizer() 159 159 mainSizer.Add(wx.StaticText(G2frame.dataWindow, 160 label='Do not change anything here unless you are absolutely sure!'),0 ,WACV)161 mainSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Image size: %d by %d'%(data['size'][0],data['size'][1])),0 ,WACV)160 label='Do not change anything here unless you are absolutely sure!'),0) 161 mainSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Image size: %d by %d'%(data['size'][0],data['size'][1])),0) 162 162 pixSize = wx.FlexGridSizer(0,4,5,5) 163 163 pixLabels = [u' Pixel X-dimension (\xb5m)',u' Pixel Y-dimension (\xb5m)'] … … 2930 2930 lblsizr = wx.StaticBoxSizer(lbl, wx.VERTICAL) 2931 2931 lblsizr.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Use integration parameters from:')) 2932 self.useActive = wx.RadioButton(mnpnl, wx.ID_ANY, 2933 style = wx.RB_GROUP) 2932 self.useActive = wx.RadioButton(mnpnl, wx.ID_ANY, style = wx.RB_GROUP) 2934 2933 self.useActive.Bind(wx.EVT_RADIOBUTTON, OnRadioSelect) 2935 self.useActive.SetLabel("Active Image: "+ 2936 G2frame.GPXtree.GetItemText(self.imageBase)) 2934 self.useActive.SetLabel("Active Image: "+G2frame.GPXtree.GetItemText(self.imageBase)) 2937 2935 lblsizr.Add(self.useActive,0,wx.EXPAND,1) 2938 2936 self.useActive.SetValue(True) … … 2957 2955 btn3 = wx.Button(mnpnl, wx.ID_ANY, "Browse") 2958 2956 btn3.Bind(wx.EVT_BUTTON, self.SetSourceDir) 2959 sizer.Add(btn3,0,wx.ALIGN_RIGHT| wx.ALIGN_CENTER_VERTICAL)2957 sizer.Add(btn3,0,wx.ALIGN_RIGHT|WACV) 2960 2958 mnsizer.Add(sizer,0,wx.EXPAND,0) 2961 2959 # not yet implemented … … 2981 2979 lblsizr = wx.StaticBoxSizer(lbl, wx.VERTICAL) 2982 2980 sizer = wx.BoxSizer(wx.HORIZONTAL) 2983 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Write to: '),0, wx.ALIGN_CENTER_VERTICAL)2981 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Write to: '),0,WACV) 2984 2982 fInp3 = G2G.ValidatedTxtCtrl(mnpnl,self.params,'outdir',notBlank=False,size=(300,-1)) 2985 sizer.Add(fInp3,1, wx.ALIGN_CENTER_VERTICAL|wx.EXPAND)2983 sizer.Add(fInp3,1,WACV|wx.EXPAND) 2986 2984 btn3 = wx.Button(mnpnl, wx.ID_ANY, "Browse") 2987 2985 btn3.Bind(wx.EVT_BUTTON, OnBrowse) 2988 sizer.Add(btn3,0,wx.ALIGN_RIGHT| wx.ALIGN_CENTER_VERTICAL)2986 sizer.Add(btn3,0,wx.ALIGN_RIGHT|WACV) 2989 2987 lblsizr.Add(sizer,0,wx.EXPAND) 2990 2988 sizer = wx.BoxSizer(wx.HORIZONTAL) … … 3025 3023 #ToDO: Autonormalize, parm name?, scaling value? 3026 3024 sizer = wx.BoxSizer(wx.HORIZONTAL) 3027 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Autocompute PDF:'),0, wx.ALIGN_CENTER_VERTICAL)3025 sizer.Add(wx.StaticText(mnpnl, wx.ID_ANY,'Autocompute PDF:'),0,WACV) 3028 3026 sizer.Add(G2G.G2CheckBox(mnpnl,'',self.params,'ComputePDF',OnChange=showPDFctrls)) 3029 3027 lbl4a = wx.StaticText(mnpnl, wx.ID_ANY,'Max detector distance: ') 3030 sizer.Add(lbl4a,0, wx.ALIGN_CENTER_VERTICAL)3028 sizer.Add(lbl4a,0,WACV) 3031 3029 fInp4a = G2G.ValidatedTxtCtrl(mnpnl,self.params,'pdfDmax',xmin=0.0) 3032 sizer.Add(fInp4a,0, wx.ALIGN_CENTER_VERTICAL)3030 sizer.Add(fInp4a,0,WACV) 3033 3031 cOpt = G2G.G2CheckBox(mnpnl,'Optimize',self.params,'optPDF') 3034 3032 sizer.Add(cOpt) … … 3036 3034 sizer = wx.BoxSizer(wx.HORIZONTAL) 3037 3035 lbl4 = wx.StaticText(mnpnl, wx.ID_ANY,'PDF control: ') 3038 sizer.Add(lbl4,0, wx.ALIGN_CENTER_VERTICAL)3036 sizer.Add(lbl4,0,WACV) 3039 3037 fInp4 = G2G.ValidatedTxtCtrl(mnpnl,self.params,'pdfprm',notBlank=True,size=(300,-1), 3040 3038 OnLeave=scanPDFprm) 3041 sizer.Add(fInp4,1, wx.ALIGN_CENTER_VERTICAL|wx.EXPAND)3039 sizer.Add(fInp4,1,WACV|wx.EXPAND) 3042 3040 btn4 = wx.Button(mnpnl, wx.ID_ANY, "Browse") 3043 3041 btn4.Bind(wx.EVT_BUTTON, OnBrowse) 3044 sizer.Add(btn4,0,wx.ALIGN_RIGHT| wx.ALIGN_CENTER_VERTICAL)3042 sizer.Add(btn4,0,wx.ALIGN_RIGHT|WACV) 3045 3043 lblsizr.Add(sizer,0,wx.EXPAND) 3046 3044 mnsizer.Add(lblsizr,0,wx.ALIGN_CENTER|wx.EXPAND,1) -
trunk/GSASIIphsGUI.py
r4583 r4594 116 116 self.force = wx.RadioBox(panel,-1,'Force to unit cell?',choices=choice) 117 117 self.force.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) 118 mainSizer.Add(self.force,0, WACV|wx.TOP,5)118 mainSizer.Add(self.force,0,wx.TOP,5) 119 119 # if SGData['SGInv']: 120 120 choice = ['No','Yes'] 121 121 self.inv = wx.RadioBox(panel,-1,'Choose inversion?',choices=choice) 122 122 self.inv.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) 123 mainSizer.Add(self.inv,0 ,WACV)123 mainSizer.Add(self.inv,0) 124 124 if SGData['SGLatt'] != 'P': 125 125 LattOp = G2spc.Latt2text(SGData['SGCen']).split(';') 126 126 self.latt = wx.RadioBox(panel,-1,'Choose cell centering?',choices=LattOp) 127 127 self.latt.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) 128 mainSizer.Add(self.latt,0 ,WACV)128 mainSizer.Add(self.latt,0) 129 129 if SGData['SGLaue'] in ['-1','2/m','mmm','4/m','4/mmm']: 130 130 Ncol = 2 … … 137 137 majorDimension=Ncol) 138 138 self.oprs.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) 139 mainSizer.Add(self.oprs,0, WACV|wx.BOTTOM,5)140 mainSizer.Add(wx.StaticText(panel,-1," Choose unit cell?"),0 ,WACV)139 mainSizer.Add(self.oprs,0,wx.BOTTOM,5) 140 mainSizer.Add(wx.StaticText(panel,-1," Choose unit cell?"),0) 141 141 cellSizer = wx.BoxSizer(wx.HORIZONTAL) 142 142 cellName = ['X','Y','Z'] … … 147 147 self.cell[-1].SetValue(0) 148 148 self.cell[-1].Bind(wx.EVT_SPINCTRL, self.OnOpSelect) 149 cellSizer.Add(self.cell[-1],0 ,WACV)150 mainSizer.Add(cellSizer,0, WACV|wx.BOTTOM,5)149 cellSizer.Add(self.cell[-1],0) 150 mainSizer.Add(cellSizer,0,wx.BOTTOM,5) 151 151 if self.New: 152 152 choice = ['No','Yes'] 153 153 self.new = wx.RadioBox(panel,-1,'Generate new positions?',choices=choice) 154 154 self.new.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) 155 mainSizer.Add(self.new,0 ,WACV)155 mainSizer.Add(self.new,0) 156 156 157 157 OkBtn = wx.Button(panel,-1,"Ok") … … 229 229 self.panel = wx.Panel(self) 230 230 mainSizer = wx.BoxSizer(wx.VERTICAL) 231 mainSizer.Add(wx.StaticText(self.panel,label=' Sphere of enclosure controls:'),0 ,WACV)231 mainSizer.Add(wx.StaticText(self.panel,label=' Sphere of enclosure controls:'),0) 232 232 topSizer = wx.BoxSizer(wx.HORIZONTAL) 233 233 atoms = [] … … 248 248 topSizer.Add(wx.StaticText(self.panel,label=' Sphere centered at drawing view point'),0,WACV) 249 249 self.centers.append(self.Drawing['viewPoint'][0]) 250 mainSizer.Add(topSizer,0 ,WACV)250 mainSizer.Add(topSizer,0) 251 251 sphereSizer = wx.BoxSizer(wx.HORIZONTAL) 252 252 sphereSizer.Add(wx.StaticText(self.panel,label=' Sphere radius: '),0,WACV) 253 253 radius = G2G.ValidatedTxtCtrl(self.panel,self.Sphere,0,nDig=(10,3),size=(65,25)) 254 254 sphereSizer.Add(radius,0,WACV) 255 mainSizer.Add(sphereSizer,0 ,WACV)256 mainSizer.Add(wx.StaticText(self.panel,label=' Target selected atoms:'),0 ,WACV)255 mainSizer.Add(sphereSizer,0) 256 mainSizer.Add(wx.StaticText(self.panel,label=' Target selected atoms:'),0) 257 257 atSizer = wx.BoxSizer(wx.HORIZONTAL) 258 258 Ind = {} … … 263 263 Ind[atm.GetId()] = i 264 264 atSizer.Add(atm,0,WACV) 265 mainSizer.Add(atSizer,0 ,WACV)265 mainSizer.Add(atSizer,0) 266 266 267 267 OkBtn = wx.Button(self.panel,-1,"Ok") … … 460 460 mag = wx.Button(self.panel,label='Make new phase magnetic?') 461 461 mag.Bind(wx.EVT_BUTTON,OnMag) 462 mainSizer.Add(mag,0 ,WACV)462 mainSizer.Add(mag,0) 463 463 MatSizer = wx.BoxSizer(wx.HORIZONTAL) 464 464 transSizer = wx.BoxSizer(wx.VERTICAL) … … 508 508 Mtrans.Bind(wx.EVT_CHECKBOX,OnMtrans) 509 509 MagSizer.Add(Mtrans,0,WACV) 510 mainSizer.Add(MagSizer,0 ,WACV)511 mainSizer.Add(wx.StaticText(self.panel,label=' Old lattice parameters:'),0 ,WACV)510 mainSizer.Add(MagSizer,0) 511 mainSizer.Add(wx.StaticText(self.panel,label=' Old lattice parameters:'),0) 512 512 mainSizer.Add(wx.StaticText(self.panel,label= 513 ' a = %.5f b = %.5f c = %.5f'%(self.oldCell[0],self.oldCell[1],self.oldCell[2])),0 ,WACV)513 ' a = %.5f b = %.5f c = %.5f'%(self.oldCell[0],self.oldCell[1],self.oldCell[2])),0) 514 514 mainSizer.Add(wx.StaticText(self.panel,label=' alpha = %.3f beta = %.3f gamma = %.3f'% 515 (self.oldCell[3],self.oldCell[4],self.oldCell[5])),0 ,WACV)516 mainSizer.Add(wx.StaticText(self.panel,label=' volume = %.3f'%(self.oldCell[6])),0 ,WACV)517 mainSizer.Add(wx.StaticText(self.panel,label=' New lattice parameters:'),0 ,WACV)515 (self.oldCell[3],self.oldCell[4],self.oldCell[5])),0) 516 mainSizer.Add(wx.StaticText(self.panel,label=' volume = %.3f'%(self.oldCell[6])),0) 517 mainSizer.Add(wx.StaticText(self.panel,label=' New lattice parameters:'),0) 518 518 mainSizer.Add(wx.StaticText(self.panel,label= 519 ' a = %.5f b = %.5f c = %.5f'%(self.newCell[0],self.newCell[1],self.newCell[2])),0 ,WACV)519 ' a = %.5f b = %.5f c = %.5f'%(self.newCell[0],self.newCell[1],self.newCell[2])),0) 520 520 mainSizer.Add(wx.StaticText(self.panel,label=' alpha = %.3f beta = %.3f gamma = %.3f'% 521 (self.newCell[3],self.newCell[4],self.newCell[5])),0 ,WACV)522 mainSizer.Add(wx.StaticText(self.panel,label=' volume = %.3f'%(self.newCell[6])),0 ,WACV)521 (self.newCell[3],self.newCell[4],self.newCell[5])),0) 522 mainSizer.Add(wx.StaticText(self.panel,label=' volume = %.3f'%(self.newCell[6])),0) 523 523 sgSizer = wx.BoxSizer(wx.HORIZONTAL) 524 524 sgSizer.Add(wx.StaticText(self.panel,label=' Target space group: '),0,WACV) … … 529 529 showOps.Bind(wx.EVT_BUTTON,OnShowOps) 530 530 sgSizer.Add(showOps,0,WACV) 531 mainSizer.Add(sgSizer,0 ,WACV)531 mainSizer.Add(sgSizer,0) 532 532 if 'magnetic' not in self.Phase['General']['Type']: 533 533 if self.ifMag: … … 559 559 OprNames,SpnFlp = G2spc.GenMagOps(self.SGData) 560 560 self.SGData['SpnFlp'] = SpnFlp 561 mainSizer.Add(BNSizer,0 ,WACV)562 mainSizer.Add(wx.StaticText(self.panel,label=' Magnetic Space Group: '+self.SGData['MagSpGrp']),0 ,WACV)561 mainSizer.Add(BNSizer,0) 562 mainSizer.Add(wx.StaticText(self.panel,label=' Magnetic Space Group: '+self.SGData['MagSpGrp']),0) 563 563 if self.ifMag: 564 564 mainSizer.Add(wx.StaticText(self.panel, \ 565 label=' NB: Nonmagnetic atoms will be deleted from new phase'),0 ,WACV)565 label=' NB: Nonmagnetic atoms will be deleted from new phase'),0) 566 566 constr = wx.CheckBox(self.panel,label=' Make constraints between phases?') 567 567 constr.SetValue(self.ifConstr) 568 568 constr.Bind(wx.EVT_CHECKBOX,OnConstr) 569 mainSizer.Add(constr,0 ,WACV)569 mainSizer.Add(constr,0) 570 570 TestBtn = wx.Button(self.panel,-1,"Test") 571 571 TestBtn.Bind(wx.EVT_BUTTON, OnTest) … … 648 648 Xstr = ['X','Y','Z'] 649 649 mainSizer = wx.BoxSizer(wx.VERTICAL) 650 mainSizer.Add(wx.StaticText(self.panel,label='For: %s'%self.Name),0 ,WACV)650 mainSizer.Add(wx.StaticText(self.panel,label='For: %s'%self.Name),0) 651 651 652 652 if self.ifMag: 653 mainSizer.Add(wx.StaticText(self.panel,label=' Name, x, y, z, allowed moments, mag. site sym:'),0 ,WACV)653 mainSizer.Add(wx.StaticText(self.panel,label=' Name, x, y, z, allowed moments, mag. site sym:'),0) 654 654 else: 655 mainSizer.Add(wx.StaticText(self.panel,label=' Name, x, y, z, allowed xyz, site sym:'),0 ,WACV)655 mainSizer.Add(wx.StaticText(self.panel,label=' Name, x, y, z, allowed xyz, site sym:'),0) 656 656 atmSizer = wx.FlexGridSizer(0,2,5,5) 657 657 for iuse,[use,atom,mxyz] in enumerate(zip(self.Use,self.Atoms,self.atMxyz)): … … 804 804 rotvec.Bind(wx.EVT_KILL_FOCUS,OnRotVec) 805 805 rotationBox.Add(rotvec,0,WACV) 806 mainSizer.Add(rotationBox,0 ,WACV)806 mainSizer.Add(rotationBox,0) 807 807 expandChoice = ['','xy','xz','yz','xyz'] 808 808 expandBox = wx.BoxSizer(wx.HORIZONTAL) … … 901 901 self.panel = wx.Panel(self) 902 902 mainSizer = wx.BoxSizer(wx.VERTICAL) 903 mainSizer.Add(wx.StaticText(self.panel,label=' Controls for DIFFaX'),0 ,WACV)903 mainSizer.Add(wx.StaticText(self.panel,label=' Controls for DIFFaX'),0) 904 904 if self.Parms: 905 mainSizer.Add(wx.StaticText(self.panel,label=' Sequential powder pattern simulation'),0 ,WACV)905 mainSizer.Add(wx.StaticText(self.panel,label=' Sequential powder pattern simulation'),0) 906 906 else: 907 907 calcChoice = ['powder pattern','selected area'] … … 1030 1030 mainSizer.Add(wx.StaticText(self.panel,-1,'H atom add controls for phase %s:'%(phase['General']['Name'])), 1031 1031 0,wx.LEFT|wx.TOP,10) 1032 mainSizer.Add(wx.StaticText(self.panel,-1,'NB: Check selections as they may not be correct'),0 ,WACV|wx.LEFT,10)1032 mainSizer.Add(wx.StaticText(self.panel,-1,'NB: Check selections as they may not be correct'),0|wx.LEFT,10) 1033 1033 mainSizer.Add(wx.StaticText(self.panel,-1," Atom: Add # H's Use: Neighbors, dist"),0,wx.TOP|wx.LEFT,5) 1034 1034 nHatms = ['0','1','2','3'] … … 2302 2302 MagSym += " 1'" 2303 2303 magSizer = wx.BoxSizer(wx.VERTICAL) 2304 magSizer.Add(wx.StaticText(General,label=' Magnetic spin operator selection:'),0 ,WACV)2304 magSizer.Add(wx.StaticText(General,label=' Magnetic spin operator selection:'),0) 2305 2305 spinSizer = wx.BoxSizer(wx.HORIZONTAL) 2306 2306 if SGData['SGFixed']: … … 2349 2349 dminVal = G2G.ValidatedTxtCtrl(General,generalData,'MagDmin',nDig=(10,4),xmin=0.7) 2350 2350 dminSizer.Add(dminVal,0,WACV) 2351 magSizer.Add(dminSizer,0 ,WACV)2351 magSizer.Add(dminSizer,0) 2352 2352 return magSizer 2353 2353 … … 2445 2445 Max.Bind(wx.EVT_COMBOBOX,OnMax) 2446 2446 modSizer.Add(Max,0,WACV) 2447 ssSizer.Add(modSizer,0 ,WACV)2447 ssSizer.Add(modSizer,0) 2448 2448 vecSizer = wx.FlexGridSizer(1,5,5,5) 2449 2449 vecSizer.Add(wx.StaticText(General,label=' Modulation vector: '),0,WACV) … … 2562 2562 refList.Bind(wx.EVT_BUTTON,OnRefList) 2563 2563 lineSizer.Add(refList,0,WACV) 2564 mapSizer.Add(lineSizer,0 ,WACV)2564 mapSizer.Add(lineSizer,0) 2565 2565 line2Sizer = wx.BoxSizer(wx.HORIZONTAL) 2566 2566 line2Sizer.Add(wx.StaticText(General,label=' Map grid step: '),0,WACV) … … 2576 2576 Dysno.Bind(wx.EVT_CHECKBOX,OnDysnomia) 2577 2577 line2Sizer.Add(Dysno,0,WACV) 2578 mapSizer.Add(line2Sizer,0 ,WACV)2578 mapSizer.Add(line2Sizer,0) 2579 2579 return mapSizer 2580 2580 … … 2636 2636 normElem.Bind(wx.EVT_BUTTON,OnNormElem) 2637 2637 lineSizer.Add(normElem,0,WACV) 2638 flipSizer.Add(lineSizer,0 ,WACV)2638 flipSizer.Add(lineSizer,0) 2639 2639 line2Sizer = wx.BoxSizer(wx.HORIZONTAL) 2640 2640 line2Sizer.Add(wx.StaticText(General,label=' Map grid step: '),0,WACV) … … 2647 2647 kMax = G2G.ValidatedTxtCtrl(General,Flip,'k-Max',nDig=(10,1),xmin=10.) 2648 2648 line2Sizer.Add(kMax,0,WACV) 2649 flipSizer.Add(line2Sizer,0 ,WACV)2649 flipSizer.Add(line2Sizer,0) 2650 2650 line3Sizer = wx.BoxSizer(wx.HORIZONTAL) 2651 2651 line3Sizer.Add(wx.StaticText(General,label=' Test HKLs:'),0,WACV) … … 2865 2865 atTypes = generalData['AtomTypes'] 2866 2866 compSizer = wx.BoxSizer(wx.VERTICAL) 2867 compSizer.Add(wx.StaticText(General,label=' Compare polyhedra to ideal octahedra/tetrahedra:'),0 ,WACV)2867 compSizer.Add(wx.StaticText(General,label=' Compare polyhedra to ideal octahedra/tetrahedra:'),0) 2868 2868 2869 2869 atmselSizer = wx.BoxSizer(wx.HORIZONTAL) … … 2890 2890 except KeyError: 2891 2891 pass 2892 compSizer.Add(atmselSizer,0 ,WACV)2892 compSizer.Add(atmselSizer,0) 2893 2893 return compSizer 2894 2894 … … 4844 4844 4845 4845 Indx = {} 4846 mainSizer.Add(wx.StaticText(G2frame.FRMC,label='Select data for processing: '),0 ,WACV)4846 mainSizer.Add(wx.StaticText(G2frame.FRMC,label='Select data for processing: '),0) 4847 4847 if G2frame.RMCchoice == 'fullrmc': 4848 4848 Heads = ['Name','File','Weight','type','Plot','Delete'] … … 4859 4859 fileSizer.Add(filSel,0,WACV) 4860 4860 if Rfile and os.path.exists(Rfile): # in case .gpx file is moved away from G(R), F(Q), etc. files 4861 fileSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['files'][fil],1, 4862 size=(50,25)),0,WACV) 4861 fileSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['files'][fil],1,size=(50,25)),0,WACV) 4863 4862 #patch 4864 4863 if len(RMCPdict['files'][fil]) < 4: … … 4903 4902 fileSizer.Add((-1,-1),0) 4904 4903 fileSizer.Add((-1,-1),0) 4905 mainSizer.Add(fileSizer,0 ,WACV)4904 mainSizer.Add(fileSizer,0) 4906 4905 fitscale = wx.CheckBox(G2frame.FRMC,label=' Fit scale factors?') 4907 4906 fitscale.SetValue(RMCPdict['FitScale']) 4908 4907 fitscale.Bind(wx.EVT_CHECKBOX,OnFitScale) 4909 mainSizer.Add(fitscale,0 ,WACV)4908 mainSizer.Add(fitscale,0) 4910 4909 mainSizer.Add(wx.StaticText(G2frame.FRMC, 4911 label=' NB: fullrmc data files must be 2 columns; all other lines preceeded by "#". Edit before use.'),0 ,WACV)4910 label=' NB: fullrmc data files must be 2 columns; all other lines preceeded by "#". Edit before use.'),0) 4912 4911 return 4913 4912 # RMCProfile … … 4947 4946 fileSizer.Add((5,5),0) 4948 4947 fileSizer.Add((5,5),0) 4949 mainSizer.Add(fileSizer,0 ,WACV)4948 mainSizer.Add(fileSizer,0) 4950 4949 fitscale = wx.CheckBox(G2frame.FRMC,label=' Fit scale factors?') 4951 4950 fitscale.SetValue(RMCPdict['FitScale']) 4952 4951 fitscale.Bind(wx.EVT_CHECKBOX,OnFitScale) 4953 mainSizer.Add(fitscale,0 ,WACV)4952 mainSizer.Add(fitscale,0) 4954 4953 return 4955 4954 … … 4973 4972 RMCsel.SetStringSelection(G2frame.RMCchoice) 4974 4973 RMCsel.Bind(wx.EVT_RADIOBOX, OnRMCselect) 4975 mainSizer.Add(RMCsel,0 ,WACV)4976 mainSizer.Add((5,5),0 ,WACV)4974 mainSizer.Add(RMCsel,0) 4975 mainSizer.Add((5,5),0) 4977 4976 if G2frame.RMCchoice == 'fullrmc': 4978 4977 try: … … 4995 4994 G2frame.dataWindow.FRMCDataEdit.Enable(G2G.wxID_RUNRMC,True) 4996 4995 G2frame.dataWindow.FRMCDataEdit.Enable(G2G.wxID_VIEWRMC,True) 4997 #mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' fullrmc big box starting pdb file preparation:'),0 ,WACV)4996 #mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' fullrmc big box starting pdb file preparation:'),0) 4998 4997 if not data['RMC']['fullrmc']: 4999 4998 Atypes = [atype.split('+')[0].split('-')[0] for atype in data['General']['AtomTypes']] … … 5095 5094 coloff = 1 5096 5095 angleSizer.Add(wx.StaticText(G2frame.FRMC,label=fxcnLabels1[i]), 5097 5096 (0,i-coloff),(1,cspan)) 5098 5097 if fxcnLabels2[i]: 5099 5098 angleSizer.Add(wx.StaticText(G2frame.FRMC,wx.ID_ANY, 5100 label=fxcnLabels2[i],style=wx.CENTER), 5101 (1,i)) 5099 label=fxcnLabels2[i],style=wx.CENTER),(1,i)) 5102 5100 row = 1 5103 5101 for ifx,angle in enumerate(RMCPdict['Angles']): … … 5198 5196 #lineSizer.Add(G2G.G2CheckBox(G2frame.FRMC,'Impose periodic boundaries',RMCPdict,'periodicBound'), 5199 5197 # 0,WACV) 5200 mainSizer.Add(lineSizer,0 ,WACV)5198 mainSizer.Add(lineSizer,0) 5201 5199 if ifBox: 5202 5200 molecSizer = wx.BoxSizer(wx.HORIZONTAL) … … 5209 5207 molecSizer.Add(wx.StaticText(G2frame.FRMC,label=' max tries '),0,WACV) 5210 5208 molecSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict,'maxRecursion',xmin=1000,xmax=1000000,size=[60,25]),0,WACV) 5211 mainSizer.Add(molecSizer,0 ,WACV)5209 mainSizer.Add(molecSizer,0) 5212 5210 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5213 5211 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' fullrmc run file preparation:'),0,WACV) … … 5219 5217 resLine.Add(wx.StaticText(G2frame.FRMC,label=' 10,000X Computation cycles: '),0,WACV) 5220 5218 resLine.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict,'Cycles',xmin=1,size=[60,25]),0,WACV) 5221 mainSizer.Add(resLine,0 ,WACV)5219 mainSizer.Add(resLine,0) 5222 5220 5223 5221 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5224 mainSizer.Add(GetAtmChoice(RMCPdict),0 ,WACV)5222 mainSizer.Add(GetAtmChoice(RMCPdict),0) 5225 5223 5226 5224 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5230 5228 swapAdd.Bind(wx.EVT_BUTTON,OnAddSwap) 5231 5229 swapBox.Add(swapAdd,0,WACV) 5232 mainSizer.Add(swapBox,0 ,WACV)5230 mainSizer.Add(swapBox,0) 5233 5231 if len(RMCPdict['Swaps']): 5234 mainSizer.Add(GetSwapSizer(RMCPdict),0 ,WACV)5232 mainSizer.Add(GetSwapSizer(RMCPdict),0) 5235 5233 5236 5234 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5237 mainSizer.Add(wx.StaticText(G2frame.FRMC,label='Geometry constraints && restraints'),0 ,WACV)5235 mainSizer.Add(wx.StaticText(G2frame.FRMC,label='Geometry constraints && restraints'),0) 5238 5236 distBox = wx.BoxSizer(wx.HORIZONTAL) 5239 5237 distBox.Add(wx.StaticText(G2frame.FRMC,label=' Distance constraints, weight: :'),0,WACV) … … 5241 5239 distBox.Add(wx.StaticText(G2frame.FRMC,label=' min contact dist: '),0,WACV) 5242 5240 distBox.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict,'min Contact',xmin=0.,xmax=4.,size=(50,25)),0,WACV) 5243 mainSizer.Add(distBox,0 ,WACV)5244 mainSizer.Add(GetPairSizer(RMCPdict),0 ,WACV)5241 mainSizer.Add(distBox,0) 5242 mainSizer.Add(GetPairSizer(RMCPdict),0) 5245 5243 5246 5244 mainSizer.Add((-1,10)) … … 5252 5250 angAdd.Bind(wx.EVT_BUTTON,OnAddAngle) 5253 5251 angBox.Add(angAdd,0,WACV) 5254 mainSizer.Add(angBox,0 ,WACV)5252 mainSizer.Add(angBox,0) 5255 5253 if len(RMCPdict['Angles']): 5256 mainSizer.Add(GetAngleSizer(),0 ,WACV)5254 mainSizer.Add(GetAngleSizer(),0) 5257 5255 5258 5256 # Torsions are difficult to implement. Need to be internal to a unit cell & named with fullrmc … … 5264 5262 # torBox.Add(wx.StaticText(G2frame.FRMC,label=' A-B-C-D torsion angle restraints (intracell only), weight: '),0,WACV) 5265 5263 # torBox.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict,'Torsion Weight',xmin=0.,xmax=100.,size=(50,25)),0,WACV) 5266 # mainSizer.Add(torBox,0 ,WACV)5264 # mainSizer.Add(torBox,0) 5267 5265 # if len(RMCPdict['Torsions']): 5268 # mainSizer.Add(GetTorsionSizer(),0 ,WACV)5266 # mainSizer.Add(GetTorsionSizer(),0) 5269 5267 5270 5268 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5559 5557 Indx = {} 5560 5558 5561 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Enter metadata items:'),0 ,WACV)5562 mainSizer.Add(GetMetaSizer(),0 ,WACV)5559 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Enter metadata items:'),0) 5560 mainSizer.Add(GetMetaSizer(),0) 5563 5561 5564 5562 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5565 mainSizer.Add(GetTimeSizer(),0 ,WACV)5566 5567 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Lattice multipliers; if changed will force reset of atom positions:'),0 ,WACV)5568 mainSizer.Add(GetSuperSizer(),0 ,WACV)5569 5570 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' NB: be sure to set cations first && anions last in atom ordering'),0 ,WACV)5571 mainSizer.Add(GetAtmChoice(RMCPdict),0 ,WACV)5563 mainSizer.Add(GetTimeSizer(),0) 5564 5565 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Lattice multipliers; if changed will force reset of atom positions:'),0) 5566 mainSizer.Add(GetSuperSizer(),0) 5567 5568 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' NB: be sure to set cations first && anions last in atom ordering'),0) 5569 mainSizer.Add(GetAtmChoice(RMCPdict),0) 5572 5570 5573 5571 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5577 5575 swapBox.Add(swapAdd,0,WACV) 5578 5576 swapBox.Add(wx.StaticText(G2frame.FRMC,label=' Atom swap probabiities: '),0,WACV) 5579 mainSizer.Add(swapBox,0 ,WACV)5577 mainSizer.Add(swapBox,0) 5580 5578 if len(RMCPdict['Swaps']): 5581 mainSizer.Add(GetSwapSizer(RMCPdict),0 ,WACV)5579 mainSizer.Add(GetSwapSizer(RMCPdict),0) 5582 5580 5583 5581 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5584 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Enter constraints && restraints:'),0 ,WACV)5585 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Set minimum && maximum distances for:'),0 ,WACV)5586 mainSizer.Add(GetPairSizer(RMCPdict),0 ,WACV)5582 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Enter constraints && restraints:'),0) 5583 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Set minimum && maximum distances for:'),0) 5584 mainSizer.Add(GetPairSizer(RMCPdict),0) 5587 5585 5588 5586 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5590 5588 useBVS.SetValue(RMCPdict.get('useBVS',False)) 5591 5589 useBVS.Bind(wx.EVT_CHECKBOX,OnUseBVS) 5592 mainSizer.Add(useBVS,0 ,WACV)5590 mainSizer.Add(useBVS,0) 5593 5591 if RMCPdict.get('useBVS',False): 5594 mainSizer.Add(GetBvsSizer(),0 ,WACV)5592 mainSizer.Add(GetBvsSizer(),0) 5595 5593 5596 5594 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5600 5598 fxcnBox.Add(fxcnAdd,0,WACV) 5601 5599 fxcnBox.Add(wx.StaticText(G2frame.FRMC,label=' Fixed coordination number restraint: '),0,WACV) 5602 mainSizer.Add(fxcnBox,0 ,WACV)5600 mainSizer.Add(fxcnBox,0) 5603 5601 if len(RMCPdict['FxCN']): 5604 mainSizer.Add(GetFxcnSizer(),0 ,WACV)5602 mainSizer.Add(GetFxcnSizer(),0) 5605 5603 5606 5604 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5610 5608 avcnBox.Add(avcnAdd,0,WACV) 5611 5609 avcnBox.Add(wx.StaticText(G2frame.FRMC,label=' Average coordination number restraint: '),0,WACV) 5612 mainSizer.Add(avcnBox,0 ,WACV)5610 mainSizer.Add(avcnBox,0) 5613 5611 if len(RMCPdict['AveCN']): 5614 mainSizer.Add(GetAvcnSizer(),0 ,WACV)5612 mainSizer.Add(GetAvcnSizer(),0) 5615 5613 5616 5614 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5618 5616 pottempBox.Add(wx.StaticText(G2frame.FRMC,label=' Potential temperature (K): '),0,WACV) 5619 5617 pottempBox.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['Potentials'],'Pot. Temp.',xmin=0.,xmax=1000.,size=(50,25)),0,WACV) 5620 mainSizer.Add(pottempBox,0 ,WACV)5618 mainSizer.Add(pottempBox,0) 5621 5619 bondpotBox = wx.BoxSizer(wx.HORIZONTAL) 5622 5620 bondpotAdd = wx.Button(G2frame.FRMC,label='Add') … … 5625 5623 bondpotBox.Add(wx.StaticText(G2frame.FRMC,label=' A-B stretch potential restraints, search range (%): '),0,WACV) 5626 5624 bondpotBox.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['Potentials'],'Stretch search',xmin=0.,xmax=100.,size=(50,25)),0,WACV) 5627 mainSizer.Add(bondpotBox,0 ,WACV)5625 mainSizer.Add(bondpotBox,0) 5628 5626 if len(RMCPdict['Potentials']['Stretch']): 5629 mainSizer.Add(GetBondSizer(),0 ,WACV)5627 mainSizer.Add(GetBondSizer(),0) 5630 5628 5631 5629 angpotBox = wx.BoxSizer(wx.HORIZONTAL) … … 5635 5633 angpotBox.Add(wx.StaticText(G2frame.FRMC,label=' A-B-C angle potential restraints, search range (%): '),0,WACV) 5636 5634 angpotBox.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['Potentials'],'Angle search',xmin=0.,xmax=100.,size=(50,25)),0,WACV) 5637 mainSizer.Add(angpotBox,0 ,WACV)5635 mainSizer.Add(angpotBox,0) 5638 5636 if len(RMCPdict['Potentials']['Angles']): 5639 mainSizer.Add(GetAngleSizer(),0 ,WACV)5637 mainSizer.Add(GetAngleSizer(),0) 5640 5638 5641 5639 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5642 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Select data:'),0 ,WACV)5640 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Select data:'),0) 5643 5641 histograms = data['Histograms'] 5644 5642 histNames = list(histograms.keys()) 5645 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Select one histogram for Bragg processing:'),0 ,WACV)5643 mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Select one histogram for Bragg processing:'),0) 5646 5644 histoSizer = wx.BoxSizer(wx.HORIZONTAL) 5647 5645 histo = wx.ComboBox(G2frame.FRMC,choices=histNames,style=wx.CB_DROPDOWN|wx.TE_READONLY) … … 5651 5649 histoSizer.Add(wx.StaticText(G2frame.FRMC,label=' Weight '),0,WACV) 5652 5650 histoSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['histogram'],1,xmin=0.,xmax=10000.,size=(50,25)),0,WACV) 5653 mainSizer.Add(histoSizer,0 ,WACV)5651 mainSizer.Add(histoSizer,0) 5654 5652 5655 5653 samSizer = wx.BoxSizer(wx.HORIZONTAL) … … 5662 5660 samSizer.Add(samSize,0,WACV) 5663 5661 samSizer.Add(strain,0,WACV) 5664 mainSizer.Add(samSizer,0 ,WACV)5662 mainSizer.Add(samSizer,0) 5665 5663 5666 5664 FileSizer(RMCPdict,mainSizer) … … 6720 6718 6721 6719 transSizer = wx.BoxSizer(wx.VERTICAL) 6722 transSizer.Add(wx.StaticText(layerData,label=' Layer-Layer transition probabilities: '),0 ,WACV)6720 transSizer.Add(wx.StaticText(layerData,label=' Layer-Layer transition probabilities: '),0) 6723 6721 topSizer = wx.BoxSizer(wx.HORIZONTAL) 6724 6722 normprob = wx.CheckBox(layerData,label=' Normalize probabilities?') … … 6729 6727 symprob.Bind(wx.EVT_CHECKBOX,OnSymProb) 6730 6728 topSizer.Add(symprob,0,WACV) 6731 transSizer.Add(topSizer,0 ,WACV)6729 transSizer.Add(topSizer,0) 6732 6730 Names = [layer['Name'] for layer in Layers['Layers']] 6733 6731 transArray = Layers['Transitions'] … … 6737 6735 diagSum = 0. 6738 6736 for Yi,Yname in enumerate(Names): 6739 transSizer.Add(wx.StaticText(layerData,label=' From %s to:'%(Yname)),0 ,WACV)6737 transSizer.Add(wx.StaticText(layerData,label=' From %s to:'%(Yname)),0) 6740 6738 table = [] 6741 6739 rowLabels = [] … … 6764 6762 totalFault = wx.StaticText(layerData, 6765 6763 label=' Total fault density = %.3f'%(1.-diagSum)) 6766 transSizer.Add(totalFault,0 ,WACV)6764 transSizer.Add(totalFault,0) 6767 6765 return transSizer 6768 6766 … … 6786 6784 for name in Names: 6787 6785 Str += name 6788 plotSizer.Add(wx.StaticText(layerData,label=Str[:-1]),0 ,WACV)6786 plotSizer.Add(wx.StaticText(layerData,label=Str[:-1]),0) 6789 6787 lineSizer = wx.BoxSizer(wx.HORIZONTAL) 6790 6788 lineSizer.Add(wx.StaticText(layerData,label=' Enter sequence of layers to plot:'),0,WACV) … … 6794 6792 plotSeq.Bind(wx.EVT_KILL_FOCUS,OnPlotSeq) 6795 6793 lineSizer.Add(plotSeq,0,WACV) 6796 plotSizer.Add(lineSizer,0 ,WACV)6794 plotSizer.Add(lineSizer,0) 6797 6795 return plotSizer 6798 6796 … … 6884 6882 6885 6883 stackSizer = wx.BoxSizer(wx.VERTICAL) 6886 stackSizer.Add(wx.StaticText(layerData,label=' Layer stacking parameters:'),0 ,WACV)6884 stackSizer.Add(wx.StaticText(layerData,label=' Layer stacking parameters:'),0) 6887 6885 if not Layers['Stacking']: 6888 6886 Layers['Stacking'] = ['recursive','infinite',''] … … 6908 6906 topLine.Add(seqType,0,WACV) 6909 6907 if Layers['Stacking'][1] == 'list': 6910 stackSizer.Add(topLine,0 ,WACV)6908 stackSizer.Add(topLine,0) 6911 6909 Names = [' %s: %d,'%(layer['Name'],iL+1) for iL,layer in enumerate(Layers['Layers'])] 6912 stackSizer.Add(wx.StaticText(layerData,label=' Explicit layer sequence; enter space delimited list of numbers:'),0 ,WACV)6910 stackSizer.Add(wx.StaticText(layerData,label=' Explicit layer sequence; enter space delimited list of numbers:'),0) 6913 6911 Str = ' Use sequence nos. from:' 6914 6912 for name in Names: 6915 6913 Str += name 6916 stackSizer.Add(wx.StaticText(layerData,label=Str[:-1]+' Repeat sequences can be used: e.g. 6*(1 2) '),0 ,WACV)6917 stackSizer.Add(wx.StaticText(layerData,label=' Zero probability sequences not allowed'),0 ,WACV)6914 stackSizer.Add(wx.StaticText(layerData,label=Str[:-1]+' Repeat sequences can be used: e.g. 6*(1 2) '),0) 6915 stackSizer.Add(wx.StaticText(layerData,label=' Zero probability sequences not allowed'),0) 6918 6916 stackList = wx.TextCtrl(layerData,value=Layers['Stacking'][2],size=(600,-1), 6919 6917 style=wx.TE_MULTILINE|wx.TE_PROCESS_ENTER) 6920 6918 stackList.Bind(wx.EVT_TEXT_ENTER,OnStackList) 6921 6919 stackList.Bind(wx.EVT_KILL_FOCUS,OnStackList) 6922 stackSizer.Add(stackList,0,wx.ALL|wx.EXPAND |WACV,8)6920 stackSizer.Add(stackList,0,wx.ALL|wx.EXPAND,8) 6923 6921 else: #random 6924 6922 topLine.Add(wx.StaticText(layerData,label=' Length of random sequence: '),0,WACV) … … 6928 6926 numRan.Bind(wx.EVT_KILL_FOCUS,OnNumRan) 6929 6927 topLine.Add(numRan,0,WACV) 6930 stackSizer.Add(topLine,0 ,WACV)6928 stackSizer.Add(topLine,0) 6931 6929 return stackSizer 6932 6930 … … 6964 6962 toler = G2G.ValidatedTxtCtrl(layerData,Layers,'Toler',nDig=(10,3)) 6965 6963 laueSizer.Add(toler,0,WACV) 6966 topSizer.Add(laueSizer,0 ,WACV)6967 topSizer.Add(wx.StaticText(layerData,label=' Reference unit cell for all layers:'),0 ,WACV)6968 topSizer.Add(CellSizer(),0 ,WACV)6964 topSizer.Add(laueSizer,0) 6965 topSizer.Add(wx.StaticText(layerData,label=' Reference unit cell for all layers:'),0) 6966 topSizer.Add(CellSizer(),0) 6969 6967 topSizer.Add(WidthSizer()) 6970 topSizer.Add(wx.StaticText(layerData,label=' NB: stacking fault refinement currently not available'),0 ,WACV)6968 topSizer.Add(wx.StaticText(layerData,label=' NB: stacking fault refinement currently not available'),0) 6971 6969 G2G.HorizontalLine(topSizer,layerData) 6972 6970 titleSizer = wx.BoxSizer(wx.HORIZONTAL) … … 6981 6979 deleteLast.Bind(wx.EVT_BUTTON, OnDeleteLast) 6982 6980 titleSizer.Add(deleteLast,0,WACV) 6983 topSizer.Add(titleSizer,0 ,WACV)6981 topSizer.Add(titleSizer,0) 6984 6982 for il,layer in enumerate(Layers['Layers']): 6985 6983 topSizer.Add(LayerSizer(il,layer)) … … 6988 6986 bottomSizer.Add(TransSizer()) 6989 6987 G2G.HorizontalLine(bottomSizer,layerData) 6990 bottomSizer.Add(PlotSizer(),0 ,WACV)6988 bottomSizer.Add(PlotSizer(),0) 6991 6989 G2G.HorizontalLine(bottomSizer,layerData) 6992 6990 bottomSizer.Add(StackSizer()) … … 7392 7390 names = Names 7393 7391 Waves = wx.FlexGridSizer(0,8,5,5) 7394 waveSizer.Add(wx.StaticText(waveData,label=' %s parameters: %s'%(waveName,str(names).rstrip(']').lstrip('[').replace("'",''))),0 ,WACV)7392 waveSizer.Add(wx.StaticText(waveData,label=' %s parameters: %s'%(waveName,str(names).rstrip(']').lstrip('[').replace("'",''))),0) 7395 7393 for ival in range(nterm): 7396 7394 val = wave[0][ival] … … 7445 7443 style=wx.CB_READONLY|wx.CB_DROPDOWN) 7446 7444 atms.Bind(wx.EVT_COMBOBOX,OnAtmSel) 7447 topSizer.Add(atms,0 ,WACV)7448 mainSizer.Add(topSizer,0 ,WACV)7445 topSizer.Add(atms,0) 7446 mainSizer.Add(topSizer,0) 7449 7447 G2frame.bottomSizer = ShowAtomInfo() 7450 7448 mainSizer.Add(G2frame.bottomSizer) … … 8179 8177 dlg.CenterOnParent() 8180 8178 mainSizer = wx.BoxSizer(wx.VERTICAL) 8181 mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Molecular completion parameters'),0 ,WACV)8182 mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Pause after: '),0 ,WACV)8179 mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Molecular completion parameters'),0) 8180 mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Pause after: '),0) 8183 8181 topSizer = wx.BoxSizer(wx.HORIZONTAL) 8184 8182 topSizer.Add((45,-1)) … … 8188 8186 [str(i) for i in choices],choices)) 8189 8187 topSizer.Add(wx.StaticText(dlg,wx.ID_ANY,' repetitions'),0,WACV) 8190 mainSizer.Add(topSizer,0 ,WACV)8188 mainSizer.Add(topSizer,0) 8191 8189 topSizer = wx.BoxSizer(wx.HORIZONTAL) 8192 8190 topSizer.Add((45,-1)) … … 8195 8193 [str(i) for i in choices],choices)) 8196 8194 topSizer.Add(wx.StaticText(dlg,wx.ID_ANY,' added atoms'),0,WACV) 8197 mainSizer.Add(topSizer,0 ,WACV)8198 mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Atom types to add:'),0 ,WACV)8195 mainSizer.Add(topSizer,0) 8196 mainSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Atom types to add:'),0) 8199 8197 atSizer = wx.BoxSizer(wx.HORIZONTAL) 8200 8198 for i,item in enumerate(atomTypes): … … 8202 8200 atm = G2G.G2CheckBox(dlg,item,params,item) 8203 8201 atSizer.Add(atm,0,WACV) 8204 mainSizer.Add(atSizer,0 ,WACV)8202 mainSizer.Add(atSizer,0) 8205 8203 8206 8204 OkBtn = wx.Button(dlg,-1,"Ok") … … 8977 8975 showMap.Bind(wx.EVT_CHECKBOX, OnShowMap) 8978 8976 showMap.SetValue(drawingData['showMap']) 8979 mapSizer.Add(showMap,0 ,WACV)8977 mapSizer.Add(showMap,0) 8980 8978 mapSizer.Add(G2G.G2SliderWidget(drawOptions,drawingData,'contourLevel', 8981 8979 'Max relative to rho max ({:.2f}): '.format(generalData['Map']['rhoMax']), … … 8987 8985 lineSizer.Add(wx.StaticText(drawOptions,wx.ID_ANY,'On map peak selection: '),0,WACV) 8988 8986 lineSizer.Add(G2G.G2CheckBox(drawOptions,'Move view point',drawingData,'peakMoveView')) 8989 mapSizer.Add(lineSizer,0 ,WACV)8987 mapSizer.Add(lineSizer,0) 8990 8988 mapSizer.Add(DistanceSettingSizer(drawingData, 8991 8989 'PeakDistRadius','atomsExpandRadius','atomsDistRadius'),0,wx.LEFT,20) … … 9480 9478 popLA.Bind(wx.EVT_BUTTON, OnCSV) 9481 9479 PTSizer.Add(popLA,0,WACV) 9482 mainSizer.Add(PTSizer,0 ,WACV)9480 mainSizer.Add(PTSizer,0) 9483 9481 mainSizer.Add((0,5),0) 9484 9482 if textureData['SHShow']: … … 9495 9493 mainSizer.Add((0,5),0) 9496 9494 mainSizer.Add((0,5),0) 9497 mainSizer.Add(wx.StaticText(Texture,-1,' Sample orientation angle zeros: '),0 ,WACV)9495 mainSizer.Add(wx.StaticText(Texture,-1,' Sample orientation angle zeros: '),0) 9498 9496 mainSizer.Add((0,5),0) 9499 9497 angSizer = wx.BoxSizer(wx.HORIZONTAL) … … 9507 9505 angVal = G2G.ValidatedTxtCtrl(Texture,textureData[item],1,nDig=(8,2)) 9508 9506 angSizer.Add(angVal,0,WACV|wx.LEFT,5) 9509 mainSizer.Add(angSizer,0, WACV|wx.LEFT,5)9510 # mainSizer.Add(SHPenalty(textureData['Penalty']),0, WACV|wx.LEFT,5) for future9507 mainSizer.Add(angSizer,0,wx.LEFT,5) 9508 # mainSizer.Add(SHPenalty(textureData['Penalty']),0,wx.LEFT,5) for future 9511 9509 SetPhaseWindow(Texture,mainSizer) 9512 9510 … … 10034 10032 resrbSizer.Add(topLine) 10035 10033 resrbSizer.Add(LocationSizer(RBObj,'Residue')) 10036 resrbSizer.Add(wx.StaticText(RigidBodies,-1,'Torsions:'),0 ,WACV)10034 resrbSizer.Add(wx.StaticText(RigidBodies,-1,'Torsions:'),0) 10037 10035 torSizer = wx.FlexGridSizer(0,6,5,5) 10038 10036 for itors,tors in enumerate(RBObj['Torsions']): … … 10151 10149 nobody = False 10152 10150 mainSizer.Add((5,5),0) 10153 mainSizer.Add(wx.StaticText(RigidBodies,-1,'Residue rigid bodies:'),0 ,WACV)10151 mainSizer.Add(wx.StaticText(RigidBodies,-1,'Residue rigid bodies:'),0) 10154 10152 mainSizer.Add((5,5),0) 10155 10153 RBnames = [] … … 10165 10163 select.SetFirstItem(RBnames.index(rbName)) 10166 10164 select.Bind(wx.EVT_LISTBOX,OnSelect) 10167 mainSizer.Add(select,0 ,WACV)10165 mainSizer.Add(select,0) 10168 10166 G2frame.bottomSizer = wx.BoxSizer(wx.VERTICAL) 10169 10167 G2frame.bottomSizer.Add(ResrbSizer(rbObj)) … … 10187 10185 else: 10188 10186 msg = 'No rigid bodies defined in phase. Use "Edit Body"/"Locate & Insert..."\ncommand to add them.' 10189 mainSizer.Add(wx.StaticText(RigidBodies,-1,msg),0 ,WACV)10187 mainSizer.Add(wx.StaticText(RigidBodies,-1,msg),0) 10190 10188 mainSizer.Add((5,5),0) 10191 10189 SetPhaseWindow(RigidBodies,mainSizer) … … 10430 10428 ''' 10431 10429 Q = G2mth.AVdeg2Q(rbObj['OrientVec'][0], 10432 10430 np.inner(Amat,rbObj['OrientVec'][1:])) 10433 10431 rbObj['Orient'][0] = Q 10434 10432 for i,sizer in enumerate(G2frame.testRBObjSizers['Osizers']): … … 10635 10633 OriSizer.Add(wx.StaticText(RigidBodies,wx.ID_ANY,lbl[ix]),0,WACV,4) 10636 10634 origX = G2G.ValidatedTxtCtrl(RigidBodies,rbObj['Orig'][0],ix,nDig=(10,5), 10637 xmin=-1.5,xmax=1.5,typeHint=float, 10638 OnLeave=UpdateTablePlot) 10635 xmin=-1.5,xmax=1.5,typeHint=float,OnLeave=UpdateTablePlot) 10639 10636 OriSizer.Add(origX,0,WACV) 10640 10637 Xsizers.append(origX) … … 10668 10665 OrientVecSiz = [] 10669 10666 OrientVecSiz.append(G2G.ValidatedTxtCtrl(RigidBodies,rbObj['OrientVec'],0,nDig=(10,2), 10670 xmin=0.,xmax=360.,typeHint=float, 10671 OnLeave=UpdateOrientation)) 10667 xmin=0.,xmax=360.,typeHint=float,OnLeave=UpdateOrientation)) 10672 10668 OriSizer.Add(OrientVecSiz[-1],0,WACV) 10673 10669 azSlide = wx.Slider(RigidBodies,style=wx.SL_HORIZONTAL) … … 10675 10671 azSlide.SetValue(int(rbObj['OrientVec'][0]*10.)) 10676 10672 azSlide.Bind(wx.EVT_SLIDER, OnAzSlide) 10677 OriSizer.Add(azSlide,1 )10673 OriSizer.Add(azSlide,1,WACV) 10678 10674 mainSizer.Add(OriSizer) 10679 10675 OriSizer = wx.BoxSizer(wx.HORIZONTAL) … … 10682 10678 OriSizer.Add(wx.StaticText(RigidBodies,wx.ID_ANY,' '+lbl+': '),0,WACV) 10683 10679 OrientVecSiz.append(G2G.ValidatedTxtCtrl(RigidBodies,rbObj['OrientVec'],ix+1,nDig=(10,4), 10684 xmin=-1.,xmax=1.,typeHint=float, 10685 OnLeave=UpdateOrientation)) 10680 xmin=-1.,xmax=1.,typeHint=float,OnLeave=UpdateOrientation)) 10686 10681 OriSizer.Add(OrientVecSiz[-1],0,WACV) 10687 10682 OrientVecSiz.append(azSlide) … … 10717 10712 mainSizer.Add(TorSizer,0,wx.EXPAND|wx.RIGHT) 10718 10713 else: 10719 mainSizer.Add(wx.StaticText(RigidBodies,wx.ID_ANY,'No side chain torsions'),0 ,WACV)10714 mainSizer.Add(wx.StaticText(RigidBodies,wx.ID_ANY,'No side chain torsions'),0) 10720 10715 if not matchTable: # not sure if this will ever be true 10721 10716 OkBtn = None 10722 10717 mainSizer.Add((15,15)) 10723 10718 mainSizer.Add(wx.StaticText(RigidBodies,wx.ID_ANY, 10724 'Error: unable to match atoms in rigid body to structure (see console window)'), 10725 0,WACV) 10719 'Error: unable to match atoms in rigid body to structure (see console window)'),0) 10726 10720 else: 10727 10721 OkBtn = wx.Button(RigidBodies,wx.ID_ANY,"Add") … … 10789 10783 hSizer.Add(wx.StaticText(RigidBodies,wx.ID_ANY,'Crystal Highlight: ')) 10790 10784 data['testRBObj']['showSelect'] = G2G.G2ChoiceButton(RigidBodies, 10791 data['testRBObj']['availAtoms'], 10792 None,None,showAtom,0,showCryAtom, 10793 size=(75,-1)) 10785 data['testRBObj']['availAtoms'],None,None,showAtom,0,showCryAtom,size=(75,-1)) 10794 10786 hSizer.Add(data['testRBObj']['showSelect']) 10795 10787 btnSizer.Add(hSizer) 10796 10788 btnSizer.Add((-1,20)) 10797 btnSizer.Add( 10798 wx.StaticText(RigidBodies,wx.ID_ANY,'Actions with assigned\natom(s)...'), 10799 0,wx.ALL) 10789 btnSizer.Add(wx.StaticText(RigidBodies,wx.ID_ANY,'Actions with assigned\natom(s)...'),0,wx.ALL) 10800 10790 btnSizer.Add((-1,10)) 10801 10791 btn = wx.Button(RigidBodies, wx.ID_ANY, 'Process Assignments') … … 11226 11216 rbsizer = wx.BoxSizer(wx.VERTICAL) 11227 11217 rbsizer1 = wx.FlexGridSizer(0,7,5,5) 11228 rbsizer1.Add(wx.StaticText(G2frame.MCSA,-1,model['Type']+': '+model['name']+': '),0 ,WACV)11218 rbsizer1.Add(wx.StaticText(G2frame.MCSA,-1,model['Type']+': '+model['name']+': '),0) 11229 11219 for ix,item in enumerate(['x','y','z']): 11230 11220 posRef = wx.CheckBox(G2frame.MCSA,-1,label=item+': ') … … 11295 11285 try: 11296 11286 atNames = RBData['Residue'][model['RBId']]['atNames'] 11297 rbsizer.Add(wx.StaticText(G2frame.MCSA,-1,'Torsions:'),0 ,WACV)11287 rbsizer.Add(wx.StaticText(G2frame.MCSA,-1,'Torsions:'),0) 11298 11288 rbsizer3 = wx.FlexGridSizer(0,8,5,5) 11299 11289 for it,tor in enumerate(model['Tor'][0]): … … 11464 11454 if not data['MCSA']['Models']: 11465 11455 mainSizer.Add((5,5),0) 11466 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'No MC/SA models:'),0 ,WACV)11456 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'No MC/SA models:'),0) 11467 11457 mainSizer.Add((5,5),0) 11468 11458 else: 11469 11459 mainSizer.Add((5,5),0) 11470 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'MC/SA models:'),0 ,WACV)11460 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'MC/SA models:'),0) 11471 11461 mainSizer.Add((5,5),0) 11472 11462 rbNames = [] … … 11488 11478 select.SetFirstItem(rbNames.index(rbName)) 11489 11479 select.Bind(wx.EVT_LISTBOX,OnSelect) 11490 mainSizer.Add(select,0 ,WACV)11480 mainSizer.Add(select,0) 11491 11481 G2frame.bottomSizer = wx.BoxSizer(wx.VERTICAL) 11492 11482 G2frame.bottomSizer.Add(rbSizer(data['MCSA']['Models'][rbids[0]])) … … 11495 11485 if not data['MCSA']['Results']: 11496 11486 mainSizer.Add((5,5),0) 11497 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'No MC/SA results:'),0 ,WACV)11487 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'No MC/SA results:'),0) 11498 11488 mainSizer.Add((5,5),0) 11499 11489 else: 11500 11490 mainSizer.Add((5,5),0) 11501 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'MC/SA results:'),0 ,WACV)11491 mainSizer.Add(wx.StaticText(G2frame.MCSA,-1,'MC/SA results:'),0) 11502 11492 mainSizer.Add((5,5),0) 11503 11493 Results = data['MCSA']['Results'] -
trunk/GSASIIpwdGUI.py
r4581 r4594 186 186 magDisplay.Bind(wg.EVT_GRID_CELL_LEFT_CLICK,RefreshGrid) 187 187 magDisplay.AutoSizeColumns(False) 188 mainSizer.Add(magDisplay,0 ,WACV)188 mainSizer.Add(magDisplay,0) 189 189 190 190 OkBtn = wx.Button(self.panel,-1,"Ok") … … 227 227 self.panel = wx.Panel(self) 228 228 mainSizer = wx.BoxSizer(wx.VERTICAL) 229 mainSizer.Add(wx.StaticText(self.panel,label='Background RDF controls:'),0 ,WACV)229 mainSizer.Add(wx.StaticText(self.panel,label='Background RDF controls:'),0) 230 230 plotType = wx.BoxSizer(wx.HORIZONTAL) 231 231 plotType.Add(wx.StaticText(self.panel,label=' Select plot type:'),0,WACV) … … 236 236 useOC.Bind(wx.EVT_COMBOBOX,OnUseOC) 237 237 plotType.Add(useOC,0,WACV) 238 mainSizer.Add(plotType,0 ,WACV)238 mainSizer.Add(plotType,0) 239 239 dataSizer = wx.BoxSizer(wx.HORIZONTAL) 240 240 dataSizer.Add(wx.StaticText(self.panel,label=' Smoothing type: '),0,WACV) … … 248 248 typeHint=float) 249 249 dataSizer.Add(maxR,0,WACV) 250 mainSizer.Add(dataSizer,0 ,WACV)250 mainSizer.Add(dataSizer,0) 251 251 252 252 OkBtn = wx.Button(self.panel,-1,"Ok") … … 1443 1443 topSizer.Add((5,0),0) 1444 1444 backSizer.Add(topSizer) 1445 backSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Background coefficients:'),0 ,WACV)1445 backSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Background coefficients:'),0) 1446 1446 bakSizer = wx.FlexGridSizer(0,5,5,5) 1447 1447 for i,value in enumerate(data[0][3:]): … … 1501 1501 debSizer.Add(topSizer) 1502 1502 if data[1]['nDebye']: 1503 debSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Debye diffuse terms:'),0 ,WACV)1503 debSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Debye diffuse terms:'),0) 1504 1504 rowLabels = [] 1505 1505 for i in range(len(data[1]['debyeTerms'])): rowLabels.append(str(i)) … … 1580 1580 peaksGrid = None 1581 1581 if data[1]['nPeaks']: 1582 peaksSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Peak list:'),0 ,WACV)1582 peaksSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Peak list:'),0) 1583 1583 rowLabels = [] 1584 1584 for i in range(len(data[1]['peaksList'])): rowLabels.append(str(i)) … … 1624 1624 1625 1625 fileSizer = wx.BoxSizer(wx.VERTICAL) 1626 fileSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Fixed background file:'),0 ,WACV)1626 fileSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Fixed background file:'),0) 1627 1627 if 'background PWDR' not in data[1]: 1628 1628 data[1]['background PWDR'] = ['',-1.,False] … … 5274 5274 for name in data['Substances']: 5275 5275 G2G.HorizontalLine(substSizer,G2frame.dataWindow) 5276 substSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' Data for '+name+':'), 5277 0,WACV) 5276 substSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' Data for '+name+':'),0) 5278 5277 if name == 'vacuum': 5279 substSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' Not applicable'), 5280 0,WACV) 5278 substSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' Not applicable'),0) 5281 5279 elif name == 'unit scatter': 5282 substSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Scattering density,f: %.3f *10%scm%s'%(data['Substances'][name]['Scatt density'],Pwr10,Pwrm2)),0 ,WACV)5280 substSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Scattering density,f: %.3f *10%scm%s'%(data['Substances'][name]['Scatt density'],Pwr10,Pwrm2)),0) 5283 5281 else: 5284 5282 elSizer = wx.FlexGridSizer(0,8,5,5) … … 5640 5638 5641 5639 sizeSizer = wx.BoxSizer(wx.VERTICAL) 5642 sizeSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Size distribution parameters: '),0 ,WACV)5640 sizeSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Size distribution parameters: '),0) 5643 5641 binSizer = wx.FlexGridSizer(0,7,5,5) 5644 5642 binSizer.Add(wx.StaticText(G2frame.dataWindow,label=' No. size bins: '),0,WACV) … … 5757 5755 5758 5756 pairSizer = wx.BoxSizer(wx.VERTICAL) 5759 pairSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Pair distribution parameters: '),0 ,WACV)5757 pairSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Pair distribution parameters: '),0) 5760 5758 binSizer = wx.FlexGridSizer(0,6,5,5) 5761 5759 binSizer.Add(wx.StaticText(G2frame.dataWindow,label=' No. R bins: '),0,WACV) … … 5785 5783 else: 5786 5784 fitSizer.Add(wx.StaticText(G2frame.dataWindow,label=" D.I. Svergun, J. Appl. Cryst., 24, 485-492 (1991)"),0,WACV) 5787 pairSizer.Add(fitSizer,0 ,WACV)5785 pairSizer.Add(fitSizer,0) 5788 5786 if 'Moore' in data['Pair']['Method']: 5789 5787 mooreSizer = wx.BoxSizer(wx.HORIZONTAL) … … 5794 5792 mooreterms.Bind(wx.EVT_BUTTON,OnMooreTerms) 5795 5793 mooreSizer.Add(mooreterms,0,WACV) 5796 pairSizer.Add(mooreSizer,0 ,WACV)5794 pairSizer.Add(mooreSizer,0) 5797 5795 errorSizer = wx.BoxSizer(wx.HORIZONTAL) 5798 5796 errorSizer.Add(wx.StaticText(G2frame.dataWindow,label='Error method: '),0,WACV) … … 5805 5803 errorSizer.Add(percent,0,WACV) 5806 5804 errorSizer.Add(error,0,WACV) 5807 pairSizer.Add(errorSizer,0 ,WACV)5805 pairSizer.Add(errorSizer,0) 5808 5806 return pairSizer 5809 5807 … … 5842 5840 5843 5841 shapeSizer = wx.BoxSizer(wx.VERTICAL) 5844 shapeSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Shape parameters:'),0 ,WACV)5842 shapeSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Shape parameters:'),0) 5845 5843 parmSizer = wx.FlexGridSizer(0,4,5,5) 5846 5844 #1st row … … 5884 5882 5885 5883 if len(data['Pair'].get('Result',[])): 5886 shapeSizer.Add(wx.StaticText(G2frame.dataWindow,label=' SHAPES run results:'),0 ,WACV)5884 shapeSizer.Add(wx.StaticText(G2frame.dataWindow,label=' SHAPES run results:'),0) 5887 5885 Atoms,Patterns,PRcalc = data['Pair']['Result'] 5888 5886 colLabels = ['name','show beads','show shape','Rvalue','P(r) dif','Nbeads','Nshape'] … … 5904 5902 ShapesResult.SetReadOnly(r,c,isReadOnly=True) 5905 5903 5906 shapeSizer.Add(ShapesResult,0 ,WACV)5904 shapeSizer.Add(ShapesResult,0) 5907 5905 return shapeSizer 5908 5906 … … 6494 6492 resol.Add(wx.StaticText(G2frame.dataWindow,label=' (FWHM %): '),0,WACV) 6495 6493 resol.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data['Resolution'],0,nDig=(10,3),xmin=0.,xmax=5.,OnLeave=NewRes),0,WACV) 6496 controlSizer.Add(resol,0 ,WACV)6494 controlSizer.Add(resol,0) 6497 6495 minimiz = wx.BoxSizer(wx.HORIZONTAL) 6498 6496 minimiz.Add(wx.StaticText(G2frame.dataWindow,label=' Minimizer: '),0,WACV) … … 6508 6506 weight.Bind(wx.EVT_CHECKBOX, OnWeight) 6509 6507 minimiz.Add(weight,0,WACV) 6510 controlSizer.Add(minimiz,0 ,WACV)6508 controlSizer.Add(minimiz,0) 6511 6509 plotSizer = wx.BoxSizer(wx.HORIZONTAL) 6512 6510 plotSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Plot controls: '),0,WACV) … … 6523 6521 # q4fft.Bind(wx.EVT_CHECKBOX, OnQ4fftplot) 6524 6522 # plotSizer.Add(q4fft,0,WACV) 6525 controlSizer.Add(plotSizer,0 ,WACV)6523 controlSizer.Add(plotSizer,0) 6526 6524 return controlSizer 6527 6525 … … 6618 6616 for ilay,layer in enumerate(data['Layers']): 6619 6617 if not ilay: 6620 layerSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Top layer (superphase):'),0 ,WACV)6618 layerSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Top layer (superphase):'),0) 6621 6619 elif ilay < len(data['Layers'])-1: 6622 layerSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Layer no. %d'%(ilay)),0 ,WACV)6620 layerSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Layer no. %d'%(ilay)),0) 6623 6621 else: 6624 layerSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Bottom layer (substrate):'),0 ,WACV)6622 layerSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Bottom layer (substrate):'),0) 6625 6623 midlayer = wx.BoxSizer(wx.HORIZONTAL) 6626 6624 midlayer.Add(wx.StaticText(G2frame.dataWindow,label=' Substance: '),0,WACV) … … 6975 6973 6976 6974 PDFfileSizer = wx.BoxSizer(wx.VERTICAL) 6977 PDFfileSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' PDF data files: '),0 ,WACV)6975 PDFfileSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' PDF data files: '),0) 6978 6976 PDFfileSizer.Add((5,5),0) 6979 6977 if 'C' in inst['Type'][0]: 6980 6978 str = ' Sample file: PWDR%s Wavelength, A: %.5f Energy, keV: %.3f Polariz.: %.2f '%(dataFile[4:],wave,keV,polariz) 6981 PDFfileSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=str),0 ,WACV)6979 PDFfileSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=str),0) 6982 6980 PDFfileSizer.Add((5,5),0) 6983 6981 fileSizer = wx.FlexGridSizer(0,5,5,1) … … 7022 7020 sampleSizer = wx.BoxSizer(wx.VERTICAL) 7023 7021 if not ElList: 7024 sampleSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Sample information: fill in this 1st'),0 ,WACV)7022 sampleSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Sample information: fill in this 1st'),0) 7025 7023 else: 7026 sampleSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Sample information: '),0 ,WACV)7024 sampleSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Sample information: '),0) 7027 7025 sampleSizer.Add((5,5),0) 7028 7026 Abs = G2lat.CellAbsorption(ElList,data['Form Vol']) … … 7624 7622 7625 7623 peakBox = wx.BoxSizer(wx.VERTICAL) 7626 peakBox.Add(wx.StaticText(G2frame.dataWindow,label=' PDF Peaks:'),0 ,WACV)7627 peakBox.Add(PDFPeaks,0 ,WACV)7624 peakBox.Add(wx.StaticText(G2frame.dataWindow,label=' PDF Peaks:'),0) 7625 peakBox.Add(PDFPeaks,0) 7628 7626 7629 7627 return peakBox -
trunk/GSASIIrestrGUI.py
r4426 r4594 961 961 mainSizer = wx.BoxSizer(wx.VERTICAL) 962 962 mainSizer.Add((5,5),0) 963 mainSizer.Add(WtBox(BondRestr,bondRestData),0 ,WACV)963 mainSizer.Add(WtBox(BondRestr,bondRestData),0) 964 964 965 965 bondList = bondRestData['Bonds'] … … 1025 1025 mainSizer.Add(wx.StaticText(BondRestr,-1, 1026 1026 'Bond restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1027 %(chisq,chisq/len(bondList))),0 ,WACV)1027 %(chisq,chisq/len(bondList))),0) 1028 1028 Bonds.SetScrollRate(10,10) 1029 1029 Bonds.SetMinSize((-1,300)) … … 1093 1093 mainSizer = wx.BoxSizer(wx.VERTICAL) 1094 1094 mainSizer.Add((5,5),0) 1095 mainSizer.Add(WtBox(AngleRestr,angleRestData),0 ,WACV)1095 mainSizer.Add(WtBox(AngleRestr,angleRestData),0) 1096 1096 1097 1097 angleList = angleRestData['Angles'] … … 1157 1157 mainSizer.Add(wx.StaticText(AngleRestr,-1, 1158 1158 'Angle restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1159 %(chisq,chisq/len(angleList))),0 ,WACV)1159 %(chisq,chisq/len(angleList))),0) 1160 1160 Angles.SetScrollRate(10,10) 1161 1161 Angles.SetMinSize((-1,300)) … … 1215 1215 mainSizer = wx.BoxSizer(wx.VERTICAL) 1216 1216 mainSizer.Add((5,5),0) 1217 mainSizer.Add(WtBox(PlaneRestr,planeRestData),0 ,WACV)1217 mainSizer.Add(WtBox(PlaneRestr,planeRestData),0) 1218 1218 1219 1219 planeList = planeRestData['Planes'] … … 1284 1284 mainSizer.Add(wx.StaticText(PlaneRestr,-1, 1285 1285 'Plane restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1286 %(chisq,chisq/len(planeList))),0 ,WACV)1286 %(chisq,chisq/len(planeList))),0) 1287 1287 Planes.SetScrollRate(10,10) 1288 1288 Planes.SetMinSize((-1,300)) … … 1351 1351 mainSizer = wx.BoxSizer(wx.VERTICAL) 1352 1352 mainSizer.Add((5,5),0) 1353 mainSizer.Add(WtBox(ChiralRestr,chiralRestData),0 ,WACV)1353 mainSizer.Add(WtBox(ChiralRestr,chiralRestData),0) 1354 1354 1355 1355 volumeList = chiralRestData['Volumes'] … … 1414 1414 mainSizer.Add(wx.StaticText(ChiralRestr,-1, 1415 1415 'Chiral volume restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1416 %(chisq,chisq/len(volumeList))),0 ,WACV)1416 %(chisq,chisq/len(volumeList))),0) 1417 1417 Volumes.SetScrollRate(10,10) 1418 1418 Volumes.SetMinSize((-1,300)) … … 1487 1487 mainSizer = wx.BoxSizer(wx.VERTICAL) 1488 1488 mainSizer.Add((5,5),0) 1489 mainSizer.Add(WtBox(TorsionRestr,torsionRestData),0 ,WACV)1489 mainSizer.Add(WtBox(TorsionRestr,torsionRestData),0) 1490 1490 1491 1491 coeffDict = torsionRestData['Coeff'] … … 1493 1493 if len(coeffDict): 1494 1494 mainSizer.Add((5,5)) 1495 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion function coefficients:'),0 ,WACV)1495 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion function coefficients:'),0) 1496 1496 mainSizer.Add(coeffSizer(),1,wx.EXPAND,1) 1497 1497 1498 1498 if len(torsionList): 1499 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion restraints:'),0 ,WACV)1499 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion restraints:'),0) 1500 1500 table = [] 1501 1501 rowLabels = [] … … 1541 1541 mainSizer.Add(wx.StaticText(TorsionRestr,-1, 1542 1542 'Torsion restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1543 %(chisq,chisq/len(torsionList))),0 ,WACV)1543 %(chisq,chisq/len(torsionList))),0) 1544 1544 TorsionRestr.Torsions.SetScrollRate(10,10) 1545 1545 TorsionRestr.Torsions.SetMinSize((-1,300)) … … 1614 1614 mainSizer = wx.BoxSizer(wx.VERTICAL) 1615 1615 mainSizer.Add((5,5),0) 1616 mainSizer.Add(WtBox(RamaRestr,ramaRestData),0 ,WACV)1616 mainSizer.Add(WtBox(RamaRestr,ramaRestData),0) 1617 1617 ramaList = ramaRestData['Ramas'] 1618 1618 coeffDict = ramaRestData['Coeff'] 1619 1619 if len(coeffDict): 1620 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran function coefficients:'),0 ,WACV)1620 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran function coefficients:'),0) 1621 1621 mainSizer.Add(coeffSizer(),1,wx.EXPAND,1) 1622 1622 1623 1623 if len(ramaList): 1624 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran restraints:'),0 ,WACV)1624 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran restraints:'),0) 1625 1625 table = [] 1626 1626 rowLabels = [] … … 1667 1667 mainSizer.Add(wx.StaticText(RamaRestr,-1, 1668 1668 'Ramachandran restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1669 %(chisq,chisq/len(ramaList))),0 ,WACV)1669 %(chisq,chisq/len(ramaList))),0) 1670 1670 RamaRestr.Ramas.SetScrollRate(10,10) 1671 1671 RamaRestr.Ramas.SetMinSize((-1,300)) … … 1734 1734 mainSizer = wx.BoxSizer(wx.VERTICAL) 1735 1735 mainSizer.Add((5,5),0) 1736 mainSizer.Add(WtBox(ChemCompRestr,chemcompRestData),0 ,WACV)1736 mainSizer.Add(WtBox(ChemCompRestr,chemcompRestData),0) 1737 1737 mainSizer.Add(wx.StaticText(ChemCompRestr,-1, 1738 'NB: The chemical restraint sum is over the unit cell contents'),0 ,WACV)1738 'NB: The chemical restraint sum is over the unit cell contents'),0) 1739 1739 mainSizer.Add((5,5),0) 1740 1740 … … 1842 1842 mainSizer = wx.BoxSizer(wx.VERTICAL) 1843 1843 mainSizer.Add((5,5),0) 1844 mainSizer.Add(WtBox(TextureRestr,textureRestData),0 ,WACV)1844 mainSizer.Add(WtBox(TextureRestr,textureRestData),0) 1845 1845 mainSizer.Add(wx.StaticText(TextureRestr,-1, 1846 1846 'NB: The texture restraints suppress negative pole figure values for the selected HKLs\n' 1847 ' "unit esd" gives a bias toward a flatter polefigure'),0 ,WACV)1847 ' "unit esd" gives a bias toward a flatter polefigure'),0) 1848 1848 mainSizer.Add((5,5),0) 1849 1849 -
trunk/imports/G2img_CBF.py
r4582 r4594 98 98 File.seek(0) 99 99 img = File.read()[imageBeg:imageBeg+compImageSize] 100 File.close() 100 101 nimg = len(img) 101 102 image = np.zeros(nxy,dtype=np.int32)
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