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source: trunk/GSASIIgrid.py @ 865

Last change on this file since 865 was 865, checked in by vondreele, 11 years ago
Add reference to the About GSAS-II box
Property svn:eol-style set to `native` Property svn:keywords set to `Date Author Revision URL Id`
File size: 102.3 KB

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1	# -- coding: utf-8 --
2	#GSASIIgrid - data display routines
3	########### SVN repository information ###################
4	# $Date: 2013-03-19 14:38:15 +0000 (Tue, 19 Mar 2013) $
5	# $Author: vondreele $
6	# $Revision: 865 $
7	# $URL: trunk/GSASIIgrid.py $
8	# $Id: GSASIIgrid.py 865 2013-03-19 14:38:15Z vondreele $
9	########### SVN repository information ###################
10	import wx
11	import wx.grid as wg
12	import wx.wizard as wz
13	import time
14	import cPickle
15	import sys
16	import numpy as np
17	import numpy.ma as ma
18	import os.path
19	import wx.html # could postpone this for quicker startup
20	import webbrowser # could postpone this for quicker startup
21	import GSASIIpath
22	GSASIIpath.SetVersionNumber("$Revision: 865 $")
23	import GSASIImath as G2mth
24	import GSASIIIO as G2IO
25	import GSASIIlattice as G2lat
26	import GSASIIplot as G2plt
27	import GSASIIpwdGUI as G2pdG
28	import GSASIIimgGUI as G2imG
29	import GSASIIphsGUI as G2phG
30	import GSASIIstruct as G2str
31	import GSASIIspc as G2spc
32	import GSASIImapvars as G2mv
33	import GSASIIconstrGUI as G2cnstG
34	import GSASIIrestrGUI as G2restG
35
36	# trig functions in degrees
37	sind = lambda x: np.sin(x*np.pi/180.)
38	tand = lambda x: np.tan(x*np.pi/180.)
39	cosd = lambda x: np.cos(x*np.pi/180.)
40
41	# globals we will use later
42	__version__ = None # gets overridden in GSASII.py
43	path2GSAS2 = os.path.dirname(os.path.realpath(__file__)) # save location of this file
44	helpLocDict = {}
45	htmlPanel = None
46	htmlFrame = None
47	helpMode = 'browser'
48	#if sys.platform.lower().startswith('win'): helpMode = 'internal' # need a global control to set this
49
50	htmlFirstUse = True
51
52	[ wxID_FOURCALC, wxID_FOURSEARCH, wxID_FOURCLEAR, wxID_PEAKSMOVE, wxID_PEAKSCLEAR,
53	wxID_CHARGEFLIP, wxID_PEAKSUNIQUE, wxID_PEAKSDELETE, wxID_PEAKSDA,
54	wxID_PEAKSDISTVP, wxID_PEAKSVIEWPT, wxID_FINDEQVPEAKS,wxID_SHOWBONDS,
55	] = [wx.NewId() for item in range(13)]
56
57	[ wxID_PWDRADD, wxID_HKLFADD,wxID_PWDANALYSIS,wxID_DATADELETE,
58	] = [wx.NewId() for item in range(4)]
59
60	[ wxID_ATOMSEDITADD, wxID_ATOMSEDITINSERT, wxID_ATOMSEDITDELETE, wxID_ATOMSREFINE,
61	wxID_ATOMSMODIFY, wxID_ATOMSTRANSFORM, wxID_ATOMSVIEWADD, wxID_ATOMVIEWINSERT,
62	wxID_RELOADDRAWATOMS,wxID_ATOMSDISAGL,wxID_ATOMMOVE,wxID_RBAPPEND,wxID_ATOMSREIMPORT,
63	wxID_ASSIGNATMS2RB
64	] = [wx.NewId() for item in range(14)]
65
66	[ wxID_DRAWATOMSTYLE, wxID_DRAWATOMLABEL, wxID_DRAWATOMCOLOR, wxID_DRAWATOMRESETCOLOR,
67	wxID_DRAWVIEWPOINT, wxID_DRAWTRANSFORM, wxID_DRAWDELETE, wxID_DRAWFILLCELL,
68	wxID_DRAWADDEQUIV, wxID_DRAWFILLCOORD, wxID_DRAWDISAGLTOR, wxID_DRAWPLANE,
69	wxID_DRAWDISTVP,
70	] = [wx.NewId() for item in range(13)]
71
72	[ wxID_DRAWRESTRBOND, wxID_DRAWRESTRANGLE, wxID_DRAWRESTRPLANE, wxID_DRAWRESTRCHIRAL,
73	] = [wx.NewId() for item in range(4)]
74
75	[ wxID_CLEARTEXTURE,wxID_REFINETEXTURE,
76	] = [wx.NewId() for item in range(2)]
77
78	[ wxID_PAWLEYLOAD, wxID_PAWLEYDELETE, wxID_PAWLEYESTIMATE,
79	wxID_PAWLEYUPDATE,
80	] = [wx.NewId() for item in range(4)]
81
82	[ wxID_IMCALIBRATE,wxID_IMRECALIBRATE,wxID_IMINTEGRATE, wxID_IMCLEARCALIB,
83	wxID_IMCOPYCONTROLS, wxID_INTEGRATEALL, wxID_IMSAVECONTROLS, wxID_IMLOADCONTROLS,
84	] = [wx.NewId() for item in range(8)]
85
86	[ wxID_MASKCOPY, wxID_MASKSAVE, wxID_MASKLOAD,
87	] = [wx.NewId() for item in range(3)]
88
89	[ wxID_STRSTACOPY, wxID_STRSTAFIT, wxID_STRSTASAVE, wxID_STRSTALOAD,wxID_APPENDDZERO,
90	] = [wx.NewId() for item in range(5)]
91
92	[ wxID_BACKCOPY,wxID_LIMITCOPY,wxID_SAMPLECOPY, wxID_BACKFLAGCOPY, wxID_SAMPLEFLAGCOPY,
93	wxID_SAMPLESAVE, wxID_SAMPLELOAD,
94	] = [wx.NewId() for item in range(7)]
95
96	[ wxID_INSTPRMRESET,wxID_CHANGEWAVETYPE,wxID_INSTCOPY, wxID_INSTFLAGCOPY, wxID_INSTLOAD,
97	wxID_INSTSAVE,
98	] = [wx.NewId() for item in range(6)]
99
100	[ wxID_UNDO,wxID_LSQPEAKFIT,wxID_LSQONECYCLE,wxID_RESETSIGGAM,wxID_CLEARPEAKS,wxID_AUTOSEARCH,
101	] = [wx.NewId() for item in range(6)]
102
103	[ wxID_INDXRELOAD, wxID_INDEXPEAKS, wxID_REFINECELL, wxID_COPYCELL, wxID_MAKENEWPHASE,
104	] = [wx.NewId() for item in range(5)]
105
106	[ wxID_CONSTRAINTADD,wxID_EQUIVADD,wxID_HOLDADD,wxID_FUNCTADD,
107	] = [wx.NewId() for item in range(4)]
108
109	[ wxID_RESTRAINTADD, wxID_RESTSELPHASE,wxID_RESTDELETE, wxID_RESRCHANGEVAL,
110	wxID_RESTCHANGEESD,wxID_AARESTRAINTADD,wxID_AARESTRAINTPLOT,
111	] = [wx.NewId() for item in range(7)]
112
113	[ wxID_RIGIDBODYADD,wxID_DRAWDEFINERB,wxID_RIGIDBODYIMPORT,wxID_RESIDUETORSSEQ,
114	wxID_AUTOFINDRESRB,wxID_GLOBALRESREFINE,wxID_RBREMOVEALL,wxID_COPYRBPARMS,
115	] = [wx.NewId() for item in range(8)]
116
117	[ wxID_SAVESEQSEL,
118	] = [wx.NewId() for item in range(1)]
119
120	[ wxID_SELECTPHASE,
121	] = [wx.NewId() for item in range(1)]
122
123	[ wxID_PDFCOPYCONTROLS, wxID_PDFSAVECONTROLS, wxID_PDFLOADCONTROLS,
124	wxID_PDFCOMPUTE, wxID_PDFCOMPUTEALL, wxID_PDFADDELEMENT, wxID_PDFDELELEMENT,
125	] = [wx.NewId() for item in range(7)]
126
127	VERY_LIGHT_GREY = wx.Colour(235,235,235)
128
129	################################################################################
130	#### GSAS-II class definitions
131	################################################################################
132
133	class SymOpDialog(wx.Dialog):
134	def __init__(self,parent,SGData,New=True,ForceUnit=False):
135	wx.Dialog.__init__(self,parent,-1,'Select symmetry operator',
136	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
137	panel = wx.Panel(self)
138	self.SGData = SGData
139	self.New = New
140	self.Force = ForceUnit
141	self.OpSelected = [0,0,0,[0,0,0],False,False]
142	mainSizer = wx.BoxSizer(wx.VERTICAL)
143	if ForceUnit:
144	choice = ['No','Yes']
145	self.force = wx.RadioBox(panel,-1,'Force to unit cell?',choices=choice)
146	self.force.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
147	mainSizer.Add(self.force,0,wx.ALIGN_CENTER_VERTICAL)
148	mainSizer.Add((5,5),0)
149	if SGData['SGInv']:
150	choice = ['No','Yes']
151	self.inv = wx.RadioBox(panel,-1,'Choose inversion?',choices=choice)
152	self.inv.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
153	mainSizer.Add(self.inv,0,wx.ALIGN_CENTER_VERTICAL)
154	mainSizer.Add((5,5),0)
155	if SGData['SGLatt'] != 'P':
156	LattOp = G2spc.Latt2text(SGData['SGLatt']).split(';')
157	self.latt = wx.RadioBox(panel,-1,'Choose cell centering?',choices=LattOp)
158	self.latt.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
159	mainSizer.Add(self.latt,0,wx.ALIGN_CENTER_VERTICAL)
160	mainSizer.Add((5,5),0)
161	if SGData['SGLaue'] in ['-1','2/m','mmm','4/m','4/mmm']:
162	Ncol = 2
163	else:
164	Ncol = 3
165	OpList = []
166	for M,T in SGData['SGOps']:
167	OpList.append(G2spc.MT2text(M,T))
168	self.oprs = wx.RadioBox(panel,-1,'Choose space group operator?',choices=OpList,
169	majorDimension=Ncol)
170	self.oprs.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
171	mainSizer.Add(self.oprs,0,wx.ALIGN_CENTER_VERTICAL)
172	mainSizer.Add((5,5),0)
173	mainSizer.Add(wx.StaticText(panel,-1," Choose unit cell?"),0,wx.ALIGN_CENTER_VERTICAL)
174	mainSizer.Add((5,5),0)
175	cellSizer = wx.BoxSizer(wx.HORIZONTAL)
176	cellSizer.Add((5,0),0)
177	cellName = ['X','Y','Z']
178	self.cell = []
179	for i in range(3):
180	self.cell.append(wx.SpinCtrl(panel,-1,cellName[i],size=wx.Size(50,20)))
181	self.cell[-1].SetRange(-3,3)
182	self.cell[-1].SetValue(0)
183	self.cell[-1].Bind(wx.EVT_SPINCTRL, self.OnOpSelect)
184	cellSizer.Add(self.cell[-1],0,wx.ALIGN_CENTER_VERTICAL)
185	mainSizer.Add(cellSizer,0,)
186	if self.New:
187	choice = ['No','Yes']
188	self.new = wx.RadioBox(panel,-1,'Generate new positions?',choices=choice)
189	self.new.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
190	mainSizer.Add(self.new,0,wx.ALIGN_CENTER_VERTICAL)
191	mainSizer.Add((5,5),0)
192
193	OkBtn = wx.Button(panel,-1,"Ok")
194	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
195	cancelBtn = wx.Button(panel,-1,"Cancel")
196	cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
197	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
198	btnSizer.Add((20,20),1)
199	btnSizer.Add(OkBtn)
200	btnSizer.Add((20,20),1)
201	btnSizer.Add(cancelBtn)
202	btnSizer.Add((20,20),1)
203
204	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
205	panel.SetSizer(mainSizer)
206	panel.Fit()
207	self.Fit()
208
209	def OnOpSelect(self,event):
210	if self.SGData['SGInv']:
211	self.OpSelected[0] = self.inv.GetSelection()
212	if self.SGData['SGLatt'] != 'P':
213	self.OpSelected[1] = self.latt.GetSelection()
214	self.OpSelected[2] = self.oprs.GetSelection()
215	for i in range(3):
216	self.OpSelected[3][i] = float(self.cell[i].GetValue())
217	if self.New:
218	self.OpSelected[4] = self.new.GetSelection()
219	if self.Force:
220	self.OpSelected[5] = self.force.GetSelection()
221
222	def GetSelection(self):
223	return self.OpSelected
224
225	def OnOk(self,event):
226	parent = self.GetParent()
227	parent.Raise()
228	self.EndModal(wx.ID_OK)
229
230	def OnCancel(self,event):
231	parent = self.GetParent()
232	parent.Raise()
233	self.EndModal(wx.ID_CANCEL)
234
235	class DisAglDialog(wx.Dialog):
236
237	def __default__(self,data,default):
238	if data:
239	self.data = data
240	else:
241	self.data = {}
242	self.data['Name'] = default['Name']
243	self.data['Factors'] = [0.85,0.85]
244	self.data['AtomTypes'] = default['AtomTypes']
245	self.data['BondRadii'] = default['BondRadii']
246	self.data['AngleRadii'] = default['AngleRadii']
247
248	def __init__(self,parent,data,default):
249	wx.Dialog.__init__(self,parent,-1,'Distance Angle Controls',
250	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
251	self.default = default
252	self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw!
253	self.__default__(data,self.default)
254	self.Draw(self.data)
255
256	def Draw(self,data):
257	self.panel.Destroy()
258	self.panel = wx.Panel(self)
259	mainSizer = wx.BoxSizer(wx.VERTICAL)
260	mainSizer.Add(wx.StaticText(self.panel,-1,'Controls for phase '+data['Name']),
261	0,wx.ALIGN_CENTER_VERTICAL\|wx.LEFT,10)
262	mainSizer.Add((10,10),1)
263
264	radiiSizer = wx.FlexGridSizer(2,3,5,5)
265	radiiSizer.Add(wx.StaticText(self.panel,-1,' Type'),0,wx.ALIGN_CENTER_VERTICAL)
266	radiiSizer.Add(wx.StaticText(self.panel,-1,'Bond radii'),0,wx.ALIGN_CENTER_VERTICAL)
267	radiiSizer.Add(wx.StaticText(self.panel,-1,'Angle radii'),0,wx.ALIGN_CENTER_VERTICAL)
268	self.objList = {}
269	for id,item in enumerate(self.data['AtomTypes']):
270	radiiSizer.Add(wx.StaticText(self.panel,-1,' '+item),0,wx.ALIGN_CENTER_VERTICAL)
271	bRadii = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['BondRadii'][id]),style=wx.TE_PROCESS_ENTER)
272	self.objList[bRadii.GetId()] = ['BondRadii',id]
273	bRadii.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal)
274	bRadii.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal)
275	radiiSizer.Add(bRadii,0,wx.ALIGN_CENTER_VERTICAL)
276	aRadii = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['AngleRadii'][id]),style=wx.TE_PROCESS_ENTER)
277	self.objList[aRadii.GetId()] = ['AngleRadii',id]
278	aRadii.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal)
279	aRadii.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal)
280	radiiSizer.Add(aRadii,0,wx.ALIGN_CENTER_VERTICAL)
281	mainSizer.Add(radiiSizer,0,wx.EXPAND)
282	factorSizer = wx.FlexGridSizer(2,2,5,5)
283	Names = ['Bond','Angle']
284	for i,name in enumerate(Names):
285	factorSizer.Add(wx.StaticText(self.panel,-1,name+' search factor'),0,wx.ALIGN_CENTER_VERTICAL)
286	bondFact = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['Factors'][i]),style=wx.TE_PROCESS_ENTER)
287	self.objList[bondFact.GetId()] = ['Factors',i]
288	bondFact.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal)
289	bondFact.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal)
290	factorSizer.Add(bondFact)
291	mainSizer.Add(factorSizer,0,wx.EXPAND)
292
293	OkBtn = wx.Button(self.panel,-1,"Ok")
294	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
295	ResetBtn = wx.Button(self.panel,-1,'Reset')
296	ResetBtn.Bind(wx.EVT_BUTTON, self.OnReset)
297	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
298	btnSizer.Add((20,20),1)
299	btnSizer.Add(OkBtn)
300	btnSizer.Add(ResetBtn)
301	btnSizer.Add((20,20),1)
302	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
303	self.panel.SetSizer(mainSizer)
304	self.panel.Fit()
305	self.Fit()
306
307	def OnRadiiVal(self,event):
308	Obj = event.GetEventObject()
309	item = self.objList[Obj.GetId()]
310	try:
311	self.data[item[0]][item[1]] = float(Obj.GetValue())
312	except ValueError:
313	pass
314	Obj.SetValue("%.3f"%(self.data[item[0]][item[1]])) #reset in case of error
315
316	def GetData(self):
317	return self.data
318
319	def OnOk(self,event):
320	parent = self.GetParent()
321	parent.Raise()
322	self.EndModal(wx.ID_OK)
323
324	def OnReset(self,event):
325	data = {}
326	self.__default__(data,self.default)
327	self.Draw(self.data)
328
329	class PickTwoDialog(wx.Dialog):
330
331	def __init__(self,parent,title,prompt,names,choices):
332	wx.Dialog.__init__(self,parent,-1,title,
333	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
334	self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw!
335	self.prompt = prompt
336	self.choices = choices
337	self.names = names
338	self.Draw()
339
340	def Draw(self):
341	Indx = {}
342
343	def OnSelection(event):
344	Obj = event.GetEventObject()
345	id = Indx[Obj.GetId()]
346	self.choices[id] = Obj.GetValue().encode() #to avoid Unicode versions
347	self.Draw()
348
349	self.panel.DestroyChildren()
350	self.panel.Destroy()
351	self.panel = wx.Panel(self)
352	mainSizer = wx.BoxSizer(wx.VERTICAL)
353	mainSizer.Add(wx.StaticText(self.panel,-1,self.prompt),0,wx.ALIGN_CENTER)
354	for isel,name in enumerate(self.choices):
355	lineSizer = wx.BoxSizer(wx.HORIZONTAL)
356	lineSizer.Add(wx.StaticText(self.panel,-1,'Reference atom '+str(isel+1)),0,wx.ALIGN_CENTER)
357	nameList = self.names[:]
358	if isel:
359	if self.choices[0] in nameList:
360	nameList.remove(self.choices[0])
361	choice = wx.ComboBox(self.panel,-1,value=name,choices=nameList,
362	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
363	Indx[choice.GetId()] = isel
364	choice.Bind(wx.EVT_COMBOBOX, OnSelection)
365	lineSizer.Add(choice,0,wx.ALIGN_CENTER)
366	mainSizer.Add(lineSizer)
367	OkBtn = wx.Button(self.panel,-1,"Ok")
368	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
369	CancelBtn = wx.Button(self.panel,-1,'Cancel')
370	CancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
371	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
372	btnSizer.Add((20,20),1)
373	btnSizer.Add(OkBtn)
374	btnSizer.Add(CancelBtn)
375	btnSizer.Add((20,20),1)
376	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
377	self.panel.SetSizer(mainSizer)
378	self.panel.Fit()
379	self.Fit()
380
381	def GetSelection(self):
382	return self.choices
383
384	def OnOk(self,event):
385	parent = self.GetParent()
386	parent.Raise()
387	self.EndModal(wx.ID_OK)
388
389	def OnCancel(self,event):
390	parent = self.GetParent()
391	parent.Raise()
392	self.EndModal(wx.ID_CANCEL)
393
394	class SingleFloatDialog(wx.Dialog):
395
396	def __init__(self,parent,title,prompt,value,limits=[0.,1.],format='%.5g'):
397	wx.Dialog.__init__(self,parent,-1,title,
398	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
399	self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw!
400	self.limits = limits
401	self.value = value
402	self.prompt = prompt
403	self.format = format
404	self.Draw()
405
406	def Draw(self):
407
408	def OnValItem(event):
409	try:
410	val = float(valItem.GetValue())
411	if val < self.limits[0] or val > self.limits[1]:
412	raise ValueError
413	except ValueError:
414	val = self.value
415	self.value = val
416	valItem.SetValue(self.format%(self.value))
417
418	self.panel.Destroy()
419	self.panel = wx.Panel(self)
420	mainSizer = wx.BoxSizer(wx.VERTICAL)
421	mainSizer.Add(wx.StaticText(self.panel,-1,self.prompt),0,wx.ALIGN_CENTER)
422	valItem = wx.TextCtrl(self.panel,-1,value=self.format%(self.value),style=wx.TE_PROCESS_ENTER)
423	mainSizer.Add(valItem,0,wx.ALIGN_CENTER)
424	valItem.Bind(wx.EVT_TEXT_ENTER,OnValItem)
425	valItem.Bind(wx.EVT_KILL_FOCUS,OnValItem)
426	OkBtn = wx.Button(self.panel,-1,"Ok")
427	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
428	CancelBtn = wx.Button(self.panel,-1,'Cancel')
429	CancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
430	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
431	btnSizer.Add((20,20),1)
432	btnSizer.Add(OkBtn)
433	btnSizer.Add(CancelBtn)
434	btnSizer.Add((20,20),1)
435	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
436	self.panel.SetSizer(mainSizer)
437	self.panel.Fit()
438	self.Fit()
439
440	def GetValue(self):
441	return self.value
442
443	def OnOk(self,event):
444	parent = self.GetParent()
445	parent.Raise()
446	self.EndModal(wx.ID_OK)
447
448	def OnCancel(self,event):
449	parent = self.GetParent()
450	parent.Raise()
451	self.EndModal(wx.ID_CANCEL)
452
453	class GridFractionEditor(wg.PyGridCellEditor):
454	def __init__(self,grid):
455	wg.PyGridCellEditor.__init__(self)
456
457	def Create(self, parent, id, evtHandler):
458	self._tc = wx.TextCtrl(parent, id, "")
459	self._tc.SetInsertionPoint(0)
460	self.SetControl(self._tc)
461
462	if evtHandler:
463	self._tc.PushEventHandler(evtHandler)
464
465	self._tc.Bind(wx.EVT_CHAR, self.OnChar)
466
467	def SetSize(self, rect):
468	self._tc.SetDimensions(rect.x, rect.y, rect.width+2, rect.height+2,
469	wx.SIZE_ALLOW_MINUS_ONE)
470
471	def BeginEdit(self, row, col, grid):
472	self.startValue = grid.GetTable().GetValue(row, col)
473	self._tc.SetValue(str(self.startValue))
474	self._tc.SetInsertionPointEnd()
475	self._tc.SetFocus()
476	self._tc.SetSelection(0, self._tc.GetLastPosition())
477
478	def EndEdit(self, row, col, grid):
479	changed = False
480
481	val = self._tc.GetValue().lower()
482
483	if val != self.startValue:
484	changed = True
485	neg = False
486	if '-' in val:
487	neg = True
488	if '/' in val and '.' not in val:
489	val += '.'
490	elif 's' in val and not 'sind(' in val:
491	if neg:
492	val = '-sind('+val.strip('-s')+')'
493	else:
494	val = 'sind('+val.strip('s')+')'
495	elif 'c' in val and not 'cosd(' in val:
496	if neg:
497	val = '-cosd('+val.strip('-c')+')'
498	else:
499	val = 'cosd('+val.strip('c')+')'
500	try:
501	val = float(eval(val))
502	except (SyntaxError,NameError):
503	val = self.startValue
504	grid.GetTable().SetValue(row, col, val) # update the table
505
506	self.startValue = ''
507	self._tc.SetValue('')
508	return changed
509
510	def Reset(self):
511	self._tc.SetValue(self.startValue)
512	self._tc.SetInsertionPointEnd()
513
514	def Clone(self):
515	return GridFractionEditor(grid)
516
517	def StartingKey(self, evt):
518	self.OnChar(evt)
519	if evt.GetSkipped():
520	self._tc.EmulateKeyPress(evt)
521
522	def OnChar(self, evt):
523	key = evt.GetKeyCode()
524	if key == 15:
525	return
526	if key > 255:
527	evt.Skip()
528	return
529	char = chr(key)
530	if char in '.+-/0123456789cosind()':
531	self._tc.WriteText(char)
532	else:
533	evt.Skip()
534
535	class MyHelp(wx.Menu):
536	'''This class creates the contents of a help menu.
537	The menu will start with two entries:
538	'Help on <helpType>': where helpType is a reference to an HTML page to
539	be opened
540	About: opens an About dialog using OnHelpAbout. N.B. on the Mac this
541	gets moved to the App menu to be consistent with Apple style.
542	NOTE: the title when appending this menu should be '&Help' so the wx handles
543	it correctly. BHT
544	'''
545	def __init__(self,frame,helpType=None,helpLbl=None,morehelpitems=[],title=''):
546	wx.Menu.__init__(self,title)
547	self.HelpById = {}
548	self.frame = frame
549	self.Append(help='', id=wx.ID_ABOUT, kind=wx.ITEM_NORMAL,
550	text='&About GSAS-II')
551	frame.Bind(wx.EVT_MENU, self.OnHelpAbout, id=wx.ID_ABOUT)
552	if GSASIIpath.whichsvn():
553	helpobj = self.Append(
554	help='', id=wx.ID_ANY, kind=wx.ITEM_NORMAL,
555	text='&Check for updates')
556	frame.Bind(wx.EVT_MENU, self.OnCheckUpdates, helpobj)
557	for lbl,indx in morehelpitems:
558	helpobj = self.Append(text=lbl,
559	id=wx.ID_ANY, kind=wx.ITEM_NORMAL)
560	frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj)
561	self.HelpById[helpobj.GetId()] = indx
562	# add a help item only when helpType is specified
563	if helpType is not None:
564	self.AppendSeparator()
565	if helpLbl is None: helpLbl = helpType
566	helpobj = self.Append(text='Help on '+helpLbl,
567	id=wx.ID_ANY, kind=wx.ITEM_NORMAL)
568	frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj)
569	self.HelpById[helpobj.GetId()] = helpType
570
571	def OnHelpById(self,event):
572	'''Called when Help on... is pressed in a menu. Brings up
573	a web page for documentation.
574	'''
575	helpType = self.HelpById.get(event.GetId())
576	if helpType is None:
577	print 'Error: help lookup failed!',event.GetEventObject()
578	print 'id=',event.GetId()
579	else:
580	ShowHelp(helpType,self.frame)
581
582	def OnHelpAbout(self, event):
583	"Display an 'About GSAS-II' box"
584	global __version__
585	info = wx.AboutDialogInfo()
586	info.Name = 'GSAS-II'
587	info.Version = __version__ + ' Revision '+str(GSASIIpath.GetVersionNumber())
588	info.Copyright = '''
589	Robert B. Von Dreele & Brian H. Toby
590	Argonne National Laboratory(C)
591	This product includes software developed
592	by the UChicago Argonne, LLC, as
593	Operator of Argonne National Laboratory.
594	Please cite:
595	B.H. Toby & R.B. Von Dreele, J. Appl. Cryst. 46, 544-549 (2013) '''
596	info.Description = '''
597	General Structure Analysis System - GSAS-II
598	'''
599	wx.AboutBox(info)
600
601	def OnCheckUpdates(self,event):
602	'''Check if the GSAS-II repository has an update for the current source files
603	and perform that update if requested.
604	'''
605	if not GSASIIpath.whichsvn():
606	dlg = wx.MessageDialog(self,'No Subversion','Cannot update GSAS-II because subversion (svn) '+
607	'was not found.'
608	,wx.OK)
609	dlg.ShowModal()
610	return
611	wx.BeginBusyCursor()
612	local = GSASIIpath.svnGetRev()
613	if local is None:
614	wx.EndBusyCursor()
615	dlg = wx.MessageDialog(self.frame,
616	'Unable to run subversion on the GSAS-II current directory. Is GSAS-II installed correctly?',
617	'Subversion error',
618	wx.OK)
619	dlg.ShowModal()
620	return
621	print 'Installed GSAS-II version: '+local
622	repos = GSASIIpath.svnGetRev(local=False)
623	wx.EndBusyCursor()
624	if repos is None:
625	dlg = wx.MessageDialog(self.frame,
626	'Unable to access the GSAS-II server. Is this computer on the internet?',
627	'Server unavailable',
628	wx.OK)
629	dlg.ShowModal()
630	return
631	print 'GSAS-II version on server: '+repos
632	if local == repos:
633	dlg = wx.MessageDialog(self.frame,
634	'GSAS-II is up-to-date. Version '+local+' is already loaded.',
635	'GSAS-II Up-to-date',
636	wx.OK)
637	dlg.ShowModal()
638	return
639	mods = GSASIIpath.svnFindLocalChanges()
640	if mods:
641	dlg = wx.MessageDialog(self.frame,
642	'You have version '+local+
643	' of GSAS-II installed, but the current version is '+repos+
644	'. However, you have modified '+str(len(mods))+
645	' file(s) on your local computer have been modified.'
646	' Updating could wipe out your local changes. Press OK to start an update:',
647	'Local GSAS-II Mods',
648	wx.OK\|wx.CANCEL)
649	if dlg.ShowModal() != wx.ID_OK: return
650	else:
651	dlg = wx.MessageDialog(self.frame,
652	'You have version '+local+
653	' of GSAS-II installed, but the current version is '+repos+
654	'. Press OK to start an update:',
655	'GSAS-II Updates',
656	wx.OK\|wx.CANCEL)
657	if dlg.ShowModal() != wx.ID_OK: return
658	print 'start updates'
659	wx.BeginBusyCursor()
660	moddict = GSASIIpath.svnUpdateDir()
661	wx.EndBusyCursor()
662	if moddict is None:
663	dlg = wx.MessageDialog(self.frame,
664	'Error accessing the GSAS-II server or performing the update. '+
665	'Try again later or perform a manual update',
666	'Update Error',
667	wx.OK)
668	dlg.ShowModal()
669	return
670	modsbytype = {}
671	for key in moddict:
672	typ = moddict[key]
673	if modsbytype.get(typ) is None:
674	modsbytype[typ] = []
675	modsbytype[typ].append(key)
676	msg = 'Update was completed. Changes will take effect when GSAS-II is next updated. The following files were updated, ordered by status:'
677	for key in modsbytype:
678	msg += '\n' + key + ':\n\t'
679	for fil in modsbytype:
680	msg += fil + ', '
681	dlg = wx.MessageDialog(self.frame,msg, 'Update Completed', wx.OK)
682	dlg.ShowModal()
683	return
684
685	class AddHelp(wx.Menu):
686	'''This class a single entry for the help menu (used on the Mac only):
687	'Help on <helpType>': where helpType is a reference to an HTML page to
688	be opened
689	NOTE: the title when appending this menu should be '&Help' so the wx handles
690	it correctly. BHT
691	'''
692	def __init__(self,frame,helpType,helpLbl=None,title=''):
693	wx.Menu.__init__(self,title)
694	self.frame = frame
695	if helpLbl is None: helpLbl = helpType
696	# add a help item only when helpType is specified
697	helpobj = self.Append(text='Help on '+helpLbl,
698	id=wx.ID_ANY, kind=wx.ITEM_NORMAL)
699	frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj)
700	self.HelpById = helpType
701
702	def OnHelpById(self,event):
703	'''Called when Help on... is pressed in a menu. Brings up
704	a web page for documentation.
705	'''
706	ShowHelp(self.HelpById,self.frame)
707
708	class MyHtmlPanel(wx.Panel):
709	'''Defines a panel to display Help information'''
710	def __init__(self, frame, id):
711	self.frame = frame
712	wx.Panel.__init__(self, frame, id)
713	sizer = wx.BoxSizer(wx.VERTICAL)
714	back = wx.Button(self, -1, "Back")
715	back.Bind(wx.EVT_BUTTON, self.OnBack)
716	self.htmlwin = G2HtmlWindow(self, id, size=(750,450))
717	sizer.Add(self.htmlwin, 1,wx.EXPAND)
718	sizer.Add(back, 0, wx.ALIGN_LEFT, 0)
719	self.SetSizer(sizer)
720	sizer.Fit(frame)
721	self.Bind(wx.EVT_SIZE,self.OnSize)
722	def OnSize(self,event): #does the job but weirdly!!
723	anchor = self.htmlwin.GetOpenedAnchor()
724	if anchor:
725	self.htmlwin.ScrollToAnchor(anchor)
726	wx.CallAfter(self.htmlwin.ScrollToAnchor,anchor)
727	event.Skip()
728	def OnBack(self, event):
729	self.htmlwin.HistoryBack()
730	def LoadFile(self,file):
731	pos = file.rfind('#')
732	if pos != -1:
733	helpfile = file[:pos]
734	helpanchor = file[pos+1:]
735	else:
736	helpfile = file
737	helpanchor = None
738	self.htmlwin.LoadPage(helpfile)
739	if helpanchor is not None:
740	self.htmlwin.ScrollToAnchor(helpanchor)
741	xs,ys = self.htmlwin.GetViewStart()
742	self.htmlwin.Scroll(xs,ys-1)
743
744	class G2HtmlWindow(wx.html.HtmlWindow):
745	'''Displays help information in a primitive HTML browser type window
746	'''
747	def __init__(self, parent, args, *kwargs):
748	self.parent = parent
749	wx.html.HtmlWindow.__init__(self, parent, args, *kwargs)
750	def LoadPage(self, args, *kwargs):
751	wx.html.HtmlWindow.LoadPage(self, args, *kwargs)
752	self.TitlePage()
753	def OnLinkClicked(self, args, *kwargs):
754	wx.html.HtmlWindow.OnLinkClicked(self, args, *kwargs)
755	xs,ys = self.GetViewStart()
756	self.Scroll(xs,ys-1)
757	self.TitlePage()
758	def HistoryBack(self, args, *kwargs):
759	wx.html.HtmlWindow.HistoryBack(self, args, *kwargs)
760	self.TitlePage()
761	def TitlePage(self):
762	self.parent.frame.SetTitle(self.GetOpenedPage() + ' -- ' +
763	self.GetOpenedPageTitle())
764
765	class DataFrame(wx.Frame):
766	'''Create the dataframe window and its menus
767	'''
768	def PrefillDataMenu(self,menu,helpType,helpLbl=None,empty=False):
769	'''Create the "standard" part of data frame menus. Note that on Linux and
770	Windows, this is the standard help Menu. On Mac, this menu duplicates the
771	tree menu, but adds an extra help command for the data item and a separator.
772	'''
773	self.datamenu = menu
774	self.helpType = helpType
775	self.helpLbl = helpLbl
776	if sys.platform == "darwin": # mac
777	self.G2frame.FillMainMenu(menu) # add the data tree menu items
778	if not empty:
779	menu.Append(wx.Menu(title=''),title='\|') # add a separator
780	# menu.Append(AddHelp(self.G2frame,helpType=helpType, helpLbl=helpLbl),
781	# title='&Help')
782	#else: # other
783	# menu.Append(menu=MyHelp(self,helpType=helpType, helpLbl=helpLbl),
784	# title='&Help')
785
786	def PostfillDataMenu(self,empty=False):
787	'''Create the "standard" part of data frame menus. Note that on Linux and
788	Windows, this is the standard help Menu. On Mac, this menu duplicates the
789	tree menu, but adds an extra help command for the data item and a separator.
790	'''
791	menu = self.datamenu
792	helpType = self.helpType
793	helpLbl = self.helpLbl
794	if sys.platform == "darwin": # mac
795	if not empty:
796	menu.Append(wx.Menu(title=''),title='\|') # add another separator
797	menu.Append(AddHelp(self.G2frame,helpType=helpType, helpLbl=helpLbl),
798	title='&Help')
799	else: # other
800	menu.Append(menu=MyHelp(self,helpType=helpType, helpLbl=helpLbl),
801	title='&Help')
802
803	def _init_menus(self):
804
805	# define all GSAS-II data frame menus
806
807	# for use where no menu or data frame help is provided
808	self.BlankMenu = wx.MenuBar()
809
810	# Controls
811	self.ControlsMenu = wx.MenuBar()
812	self.PrefillDataMenu(self.ControlsMenu,helpType='Controls',empty=True)
813	self.PostfillDataMenu(empty=True)
814
815	# Notebook
816	self.DataNotebookMenu = wx.MenuBar()
817	self.PrefillDataMenu(self.DataNotebookMenu,helpType='Notebook',empty=True)
818	self.PostfillDataMenu(empty=True)
819
820	# Comments
821	self.DataCommentsMenu = wx.MenuBar()
822	self.PrefillDataMenu(self.DataCommentsMenu,helpType='Comments',empty=True)
823	self.PostfillDataMenu(empty=True)
824
825	# Constraints
826	self.ConstraintMenu = wx.MenuBar()
827	self.PrefillDataMenu(self.ConstraintMenu,helpType='Constraints')
828	self.ConstraintEdit = wx.Menu(title='')
829	self.ConstraintMenu.Append(menu=self.ConstraintEdit, title='Edit')
830	self.ConstraintEdit.Append(id=wxID_HOLDADD, kind=wx.ITEM_NORMAL,text='Add hold',
831	help='Add hold on a parameter value')
832	self.ConstraintEdit.Append(id=wxID_EQUIVADD, kind=wx.ITEM_NORMAL,text='Add equivalence',
833	help='Add equivalence between parameter values')
834	self.ConstraintEdit.Append(id=wxID_CONSTRAINTADD, kind=wx.ITEM_NORMAL,text='Add constraint',
835	help='Add constraint on parameter values')
836	self.ConstraintEdit.Append(id=wxID_FUNCTADD, kind=wx.ITEM_NORMAL,text='Add New Var',
837	help='Add variable composed of existing parameter')
838	self.PostfillDataMenu()
839
840	# Rigid bodies
841	self.VectorRBEdit = wx.Menu(title='')
842	self.VectorRBEdit.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Add rigid body',
843	help='Add vector rigid body')
844	self.ResidueRBMenu = wx.Menu(title='')
845	self.ResidueRBMenu.Append(id=wxID_RIGIDBODYIMPORT, kind=wx.ITEM_NORMAL,text='Import XYZ',
846	help='Import rigid body XYZ from file')
847	self.ResidueRBMenu.Append(id=wxID_RESIDUETORSSEQ, kind=wx.ITEM_NORMAL,text='Define sequence',
848	help='Define torsion sequence')
849	self.ResidueRBMenu.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Import residues',
850	help='Import residue rigid bodies from macro file')
851
852	self.RigidBodyMenu = wx.MenuBar()
853	self.PrefillDataMenu(self.RigidBodyMenu,helpType='Rigid bodies')
854	self.RigidBodyMenu.Append(menu=self.VectorRBEdit, title='Edit')
855	self.PostfillDataMenu()
856
857	# Restraints
858	self.RestraintEdit = wx.Menu(title='')
859	self.RestraintEdit.Append(id=wxID_RESTSELPHASE, kind=wx.ITEM_NORMAL,text='Select phase',
860	help='Select phase')
861	self.RestraintEdit.Append(id=wxID_RESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add restraints',
862	help='Add restraints')
863	self.RestraintEdit.Enable(wxID_RESTRAINTADD,True) #gets disenabled if macromolecule phase
864	self.RestraintEdit.Append(id=wxID_AARESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add residue restraints',
865	help='Add residue based restraints for macromolecules from macro file')
866	self.RestraintEdit.Enable(wxID_AARESTRAINTADD,False) #gets enabled if macromolecule phase
867	self.RestraintEdit.Append(id=wxID_AARESTRAINTPLOT, kind=wx.ITEM_NORMAL,text='Plot residue restraints',
868	help='Plot selected residue based restraints for macromolecules from macro file')
869	self.RestraintEdit.Enable(wxID_AARESTRAINTPLOT,False) #gets enabled if macromolecule phase
870	self.RestraintEdit.Append(id=wxID_RESRCHANGEVAL, kind=wx.ITEM_NORMAL,text='Change value',
871	help='Change observed value')
872	self.RestraintEdit.Append(id=wxID_RESTCHANGEESD, kind=wx.ITEM_NORMAL,text='Change esd',
873	help='Change esd in observed value')
874	self.RestraintEdit.Append(id=wxID_RESTDELETE, kind=wx.ITEM_NORMAL,text='Delete restraints',
875	help='Delete selected restraints')
876
877	self.RestraintMenu = wx.MenuBar()
878	self.PrefillDataMenu(self.RestraintMenu,helpType='Restraints')
879	self.RestraintMenu.Append(menu=self.RestraintEdit, title='Edit')
880	self.PostfillDataMenu()
881
882	# Sequential results
883	self.SequentialMenu = wx.MenuBar()
884	self.PrefillDataMenu(self.SequentialMenu,helpType='Sequential',helpLbl='Sequential Refinement')
885	self.SequentialFile = wx.Menu(title='')
886	self.SequentialMenu.Append(menu=self.SequentialFile, title='File')
887	self.SequentialFile.Append(id=wxID_SAVESEQSEL, kind=wx.ITEM_NORMAL,text='Save...',
888	help='Save selected sequential refinement results')
889	self.PostfillDataMenu()
890
891	# PDR
892	self.ErrorMenu = wx.MenuBar()
893	self.PrefillDataMenu(self.ErrorMenu,helpType='PWD Analysis',helpLbl='Powder Fit Error Analysis')
894	self.ErrorAnal = wx.Menu(title='')
895	self.ErrorMenu.Append(menu=self.ErrorAnal,title='Analysis')
896	self.ErrorAnal.Append(id=wxID_PWDANALYSIS,kind=wx.ITEM_NORMAL,text='Analyze',
897	help='Error analysis on powder pattern')
898	self.PostfillDataMenu()
899
900	# PDR / Limits
901	self.LimitMenu = wx.MenuBar()
902	self.PrefillDataMenu(self.LimitMenu,helpType='Limits')
903	self.LimitEdit = wx.Menu(title='')
904	self.LimitMenu.Append(menu=self.LimitEdit, title='File')
905	self.LimitEdit.Append(id=wxID_LIMITCOPY, kind=wx.ITEM_NORMAL,text='Copy',
906	help='Copy limits to other histograms')
907	self.PostfillDataMenu()
908
909	# PDR / Background
910	self.BackMenu = wx.MenuBar()
911	self.PrefillDataMenu(self.BackMenu,helpType='Background')
912	self.BackEdit = wx.Menu(title='')
913	self.BackMenu.Append(menu=self.BackEdit, title='File')
914	self.BackEdit.Append(id=wxID_BACKCOPY, kind=wx.ITEM_NORMAL,text='Copy',
915	help='Copy background parameters to other histograms')
916	self.BackEdit.Append(id=wxID_BACKFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
917	help='Copy background refinement flags to other histograms')
918	self.PostfillDataMenu()
919
920	# PDR / Instrument Parameters
921	self.InstMenu = wx.MenuBar()
922	self.PrefillDataMenu(self.InstMenu,helpType='Instrument Parameters')
923	self.InstEdit = wx.Menu(title='')
924	self.InstMenu.Append(menu=self.InstEdit, title='Operations')
925	self.InstEdit.Append(help='Reset instrument profile parameters to default',
926	id=wxID_INSTLOAD, kind=wx.ITEM_NORMAL,text='Load profile...')
927	self.InstEdit.Append(help='Load instrument profile parameters from file',
928	id=wxID_INSTSAVE, kind=wx.ITEM_NORMAL,text='Save profile...')
929	self.InstEdit.Append(help='Save instrument profile parameters to file',
930	id=wxID_INSTPRMRESET, kind=wx.ITEM_NORMAL,text='Reset profile')
931	self.InstEdit.Append(help='Copy instrument profile parameters to other histograms',
932	id=wxID_INSTCOPY, kind=wx.ITEM_NORMAL,text='Copy')
933	self.InstEdit.Append(id=wxID_INSTFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
934	help='Copy instrument parameter refinement flags to other histograms')
935	# self.InstEdit.Append(help='Change radiation type (Ka12 - synch)',
936	# id=wxID_CHANGEWAVETYPE, kind=wx.ITEM_NORMAL,text='Change radiation')
937	self.PostfillDataMenu()
938
939	# PDR / Sample Parameters
940	self.SampleMenu = wx.MenuBar()
941	self.PrefillDataMenu(self.SampleMenu,helpType='Sample Parameters')
942	self.SampleEdit = wx.Menu(title='')
943	self.SampleMenu.Append(menu=self.SampleEdit, title='File')
944	self.SampleEdit.Append(id=wxID_SAMPLELOAD, kind=wx.ITEM_NORMAL,text='Load',
945	help='Load sample parameters from file')
946	self.SampleEdit.Append(id=wxID_SAMPLESAVE, kind=wx.ITEM_NORMAL,text='Save',
947	help='Save sample parameters to file')
948	self.SampleEdit.Append(id=wxID_SAMPLECOPY, kind=wx.ITEM_NORMAL,text='Copy',
949	help='Copy refinable sample parameters to other histograms')
950	self.SampleEdit.Append(id=wxID_SAMPLEFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
951	help='Copy sample parameter refinement flags to other histograms')
952	self.PostfillDataMenu()
953
954	# PDR / Peak List
955	self.PeakMenu = wx.MenuBar()
956	self.PrefillDataMenu(self.PeakMenu,helpType='Peak List')
957	self.PeakEdit = wx.Menu(title='')
958	self.PeakMenu.Append(menu=self.PeakEdit, title='Peak Fitting')
959	self.AutoSearch = self.PeakEdit.Append(help='Automatic peak search',
960	id=wxID_AUTOSEARCH, kind=wx.ITEM_NORMAL,text='Auto search')
961	self.UnDo = self.PeakEdit.Append(help='Undo last least squares refinement',
962	id=wxID_UNDO, kind=wx.ITEM_NORMAL,text='UnDo')
963	self.PeakFit = self.PeakEdit.Append(id=wxID_LSQPEAKFIT, kind=wx.ITEM_NORMAL,text='LSQ PeakFit',
964	help='Peak fitting via least-squares' )
965	self.PFOneCycle = self.PeakEdit.Append(id=wxID_LSQONECYCLE, kind=wx.ITEM_NORMAL,text='LSQ one cycle',
966	help='One cycle of Peak fitting via least-squares' )
967	self.PeakEdit.Append(id=wxID_RESETSIGGAM, kind=wx.ITEM_NORMAL,
968	text='Reset sig and gam',help='Reset sigma and gamma to global fit' )
969	self.PeakEdit.Append(id=wxID_CLEARPEAKS, kind=wx.ITEM_NORMAL,text='Clear peaks',
970	help='Clear the peak list' )
971	self.PostfillDataMenu()
972	self.UnDo.Enable(False)
973	self.PeakFit.Enable(False)
974	self.PFOneCycle.Enable(False)
975
976	# PDR / Index Peak List
977	self.IndPeaksMenu = wx.MenuBar()
978	self.PrefillDataMenu(self.IndPeaksMenu,helpType='Index Peak List')
979	self.IndPeaksEdit = wx.Menu(title='')
980	self.IndPeaksMenu.Append(menu=self.IndPeaksEdit,title='Operations')
981	self.IndPeaksEdit.Append(help='Load/Reload index peaks from peak list',id=wxID_INDXRELOAD,
982	kind=wx.ITEM_NORMAL,text='Load/Reload')
983	self.PostfillDataMenu()
984
985	# PDR / Unit Cells List
986	self.IndexMenu = wx.MenuBar()
987	self.PrefillDataMenu(self.IndexMenu,helpType='Unit Cells List')
988	self.IndexEdit = wx.Menu(title='')
989	self.IndexMenu.Append(menu=self.IndexEdit, title='Cell Index/Refine')
990	self.IndexPeaks = self.IndexEdit.Append(help='', id=wxID_INDEXPEAKS, kind=wx.ITEM_NORMAL,
991	text='Index Cell')
992	self.CopyCell = self.IndexEdit.Append( id=wxID_COPYCELL, kind=wx.ITEM_NORMAL,text='Copy Cell',
993	help='Copy selected unit cell from indexing to cell refinement fields')
994	self.RefineCell = self.IndexEdit.Append( id=wxID_REFINECELL, kind=wx.ITEM_NORMAL,
995	text='Refine Cell',help='Refine unit cell parameters from indexed peaks')
996	self.MakeNewPhase = self.IndexEdit.Append( id=wxID_MAKENEWPHASE, kind=wx.ITEM_NORMAL,
997	text='Make new phase',help='Make new phase from selected unit cell')
998	self.PostfillDataMenu()
999	self.IndexPeaks.Enable(False)
1000	self.CopyCell.Enable(False)
1001	self.RefineCell.Enable(False)
1002	self.MakeNewPhase.Enable(False)
1003
1004	# PDR / Reflection Lists
1005	self.ReflMenu = wx.MenuBar()
1006	self.PrefillDataMenu(self.ReflMenu,helpType='Reflection List')
1007	self.ReflEdit = wx.Menu(title='')
1008	self.ReflMenu.Append(menu=self.ReflEdit, title='Reflection List')
1009	self.SelectPhase = self.ReflEdit.Append(help='Select phase for reflection list',id=wxID_SELECTPHASE,
1010	kind=wx.ITEM_NORMAL,text='Select phase')
1011	self.PostfillDataMenu()
1012
1013	# IMG / Image Controls
1014	self.ImageMenu = wx.MenuBar()
1015	self.PrefillDataMenu(self.ImageMenu,helpType='Image Controls')
1016	self.ImageEdit = wx.Menu(title='')
1017	self.ImageMenu.Append(menu=self.ImageEdit, title='Operations')
1018	self.ImageEdit.Append(help='Calibrate detector by fitting to calibrant lines',
1019	id=wxID_IMCALIBRATE, kind=wx.ITEM_NORMAL,text='Calibrate')
1020	self.ImageEdit.Append(help='Recalibrate detector by fitting to calibrant lines',
1021	id=wxID_IMRECALIBRATE, kind=wx.ITEM_NORMAL,text='Recalibrate')
1022	self.ImageEdit.Append(help='Clear calibration data points and rings',id=wxID_IMCLEARCALIB,
1023	kind=wx.ITEM_NORMAL,text='Clear calibration')
1024	self.ImageEdit.Append(help='Integrate selected image',id=wxID_IMINTEGRATE,
1025	kind=wx.ITEM_NORMAL,text='Integrate')
1026	self.ImageEdit.Append(help='Integrate all images selected from list',id=wxID_INTEGRATEALL,
1027	kind=wx.ITEM_NORMAL,text='Integrate all')
1028	self.ImageEdit.Append(help='Copy image controls to other images',
1029	id=wxID_IMCOPYCONTROLS, kind=wx.ITEM_NORMAL,text='Copy Controls')
1030	self.ImageEdit.Append(help='Save image controls to file',
1031	id=wxID_IMSAVECONTROLS, kind=wx.ITEM_NORMAL,text='Save Controls')
1032	self.ImageEdit.Append(help='Load image controls from file',
1033	id=wxID_IMLOADCONTROLS, kind=wx.ITEM_NORMAL,text='Load Controls')
1034	self.PostfillDataMenu()
1035
1036	# IMG / Masks
1037	self.MaskMenu = wx.MenuBar()
1038	self.PrefillDataMenu(self.MaskMenu,helpType='Image Masks')
1039	self.MaskEdit = wx.Menu(title='')
1040	self.MaskMenu.Append(menu=self.MaskEdit, title='Operations')
1041	self.MaskEdit.Append(help='Copy mask to other images',
1042	id=wxID_MASKCOPY, kind=wx.ITEM_NORMAL,text='Copy mask')
1043	self.MaskEdit.Append(help='Save mask to file',
1044	id=wxID_MASKSAVE, kind=wx.ITEM_NORMAL,text='Save mask')
1045	self.MaskEdit.Append(help='Load mask from file',
1046	id=wxID_MASKLOAD, kind=wx.ITEM_NORMAL,text='Load mask')
1047	self.PostfillDataMenu()
1048
1049	# IMG / Stress/Strain
1050
1051	self.StrStaMenu = wx.MenuBar()
1052	self.PrefillDataMenu(self.StrStaMenu,helpType='Stress/Strain')
1053	self.StrStaEdit = wx.Menu(title='')
1054	self.StrStaMenu.Append(menu=self.StrStaEdit, title='Operations')
1055	self.StrStaEdit.Append(help='Append d-zero for one ring',
1056	id=wxID_APPENDDZERO, kind=wx.ITEM_NORMAL,text='Append d-zero')
1057	self.StrStaEdit.Append(help='Fit stress/strain data',
1058	id=wxID_STRSTAFIT, kind=wx.ITEM_NORMAL,text='Fit stress/strain')
1059	self.StrStaEdit.Append(help='Copy stress/strain data to other images',
1060	id=wxID_STRSTACOPY, kind=wx.ITEM_NORMAL,text='Copy stress/strain')
1061	self.StrStaEdit.Append(help='Save stress/strain data to file',
1062	id=wxID_STRSTASAVE, kind=wx.ITEM_NORMAL,text='Save stress/strain')
1063	self.StrStaEdit.Append(help='Load stress/strain data from file',
1064	id=wxID_STRSTALOAD, kind=wx.ITEM_NORMAL,text='Load stress/strain')
1065	self.PostfillDataMenu()
1066
1067	# PDF / PDF Controls
1068	self.PDFMenu = wx.MenuBar()
1069	self.PrefillDataMenu(self.PDFMenu,helpType='PDF Controls')
1070	self.PDFEdit = wx.Menu(title='')
1071	self.PDFMenu.Append(menu=self.PDFEdit, title='PDF Controls')
1072	self.PDFEdit.Append(help='Add element to sample composition',id=wxID_PDFADDELEMENT, kind=wx.ITEM_NORMAL,
1073	text='Add element')
1074	self.PDFEdit.Append(help='Delete element from sample composition',id=wxID_PDFDELELEMENT, kind=wx.ITEM_NORMAL,
1075	text='Delete element')
1076	self.PDFEdit.Append(help='Copy PDF controls', id=wxID_PDFCOPYCONTROLS, kind=wx.ITEM_NORMAL,
1077	text='Copy controls')
1078	# self.PDFEdit.Append(help='Load PDF controls from file',id=wxID_PDFLOADCONTROLS, kind=wx.ITEM_NORMAL,
1079	# text='Load Controls')
1080	# self.PDFEdit.Append(help='Save PDF controls to file', id=wxID_PDFSAVECONTROLS, kind=wx.ITEM_NORMAL,
1081	# text='Save controls')
1082	self.PDFEdit.Append(help='Compute PDF', id=wxID_PDFCOMPUTE, kind=wx.ITEM_NORMAL,
1083	text='Compute PDF')
1084	self.PDFEdit.Append(help='Compute all PDFs', id=wxID_PDFCOMPUTEALL, kind=wx.ITEM_NORMAL,
1085	text='Compute all PDFs')
1086	self.PostfillDataMenu()
1087
1088	# Phase / General tab
1089
1090	self.DataGeneral = wx.MenuBar()
1091	self.PrefillDataMenu(self.DataGeneral,helpType='General', helpLbl='Phase/General')
1092	self.GeneralCalc = wx.Menu(title='')
1093	self.DataGeneral.Append(menu=self.GeneralCalc,title='Compute')
1094	self.GeneralCalc.Append(help='Compute Fourier map',id=wxID_FOURCALC, kind=wx.ITEM_NORMAL,
1095	text='Fourier map')
1096	self.GeneralCalc.Append(help='Search Fourier map',id=wxID_FOURSEARCH, kind=wx.ITEM_NORMAL,
1097	text='Search map')
1098	self.GeneralCalc.Append(help='Run charge flipping',id=wxID_CHARGEFLIP, kind=wx.ITEM_NORMAL,
1099	text='Charge flipping')
1100	self.GeneralCalc.Append(help='Clear map',id=wxID_FOURCLEAR, kind=wx.ITEM_NORMAL,
1101	text='Clear map')
1102	self.PostfillDataMenu()
1103
1104	# Phase / Data tab
1105	self.DataMenu = wx.MenuBar()
1106	self.PrefillDataMenu(self.DataMenu,helpType='Data', helpLbl='Phase/Data')
1107	self.DataEdit = wx.Menu(title='')
1108	self.DataMenu.Append(menu=self.DataEdit, title='Edit')
1109	self.DataEdit.Append(id=wxID_PWDRADD, kind=wx.ITEM_NORMAL,text='Add powder histograms',
1110	help='Select new powder histograms to be used for this phase')
1111	self.DataEdit.Append(id=wxID_HKLFADD, kind=wx.ITEM_NORMAL,text='Add single crystal histograms',
1112	help='Select new single crystal histograms to be used for this phase')
1113	self.DataEdit.Append(id=wxID_DATADELETE, kind=wx.ITEM_NORMAL,text='Delete histograms',
1114	help='Delete histograms from use for this phase')
1115	self.PostfillDataMenu()
1116
1117	# Phase / Atoms tab
1118	self.AtomsMenu = wx.MenuBar()
1119	self.PrefillDataMenu(self.AtomsMenu,helpType='Atoms')
1120	self.AtomEdit = wx.Menu(title='')
1121	self.AtomCompute = wx.Menu(title='')
1122	self.AtomsMenu.Append(menu=self.AtomEdit, title='Edit')
1123	self.AtomsMenu.Append(menu=self.AtomCompute, title='Compute')
1124	self.AtomEdit.Append(id=wxID_ATOMSEDITADD, kind=wx.ITEM_NORMAL,text='Append atom',
1125	help='Appended as an H atom')
1126	self.AtomEdit.Append(id=wxID_ATOMSVIEWADD, kind=wx.ITEM_NORMAL,text='Append view point',
1127	help='Appended as an H atom')
1128	self.AtomEdit.Append(id=wxID_RBAPPEND, kind=wx.ITEM_NORMAL,text='Append rigid body',
1129	help='Append atoms for rigid body')
1130	self.AtomEdit.Append(id=wxID_ATOMSEDITINSERT, kind=wx.ITEM_NORMAL,text='Insert atom',
1131	help='Select atom row to insert before; inserted as an H atom')
1132	self.AtomEdit.Append(id=wxID_ATOMVIEWINSERT, kind=wx.ITEM_NORMAL,text='Insert view point',
1133	help='Select atom row to insert before; inserted as an H atom')
1134	self.AtomEdit.Append(id=wxID_ATOMMOVE, kind=wx.ITEM_NORMAL,text='Move atom to view point',
1135	help='Select single atom to move')
1136	self.AtomEdit.Append(id=wxID_ATOMSEDITDELETE, kind=wx.ITEM_NORMAL,text='Delete atom',
1137	help='Select atoms to delete first')
1138	self.AtomEdit.Append(id=wxID_ATOMSREFINE, kind=wx.ITEM_NORMAL,text='Set atom refinement flags',
1139	help='Select atoms to refine first')
1140	self.AtomEdit.Append(id=wxID_ATOMSMODIFY, kind=wx.ITEM_NORMAL,text='Modify atom parameters',
1141	help='Select atoms to modify first')
1142	self.AtomEdit.Append(id=wxID_ATOMSTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
1143	help='Select atoms to transform first')
1144	self.AtomEdit.Append(id=wxID_RELOADDRAWATOMS, kind=wx.ITEM_NORMAL,text='Reload draw atoms',
1145	help='Reload atom drawing list')
1146	self.AtomEdit.Append(id=wxID_ATOMSREIMPORT, kind=wx.ITEM_NORMAL,text='Reimport atoms',
1147	help='Reimport atoms from file; sequence must match')
1148	self.AtomCompute.Append(id=wxID_ATOMSDISAGL, kind=wx.ITEM_NORMAL,text='Distances && Angles',
1149	help='Compute distances & angles for selected atoms')
1150	self.PostfillDataMenu()
1151
1152	# Phase / Draw Options tab
1153	self.DataDrawOptions = wx.MenuBar()
1154	self.PrefillDataMenu(self.DataDrawOptions,helpType='Draw Options', helpLbl='Phase/Draw Options',empty=True)
1155	self.PostfillDataMenu(empty=True)
1156
1157	# Phase / Draw Atoms tab
1158	self.DrawAtomsMenu = wx.MenuBar()
1159	self.PrefillDataMenu(self.DrawAtomsMenu,helpType='Draw Atoms')
1160	self.DrawAtomEdit = wx.Menu(title='')
1161	self.DrawAtomCompute = wx.Menu(title='')
1162	self.DrawAtomRestraint = wx.Menu(title='')
1163	self.DrawAtomRigidBody = wx.Menu(title='')
1164	self.DrawAtomsMenu.Append(menu=self.DrawAtomEdit, title='Edit')
1165	self.DrawAtomsMenu.Append(menu=self.DrawAtomCompute,title='Compute')
1166	self.DrawAtomsMenu.Append(menu=self.DrawAtomRestraint, title='Restraints')
1167	self.DrawAtomsMenu.Append(menu=self.DrawAtomRigidBody, title='Rigid body')
1168	self.DrawAtomEdit.Append(id=wxID_DRAWATOMSTYLE, kind=wx.ITEM_NORMAL,text='Atom style',
1169	help='Select atoms first')
1170	self.DrawAtomEdit.Append(id=wxID_DRAWATOMLABEL, kind=wx.ITEM_NORMAL,text='Atom label',
1171	help='Select atoms first')
1172	self.DrawAtomEdit.Append(id=wxID_DRAWATOMCOLOR, kind=wx.ITEM_NORMAL,text='Atom color',
1173	help='Select atoms first')
1174	self.DrawAtomEdit.Append(id=wxID_DRAWATOMRESETCOLOR, kind=wx.ITEM_NORMAL,text='Reset atom colors',
1175	help='Resets all atom colors to defaults')
1176	self.DrawAtomEdit.Append(id=wxID_DRAWVIEWPOINT, kind=wx.ITEM_NORMAL,text='View point',
1177	help='View point is 1st atom selected')
1178	self.DrawAtomEdit.Append(id=wxID_DRAWADDEQUIV, kind=wx.ITEM_NORMAL,text='Add atoms',
1179	help='Add symmetry & cell equivalents to drawing set from selected atoms')
1180	self.DrawAtomEdit.Append(id=wxID_DRAWTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
1181	help='Transform selected atoms by symmetry & cell translations')
1182	self.DrawAtomEdit.Append(id=wxID_DRAWFILLCOORD, kind=wx.ITEM_NORMAL,text='Fill CN-sphere',
1183	help='Fill coordination sphere for selected atoms')
1184	self.DrawAtomEdit.Append(id=wxID_DRAWFILLCELL, kind=wx.ITEM_NORMAL,text='Fill unit cell',
1185	help='Fill unit cell with selected atoms')
1186	self.DrawAtomEdit.Append(id=wxID_DRAWDELETE, kind=wx.ITEM_NORMAL,text='Delete atoms',
1187	help='Delete atoms from drawing set')
1188	self.DrawAtomCompute.Append(id=wxID_DRAWDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.',
1189	help='Compute distance of selected atoms from view point')
1190	self.DrawAtomCompute.Append(id=wxID_DRAWDISAGLTOR, kind=wx.ITEM_NORMAL,text='Dist. Ang. Tors.',
1191	help='Compute distance, angle or torsion for 2-4 selected atoms')
1192	self.DrawAtomCompute.Append(id=wxID_DRAWPLANE, kind=wx.ITEM_NORMAL,text='Best plane',
1193	help='Compute best plane for 4+ selected atoms')
1194	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRBOND, kind=wx.ITEM_NORMAL,text='Add bond restraint',
1195	help='Add bond restraint for selected atoms (2)')
1196	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRANGLE, kind=wx.ITEM_NORMAL,text='Add angle restraint',
1197	help='Add angle restraint for selected atoms (3: one end 1st)')
1198	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRPLANE, kind=wx.ITEM_NORMAL,text='Add plane restraint',
1199	help='Add plane restraint for selected atoms (4+)')
1200	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRCHIRAL, kind=wx.ITEM_NORMAL,text='Add chiral restraint',
1201	help='Add chiral restraint for selected atoms (4: center atom 1st)')
1202	self.DrawAtomRigidBody.Append(id=wxID_DRAWDEFINERB, kind=wx.ITEM_NORMAL,text='Define rigid body',
1203	help='Define rigid body with selected atoms')
1204	self.PostfillDataMenu()
1205
1206	# Phase / Texture tab
1207	self.TextureMenu = wx.MenuBar()
1208	self.PrefillDataMenu(self.TextureMenu,helpType='Texture')
1209	self.TextureEdit = wx.Menu(title='')
1210	self.TextureMenu.Append(menu=self.TextureEdit, title='Texture')
1211	self.TextureEdit.Append(id=wxID_REFINETEXTURE, kind=wx.ITEM_NORMAL,text='Refine texture',
1212	help='Refine the texture coefficients from sequential Pawley results')
1213	self.TextureEdit.Append(id=wxID_CLEARTEXTURE, kind=wx.ITEM_NORMAL,text='Clear texture',
1214	help='Clear the texture coefficients' )
1215	self.PostfillDataMenu()
1216
1217	# Phase / Pawley tab
1218	self.PawleyMenu = wx.MenuBar()
1219	self.PrefillDataMenu(self.PawleyMenu,helpType='Pawley')
1220	self.PawleyEdit = wx.Menu(title='')
1221	self.PawleyMenu.Append(menu=self.PawleyEdit,title='Operations')
1222	self.PawleyEdit.Append(id=wxID_PAWLEYLOAD, kind=wx.ITEM_NORMAL,text='Pawley create',
1223	help='Initialize Pawley reflection list')
1224	self.PawleyEdit.Append(id=wxID_PAWLEYESTIMATE, kind=wx.ITEM_NORMAL,text='Pawley estimate',
1225	help='Estimate initial Pawley intensities')
1226	self.PawleyEdit.Append(id=wxID_PAWLEYUPDATE, kind=wx.ITEM_NORMAL,text='Pawley update',
1227	help='Update Pawley intensities with abs(Fobs) from reflection list')
1228	# self.PawleyEdit.Append(id=wxID_PAWLEYDELETE, kind=wx.ITEM_NORMAL,text='Pawley delete',
1229	# help='Delete selected Pawley reflection')
1230	self.PostfillDataMenu()
1231
1232	# Phase / Map peaks tab
1233	self.MapPeaksMenu = wx.MenuBar()
1234	self.PrefillDataMenu(self.MapPeaksMenu,helpType='Map peaks')
1235	self.MapPeaksEdit = wx.Menu(title='')
1236	self.MapPeaksMenu.Append(menu=self.MapPeaksEdit, title='Map peaks')
1237	self.MapPeaksEdit.Append(id=wxID_PEAKSMOVE, kind=wx.ITEM_NORMAL,text='Move peaks',
1238	help='Move selected peaks to atom list')
1239	self.MapPeaksEdit.Append(id=wxID_PEAKSVIEWPT, kind=wx.ITEM_NORMAL,text='View point',
1240	help='View point is 1st peak selected')
1241	self.MapPeaksEdit.Append(id=wxID_PEAKSDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.',
1242	help='Compute distance of selected peaks from view point')
1243	self.MapPeaksEdit.Append(id=wxID_SHOWBONDS, kind=wx.ITEM_NORMAL,text='Hide bonds',
1244	help='Hide or show bonds between peak positions')
1245	self.MapPeaksEdit.Append(id=wxID_PEAKSDA, kind=wx.ITEM_NORMAL,text='Calc dist/ang',
1246	help='Calculate distance or angle for selection')
1247	self.MapPeaksEdit.Append(id=wxID_FINDEQVPEAKS, kind=wx.ITEM_NORMAL,text='Equivalent peaks',
1248	help='Find equivalent peaks')
1249	self.MapPeaksEdit.Append(id=wxID_PEAKSUNIQUE, kind=wx.ITEM_NORMAL,text='Unique peaks',
1250	help='Select unique set')
1251	self.MapPeaksEdit.Append(id=wxID_PEAKSDELETE, kind=wx.ITEM_NORMAL,text='Delete peaks',
1252	help='Delete selected peaks')
1253	self.MapPeaksEdit.Append(id=wxID_PEAKSCLEAR, kind=wx.ITEM_NORMAL,text='Clear peaks',
1254	help='Clear the map peak list')
1255	self.PostfillDataMenu()
1256
1257	# Phase / Rigid bodies tab
1258	self.RigidBodiesMenu = wx.MenuBar()
1259	self.PrefillDataMenu(self.MapPeaksMenu,helpType='Rigid bodies')
1260	self.RigidBodiesEdit = wx.Menu(title='')
1261	self.RigidBodiesMenu.Append(menu=self.RigidBodiesEdit, title='Edit')
1262	self.RigidBodiesEdit.Append(id=wxID_ASSIGNATMS2RB, kind=wx.ITEM_NORMAL,text='Assign atoms to rigid body',
1263	help='Select & position rigid body in structure of existing atoms')
1264	self.RigidBodiesEdit.Append(id=wxID_AUTOFINDRESRB, kind=wx.ITEM_NORMAL,text='Auto find residues',
1265	help='Auto find of residue RBs in macromolecule')
1266	self.RigidBodiesEdit.Append(id=wxID_COPYRBPARMS, kind=wx.ITEM_NORMAL,text='Copy rigid body parms',
1267	help='Copy rigid body location & TLS parameters')
1268	self.RigidBodiesEdit.Append(id=wxID_GLOBALRESREFINE, kind=wx.ITEM_NORMAL,text='Global residue refine',
1269	help='Global setting of residue RB refinement flags')
1270	self.RigidBodiesEdit.Append(id=wxID_RBREMOVEALL, kind=wx.ITEM_NORMAL,text='Remove all rigid bodies',
1271	help='Remove all rigid body assignment for atoms')
1272	self.PostfillDataMenu()
1273
1274	# end of GSAS-II menu definitions
1275
1276	def _init_ctrls(self, parent,name=None,size=None,pos=None):
1277	wx.Frame.__init__(self,parent=parent,
1278	style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX \| wx.FRAME_FLOAT_ON_PARENT ,
1279	size=size,pos=pos,title='GSAS-II data display')
1280	self._init_menus()
1281	if name:
1282	self.SetLabel(name)
1283	self.Show()
1284
1285	def __init__(self,parent,frame,data=None,name=None, size=None,pos=None):
1286	self.G2frame = frame
1287	self._init_ctrls(parent,name,size,pos)
1288	self.data = data
1289	clientSize = wx.ClientDisplayRect()
1290	Size = self.GetSize()
1291	xPos = clientSize[2]-Size[0]
1292	self.SetPosition(wx.Point(xPos,clientSize[1]+250))
1293	self.AtomGrid = []
1294	self.selectedRow = 0
1295
1296	def setSizePosLeft(self,Width):
1297	clientSize = wx.ClientDisplayRect()
1298	Width[1] = min(Width[1],clientSize[2]-300)
1299	Width[0] = max(Width[0],300)
1300	self.SetSize(Width)
1301	# self.SetPosition(wx.Point(clientSize[2]-Width[0],clientSize[1]+250))
1302
1303	def Clear(self):
1304	self.ClearBackground()
1305	self.DestroyChildren()
1306
1307	################################################################################
1308	##### GSNotebook
1309	################################################################################
1310
1311	class GSNoteBook(wx.Notebook):
1312	def __init__(self, parent, name='',size = None):
1313	wx.Notebook.__init__(self, parent, -1, name=name, style= wx.BK_TOP)
1314	if size: self.SetSize(size)
1315
1316	def Clear(self):
1317	GSNoteBook.DeleteAllPages(self)
1318
1319	def FindPage(self,name):
1320	numPage = self.GetPageCount()
1321	for page in range(numPage):
1322	if self.GetPageText(page) == name:
1323	return page
1324
1325	################################################################################
1326	##### GSGrid
1327	################################################################################
1328
1329	class GSGrid(wg.Grid):
1330	def __init__(self, parent, name=''):
1331	wg.Grid.__init__(self,parent,-1,name=name)
1332	self.SetSize(parent.GetClientSize())
1333
1334	def Clear(self):
1335	wg.Grid.ClearGrid(self)
1336
1337	def SetCellStyle(self,r,c,color="white",readonly=True):
1338	self.SetCellBackgroundColour(r,c,color)
1339	self.SetReadOnly(r,c,isReadOnly=readonly)
1340
1341	def GetSelection(self):
1342	#this is to satisfy structure drawing stuff in G2plt when focus changes
1343	return None
1344
1345	################################################################################
1346	##### Table
1347	################################################################################
1348
1349	class Table(wg.PyGridTableBase):
1350	def __init__(self, data=[], rowLabels=None, colLabels=None, types = None):
1351	wg.PyGridTableBase.__init__(self)
1352	self.colLabels = colLabels
1353	self.rowLabels = rowLabels
1354	self.dataTypes = types
1355	self.data = data
1356
1357	def AppendRows(self, numRows=1):
1358	self.data.append([])
1359	return True
1360
1361	def CanGetValueAs(self, row, col, typeName):
1362	if self.dataTypes:
1363	colType = self.dataTypes[col].split(':')[0]
1364	if typeName == colType:
1365	return True
1366	else:
1367	return False
1368	else:
1369	return False
1370
1371	def CanSetValueAs(self, row, col, typeName):
1372	return self.CanGetValueAs(row, col, typeName)
1373
1374	def DeleteRow(self,pos):
1375	data = self.GetData()
1376	self.SetData([])
1377	new = []
1378	for irow,row in enumerate(data):
1379	if irow <> pos:
1380	new.append(row)
1381	self.SetData(new)
1382
1383	def GetColLabelValue(self, col):
1384	if self.colLabels:
1385	return self.colLabels[col]
1386
1387	def GetData(self):
1388	data = []
1389	for row in range(self.GetNumberRows()):
1390	data.append(self.GetRowValues(row))
1391	return data
1392
1393	def GetNumberCols(self):
1394	try:
1395	return len(self.colLabels)
1396	except TypeError:
1397	return None
1398
1399	def GetNumberRows(self):
1400	return len(self.data)
1401
1402	def GetRowLabelValue(self, row):
1403	if self.rowLabels:
1404	return self.rowLabels[row]
1405
1406	def GetColValues(self, col):
1407	data = []
1408	for row in range(self.GetNumberRows()):
1409	data.append(self.GetValue(row, col))
1410	return data
1411
1412	def GetRowValues(self, row):
1413	data = []
1414	for col in range(self.GetNumberCols()):
1415	data.append(self.GetValue(row, col))
1416	return data
1417
1418	def GetTypeName(self, row, col):
1419	try:
1420	return self.dataTypes[col]
1421	except TypeError:
1422	return None
1423
1424	def GetValue(self, row, col):
1425	try:
1426	return self.data[row][col]
1427	except IndexError:
1428	return None
1429
1430	def InsertRows(self, pos, rows):
1431	for row in range(rows):
1432	self.data.insert(pos,[])
1433	pos += 1
1434
1435	def IsEmptyCell(self,row,col):
1436	try:
1437	return not self.data[row][col]
1438	except IndexError:
1439	return True
1440
1441	def OnKeyPress(self, event):
1442	dellist = self.GetSelectedRows()
1443	if event.GetKeyCode() == wx.WXK_DELETE and dellist:
1444	grid = self.GetView()
1445	for i in dellist: grid.DeleteRow(i)
1446
1447	def SetColLabelValue(self, col, label):
1448	numcols = self.GetNumberCols()
1449	if col > numcols-1:
1450	self.colLabels.append(label)
1451	else:
1452	self.colLabels[col]=label
1453
1454	def SetData(self,data):
1455	for row in range(len(data)):
1456	self.SetRowValues(row,data[row])
1457
1458	def SetRowLabelValue(self, row, label):
1459	self.rowLabels[row]=label
1460
1461	def SetRowValues(self,row,data):
1462	self.data[row] = data
1463
1464	def SetValue(self, row, col, value):
1465	def innerSetValue(row, col, value):
1466	try:
1467	self.data[row][col] = value
1468	except TypeError:
1469	return
1470	except IndexError:
1471	print row,col,value
1472	# add a new row
1473	if row > self.GetNumberRows():
1474	self.data.append([''] * self.GetNumberCols())
1475	elif col > self.GetNumberCols():
1476	for row in range(self.GetNumberRows):
1477	self.data[row].append('')
1478	print self.data
1479	self.data[row][col] = value
1480	innerSetValue(row, col, value)
1481
1482	################################################################################
1483	#### Help
1484	################################################################################
1485
1486	def ShowHelp(helpType,frame):
1487	'''Called to bring up a web page for documentation.'''
1488	global htmlFirstUse
1489	# look up a definition for help info from dict
1490	helplink = helpLocDict.get(helpType)
1491	if helplink is None:
1492	# no defined link to use, create a default based on key
1493	helplink = 'gsasII.html#'+helpType.replace(' ','_')
1494	helplink = os.path.join(path2GSAS2,'help',helplink)
1495	if helpMode == 'internal':
1496	try:
1497	htmlPanel.LoadFile(helplink)
1498	htmlFrame.Raise()
1499	except:
1500	htmlFrame = wx.Frame(frame, -1, size=(610, 510))
1501	htmlFrame.Show(True)
1502	htmlFrame.SetTitle("HTML Window") # N.B. reset later in LoadFile
1503	htmlPanel = MyHtmlPanel(htmlFrame,-1)
1504	htmlPanel.LoadFile(helplink)
1505	else:
1506	pfx = "file://"
1507	if sys.platform.lower().startswith('win'):
1508	pfx = ''
1509	if htmlFirstUse:
1510	webbrowser.open_new(pfx+helplink)
1511	htmlFirstUse = False
1512	else:
1513	webbrowser.open(pfx+helplink, new=0, autoraise=True)
1514
1515	################################################################################
1516	##### Notebook
1517	################################################################################
1518
1519	def UpdateNotebook(G2frame,data):
1520
1521	def OnNoteBook(event):
1522	data = G2frame.dataDisplay.GetValue()
1523	G2frame.PatternTree.SetItemPyData(GetPatternTreeItemId(G2frame,G2frame.root,'Notebook'),data)
1524
1525	if G2frame.dataDisplay:
1526	G2frame.dataDisplay.Destroy()
1527	G2frame.dataFrame.SetLabel('Notebook')
1528	G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
1529	style=wx.TE_MULTILINE\|wx.TE_PROCESS_ENTER \| wx.TE_DONTWRAP)
1530	G2frame.dataDisplay.Bind(wx.EVT_TEXT_ENTER,OnNoteBook)
1531	G2frame.dataDisplay.Bind(wx.EVT_KILL_FOCUS,OnNoteBook)
1532	for line in data:
1533	G2frame.dataDisplay.AppendText(line+"\n")
1534	G2frame.dataDisplay.AppendText('Notebook entry @ '+time.ctime()+"\n")
1535	G2frame.dataFrame.setSizePosLeft([400,250])
1536
1537	################################################################################
1538	##### Controls
1539	################################################################################
1540
1541	def UpdateControls(G2frame,data):
1542	#patch
1543	if 'deriv type' not in data:
1544	data = {}
1545	data['deriv type'] = 'analytic Hessian'
1546	data['min dM/M'] = 0.0001
1547	data['shift factor'] = 1.
1548	data['max cyc'] = 3
1549	data['F**2'] = True
1550	data['minF/sig'] = 0
1551	if 'shift factor' not in data:
1552	data['shift factor'] = 1.
1553	if 'max cyc' not in data:
1554	data['max cyc'] = 3
1555	if 'F**2' not in data:
1556	data['F**2'] = True
1557	data['minF/sig'] = 0
1558	#end patch
1559
1560	def SeqSizer():
1561
1562	def OnSelectData(event):
1563	choices = ['All',]+GetPatternTreeDataNames(G2frame,['PWDR',])
1564	sel = []
1565	if 'Seq Data' in data:
1566	for item in data['Seq Data']:
1567	sel.append(choices.index(item))
1568	names = []
1569	dlg = wx.MultiChoiceDialog(G2frame,'Select data:','Sequential refinement',choices)
1570	dlg.SetSelections(sel)
1571	if dlg.ShowModal() == wx.ID_OK:
1572	sel = dlg.GetSelections()
1573	for i in sel: names.append(choices[i])
1574	if 'All' in names:
1575	names = choices[1:]
1576	data['Seq Data'] = names
1577	dlg.Destroy()
1578	reverseSel.Enable(True)
1579
1580	def OnReverse(event):
1581	data['Reverse Seq'] = reverseSel.GetValue()
1582
1583	seqSizer = wx.BoxSizer(wx.HORIZONTAL)
1584	seqSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Sequential Refinement Powder Data: '),0,wx.ALIGN_CENTER_VERTICAL)
1585	selSeqData = wx.Button(G2frame.dataDisplay,-1,label=' Select data')
1586	selSeqData.Bind(wx.EVT_BUTTON,OnSelectData)
1587	seqSizer.Add(selSeqData,0,wx.ALIGN_CENTER_VERTICAL)
1588	seqSizer.Add((5,0),0)
1589	reverseSel = wx.CheckBox(G2frame.dataDisplay,-1,label=' Reverse order?')
1590	reverseSel.Bind(wx.EVT_CHECKBOX,OnReverse)
1591	if 'Seq Data' not in data:
1592	reverseSel.Enable(False)
1593	if 'Reverse Seq' in data:
1594	reverseSel.SetValue(data['Reverse Seq'])
1595	seqSizer.Add(reverseSel,0,wx.ALIGN_CENTER_VERTICAL)
1596	return seqSizer
1597
1598	def LSSizer():
1599
1600	def OnDerivType(event):
1601	data['deriv type'] = derivSel.GetValue()
1602	derivSel.SetValue(data['deriv type'])
1603	wx.CallAfter(UpdateControls,G2frame,data)
1604
1605	def OnConvergence(event):
1606	try:
1607	value = max(1.e-9,min(1.0,float(Cnvrg.GetValue())))
1608	except ValueError:
1609	value = 0.0001
1610	data['min dM/M'] = value
1611	Cnvrg.SetValue('%.2g'%(value))
1612
1613	def OnMaxCycles(event):
1614	data['max cyc'] = int(maxCyc.GetValue())
1615	maxCyc.SetValue(str(data['max cyc']))
1616
1617	def OnFactor(event):
1618	try:
1619	value = min(max(float(Factr.GetValue()),0.00001),100.)
1620	except ValueError:
1621	value = 1.0
1622	data['shift factor'] = value
1623	Factr.SetValue('%.5f'%(value))
1624
1625	def OnFsqRef(event):
1626	data['F**2'] = fsqRef.GetValue()
1627
1628	def OnMinSig(event):
1629	try:
1630	value = min(max(float(minSig.GetValue()),0.),5.)
1631	except ValueError:
1632	value = 1.0
1633	data['minF/sig'] = value
1634	minSig.SetValue('%.2f'%(value))
1635
1636	LSSizer = wx.FlexGridSizer(cols=4,vgap=5,hgap=5)
1637	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement derivatives: '),0,wx.ALIGN_CENTER_VERTICAL)
1638	Choice=['analytic Jacobian','numeric','analytic Hessian']
1639	derivSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['deriv type'],choices=Choice,
1640	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1641	derivSel.SetValue(data['deriv type'])
1642	derivSel.Bind(wx.EVT_COMBOBOX, OnDerivType)
1643
1644	LSSizer.Add(derivSel,0,wx.ALIGN_CENTER_VERTICAL)
1645	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Min delta-M/M: '),0,wx.ALIGN_CENTER_VERTICAL)
1646	Cnvrg = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2g'%(data['min dM/M']),style=wx.TE_PROCESS_ENTER)
1647	Cnvrg.Bind(wx.EVT_TEXT_ENTER,OnConvergence)
1648	Cnvrg.Bind(wx.EVT_KILL_FOCUS,OnConvergence)
1649	LSSizer.Add(Cnvrg,0,wx.ALIGN_CENTER_VERTICAL)
1650	if 'Hessian' in data['deriv type']:
1651	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Max cycles: '),0,wx.ALIGN_CENTER_VERTICAL)
1652	Choice = ['0','1','2','3','5','10','15','20']
1653	maxCyc = wx.ComboBox(parent=G2frame.dataDisplay,value=str(data['max cyc']),choices=Choice,
1654	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1655	maxCyc.SetValue(str(data['max cyc']))
1656	maxCyc.Bind(wx.EVT_COMBOBOX, OnMaxCycles)
1657	LSSizer.Add(maxCyc,0,wx.ALIGN_CENTER_VERTICAL)
1658	else:
1659	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Initial shift factor: '),0,wx.ALIGN_CENTER_VERTICAL)
1660	Factr = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.5f'%(data['shift factor']),style=wx.TE_PROCESS_ENTER)
1661	Factr.Bind(wx.EVT_TEXT_ENTER,OnFactor)
1662	Factr.Bind(wx.EVT_KILL_FOCUS,OnFactor)
1663	LSSizer.Add(Factr,0,wx.ALIGN_CENTER_VERTICAL)
1664	if G2frame.Sngl:
1665	LSSizer.Add((1,0),)
1666	LSSizer.Add((1,0),)
1667	fsqRef = wx.CheckBox(G2frame.dataDisplay,-1,label='Refine HKLF as F^2? ')
1668	fsqRef.SetValue(data['F**2'])
1669	fsqRef.Bind(wx.EVT_CHECKBOX,OnFsqRef)
1670	LSSizer.Add(fsqRef,0,wx.ALIGN_CENTER_VERTICAL)
1671	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,label='Min obs/sig (0-5): '),0,wx.ALIGN_CENTER_VERTICAL)
1672	minSig = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2f'%(data['minF/sig']),style=wx.TE_PROCESS_ENTER)
1673	minSig.Bind(wx.EVT_TEXT_ENTER,OnMinSig)
1674	minSig.Bind(wx.EVT_KILL_FOCUS,OnMinSig)
1675	LSSizer.Add(minSig,0,wx.ALIGN_CENTER_VERTICAL)
1676	return LSSizer
1677
1678	if G2frame.dataDisplay:
1679	G2frame.dataDisplay.Destroy()
1680	if not G2frame.dataFrame.GetStatusBar():
1681	Status = G2frame.dataFrame.CreateStatusBar()
1682	Status.SetStatusText('')
1683	G2frame.dataFrame.SetLabel('Controls')
1684	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1685	SetDataMenuBar(G2frame,G2frame.dataFrame.ControlsMenu)
1686	mainSizer = wx.BoxSizer(wx.VERTICAL)
1687	mainSizer.Add((5,5),0)
1688	mainSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement Controls:'),0,wx.ALIGN_CENTER_VERTICAL)
1689	mainSizer.Add(LSSizer())
1690	mainSizer.Add((5,5),0)
1691	mainSizer.Add(SeqSizer())
1692	mainSizer.Add((5,5),0)
1693
1694	mainSizer.Layout()
1695	G2frame.dataDisplay.SetSizer(mainSizer)
1696	G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame))
1697	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
1698
1699	################################################################################
1700	##### Comments
1701	################################################################################
1702
1703	def UpdateComments(G2frame,data):
1704
1705	if G2frame.dataDisplay:
1706	G2frame.dataDisplay.Destroy()
1707	G2frame.dataFrame.SetLabel('Comments')
1708	G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
1709	style=wx.TE_MULTILINE\|wx.TE_READONLY\|wx.TE_DONTWRAP)
1710	for line in data:
1711	G2frame.dataDisplay.AppendText(line+'\n')
1712	G2frame.dataFrame.setSizePosLeft([400,250])
1713
1714	################################################################################
1715	##### Sequential Results
1716	################################################################################
1717
1718	def UpdateSeqResults(G2frame,data):
1719	"""
1720	input:
1721	data - dictionary
1722	'histNames' - list of histogram names in order as processed by Sequential Refinement
1723	'varyList' - list of variables - identical over all refinements in sequence
1724	'histName' - dictionaries for all data sets processed:
1725	'variables'- result[0] from leastsq call
1726	'varyList' - list of variables; same as above
1727	'sig' - esds for variables
1728	'covMatrix' - covariance matrix from individual refinement
1729	'title' - histogram name; same as dict item name
1730	'newAtomDict' - new atom parameters after shifts applied
1731	'newCellDict' - new cell parameters after shifts to A0-A5 applied'
1732	"""
1733	if not data:
1734	print 'No sequential refinement results'
1735	return
1736	histNames = data['histNames']
1737
1738	def GetSampleParms():
1739	sampleParmDict = {'Temperature':[],'Pressure':[],'Humidity':[],'Voltage':[],'Force':[],}
1740	sampleParm = {}
1741	for name in histNames:
1742	Id = GetPatternTreeItemId(G2frame,G2frame.root,name)
1743	sampleData = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,Id,'Sample Parameters'))
1744	for item in sampleParmDict:
1745	sampleParmDict[item].append(sampleData[item])
1746	for item in sampleParmDict:
1747	frstValue = sampleParmDict[item][0]
1748	if np.any(np.array(sampleParmDict[item])-frstValue):
1749	sampleParm[item] = sampleParmDict[item]
1750	return sampleParm
1751
1752	def GetRwps():
1753	Rwps = []
1754	for name in histNames:
1755	Rwps.append(data[name]['Rvals']['Rwp'])
1756	return Rwps
1757
1758	def GetSigData(parm):
1759	sigData = []
1760	for name in histNames:
1761	sigList = data[name]['sig']
1762	if colLabels[parm] in atomList:
1763	sigData.append(sigList[colLabels.index(atomList[colLabels[parm]])-1])
1764	elif colLabels[parm] in cellList:
1765	sigData.append(sigList[colLabels.index(cellList[colLabels[parm]])-1])
1766	else:
1767	sigData.append(sigList[parm-1])
1768	return sigData
1769
1770	def Select(event):
1771	cols = G2frame.dataDisplay.GetSelectedCols()
1772	rows = G2frame.dataDisplay.GetSelectedRows()
1773	if cols:
1774	plotData = []
1775	plotSig = []
1776	plotNames = []
1777	for col in cols:
1778	plotData.append(G2frame.SeqTable.GetColValues(col))
1779	if col: #not Rwp
1780	plotSig.append(GetSigData(col))
1781	else:
1782	plotSig.append(0.0)
1783	plotNames.append(G2frame.SeqTable.GetColLabelValue(col))
1784	plotData = np.array(plotData)
1785	G2plt.PlotSeq(G2frame,plotData,plotSig,plotNames,sampleParms)
1786	elif rows:
1787	name = histNames[rows[0]] #only does 1st one selected
1788	G2plt.PlotCovariance(G2frame,data[name])
1789
1790	def OnSaveSelSeq(event):
1791	cols = G2frame.dataDisplay.GetSelectedCols()
1792	if cols:
1793	numRows = G2frame.SeqTable.GetNumberRows()
1794	dataNames = []
1795	saveNames = [G2frame.SeqTable.GetRowLabelValue(r) for r in range(numRows)]
1796	saveData = []
1797	for col in cols:
1798	dataNames.append(G2frame.SeqTable.GetColLabelValue(col))
1799	if col: #not Rwp
1800	saveData.append(zip(G2frame.SeqTable.GetColValues(col),GetSigData(col)))
1801	else:
1802	saveData.append(zip(G2frame.SeqTable.GetColValues(col),0.0))
1803	lenName = len(saveNames[0])
1804	saveData = np.swapaxes(np.array(saveData),0,1)
1805	dlg = wx.FileDialog(G2frame, 'Choose text output file for your selection', '.', '',
1806	'Text output file (.txt)\|.txt',wx.FD_SAVE\|wx.FD_OVERWRITE_PROMPT\|wx.CHANGE_DIR)
1807	try:
1808	if dlg.ShowModal() == wx.ID_OK:
1809	SeqTextFile = dlg.GetPath()
1810	SeqTextFile = G2IO.FileDlgFixExt(dlg,SeqTextFile)
1811	SeqFile = open(SeqTextFile,'w')
1812	line = ' %s '%('name'.center(lenName))
1813	for item in dataNames:
1814	line += ' %12s %12s '%(item.center(12),'esd'.center(12))
1815	line += '\n'
1816	SeqFile.write(line)
1817	for i,item in enumerate(saveData):
1818	line = " '%s' "%(saveNames[i])
1819	for val,esd in item:
1820	line += ' %12.6f %12.6f '%(val,esd)
1821	line += '\n'
1822	SeqFile.write(line)
1823	SeqFile.close()
1824	finally:
1825	dlg.Destroy()
1826
1827
1828	if G2frame.dataDisplay:
1829	G2frame.dataDisplay.Destroy()
1830	atomList = {}
1831	newAtomDict = data[histNames[0]]['newAtomDict']
1832	for item in newAtomDict:
1833	if item in data['varyList']:
1834	atomList[newAtomDict[item][0]] = item
1835	cellList = {}
1836	newCellDict = data[histNames[0]]['newCellDict']
1837	for item in newCellDict:
1838	if item in data['varyList']:
1839	cellList[newCellDict[item][0]] = item
1840	sampleParms = GetSampleParms()
1841	Rwps = GetRwps()
1842	SetDataMenuBar(G2frame,G2frame.dataFrame.SequentialMenu)
1843	G2frame.dataFrame.SetLabel('Sequental refinement results')
1844	G2frame.dataFrame.CreateStatusBar()
1845	G2frame.dataFrame.Bind(wx.EVT_MENU, OnSaveSelSeq, id=wxID_SAVESEQSEL)
1846	colLabels = ['Rwp',]+data['varyList']+atomList.keys()+cellList.keys()
1847	Types = (len(data['varyList']+atomList.keys()+cellList.keys())+1)*[wg.GRID_VALUE_FLOAT,]
1848	seqList = [[Rwps[i],]+list(data[name]['variables']) for i,name in enumerate(histNames)]
1849	for i,item in enumerate(seqList):
1850	newAtomDict = data[histNames[i]]['newAtomDict']
1851	newCellDict = data[histNames[i]]['newCellDict']
1852	item += [newAtomDict[atomList[parm]][1] for parm in atomList.keys()]
1853	item += [newCellDict[cellList[parm]][1] for parm in cellList.keys()]
1854	G2frame.SeqTable = Table(seqList,colLabels=colLabels,rowLabels=histNames,types=Types)
1855	G2frame.dataDisplay = GSGrid(parent=G2frame.dataFrame)
1856	G2frame.dataDisplay.SetTable(G2frame.SeqTable, True)
1857	G2frame.dataDisplay.EnableEditing(False)
1858	G2frame.dataDisplay.Bind(wg.EVT_GRID_LABEL_LEFT_DCLICK, Select)
1859	G2frame.dataDisplay.SetRowLabelSize(8*len(histNames[0])) #pretty arbitrary 8
1860	G2frame.dataDisplay.SetMargins(0,0)
1861	G2frame.dataDisplay.AutoSizeColumns(True)
1862	G2frame.dataFrame.setSizePosLeft([700,350])
1863
1864	################################################################################
1865	##### Main PWDR panel
1866	################################################################################
1867
1868	def UpdatePWHKPlot(G2frame,kind,item):
1869
1870	def OnErrorAnalysis(event):
1871	G2plt.PlotDeltSig(G2frame,kind)
1872
1873	def OnWtFactor(event):
1874	try:
1875	val = float(wtval.GetValue())
1876	except ValueError:
1877	val = data[0]['wtFactor']
1878	data[0]['wtFactor'] = val
1879	wtval.SetValue('%.3f'%(val))
1880
1881	data = G2frame.PatternTree.GetItemPyData(item)
1882	if 'wtFactor' not in data[0]:
1883	data[0] = {'wtFactor':1.0}
1884	if G2frame.dataDisplay:
1885	G2frame.dataDisplay.Destroy()
1886	SetDataMenuBar(G2frame,G2frame.dataFrame.ErrorMenu)
1887	G2frame.dataFrame.Bind(wx.EVT_MENU,OnErrorAnalysis, id=wxID_PWDANALYSIS)
1888	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1889
1890	mainSizer = wx.BoxSizer(wx.VERTICAL)
1891	mainSizer.Add((5,5),)
1892	wtSizer = wx.BoxSizer(wx.HORIZONTAL)
1893	wtSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' Weight factor: '),0,wx.ALIGN_CENTER_VERTICAL)
1894	wtval = wx.TextCtrl(G2frame.dataDisplay,-1,'%.3f'%(data[0]['wtFactor']),style=wx.TE_PROCESS_ENTER)
1895	wtval.Bind(wx.EVT_TEXT_ENTER,OnWtFactor)
1896	wtval.Bind(wx.EVT_KILL_FOCUS,OnWtFactor)
1897	wtSizer.Add(wtval,0,wx.ALIGN_CENTER_VERTICAL)
1898	mainSizer.Add(wtSizer)
1899	mainSizer.Layout()
1900	G2frame.dataDisplay.SetSizer(mainSizer)
1901	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
1902	G2frame.PatternTree.SetItemPyData(item,data)
1903	if kind == 'PWDR':
1904	G2plt.PlotPatterns(G2frame,newPlot=True)
1905	elif kind == 'HKLF':
1906	G2plt.PlotSngl(G2frame,newPlot=True)
1907
1908	################################################################################
1909	##### HKLF controls
1910	################################################################################
1911
1912	def UpdateHKLControls(G2frame,data):
1913
1914	def OnScaleSlider(event):
1915	scale = int(scaleSel.GetValue())/1000.
1916	scaleSel.SetValue(int(scale*1000.))
1917	data['Scale'] = scale*1.
1918	G2plt.PlotSngl(G2frame)
1919
1920	def OnLayerSlider(event):
1921	layer = layerSel.GetValue()
1922	data['Layer'] = layer
1923	G2plt.PlotSngl(G2frame)
1924
1925	def OnSelZone(event):
1926	data['Zone'] = zoneSel.GetValue()
1927	izone = zones.index(data['Zone'])
1928	layerSel.SetRange(maxValue=HKLmax[izone],minValue=HKLmin[izone])
1929	G2plt.PlotSngl(G2frame,newPlot=True)
1930
1931	def OnSelType(event):
1932	data['Type'] = typeSel.GetValue()
1933	G2plt.PlotSngl(G2frame)
1934
1935	def SetStatusLine():
1936	Status.SetStatusText("")
1937
1938	if G2frame.dataDisplay:
1939	G2frame.dataDisplay.Destroy()
1940	if not G2frame.dataFrame.GetStatusBar():
1941	Status = G2frame.dataFrame.CreateStatusBar()
1942	SetStatusLine()
1943	zones = ['100','010','001']
1944	HKLmax = data['HKLmax']
1945	HKLmin = data['HKLmin']
1946	typeChoices = ['Fosq','Fo','\|DFsq\|/sig','\|DFsq\|>sig','\|DFsq\|>3sig']
1947	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1948	SetDataMenuBar(G2frame)
1949	G2frame.dataFrame.SetTitle('HKL Plot Controls')
1950	mainSizer = wx.BoxSizer(wx.VERTICAL)
1951	mainSizer.Add((5,10),0)
1952
1953	scaleSizer = wx.BoxSizer(wx.HORIZONTAL)
1954	scaleSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Scale'),0,
1955	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
1956	scaleSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=1000,minValue=1,
1957	style=wx.SL_HORIZONTAL,value=int(data['Scale']*10))
1958	scaleSizer.Add(scaleSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
1959	scaleSel.SetLineSize(10)
1960	scaleSel.SetPageSize(10)
1961	scaleSel.Bind(wx.EVT_SLIDER, OnScaleSlider)
1962	mainSizer.Add(scaleSizer,0,wx.EXPAND\|wx.RIGHT)
1963	mainSizer.Add((0,10),0)
1964
1965	zoneSizer = wx.BoxSizer(wx.HORIZONTAL)
1966	zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Zone '),0,
1967	wx.ALIGN_CENTER_VERTICAL)
1968	zoneSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Zone'],choices=['100','010','001'],
1969	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1970	zoneSel.Bind(wx.EVT_COMBOBOX, OnSelZone)
1971	zoneSizer.Add(zoneSel,0,wx.ALIGN_CENTER_VERTICAL)
1972	zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Plot type '),0,
1973	wx.ALIGN_CENTER_VERTICAL)
1974	typeSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Type'],choices=typeChoices,
1975	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1976	typeSel.Bind(wx.EVT_COMBOBOX, OnSelType)
1977	zoneSizer.Add(typeSel,0,wx.ALIGN_CENTER_VERTICAL)
1978	zoneSizer.Add((10,0),0)
1979	mainSizer.Add(zoneSizer,0,wx.EXPAND\|wx.RIGHT)
1980	mainSizer.Add((0,10),0)
1981
1982	izone = zones.index(data['Zone'])
1983	layerSizer = wx.BoxSizer(wx.HORIZONTAL)
1984	layerSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Layer'),0,
1985	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
1986	layerSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=HKLmax[izone],minValue=HKLmin[izone],
1987	style=wx.SL_HORIZONTAL\|wx.SL_AUTOTICKS\|wx.SL_LABELS,value=0)
1988	layerSel.SetLineSize(1)
1989	layerSel.SetPageSize(1)
1990	layerSel.Bind(wx.EVT_SLIDER, OnLayerSlider)
1991	layerSizer.Add(layerSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
1992	layerSizer.Add((10,0),0)
1993	mainSizer.Add(layerSizer,1,wx.EXPAND\|wx.RIGHT)
1994
1995
1996	mainSizer.Layout()
1997	G2frame.dataDisplay.SetSizer(mainSizer)
1998	G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame))
1999	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
2000
2001	################################################################################
2002	##### Pattern tree routines
2003	################################################################################
2004
2005	def GetPatternTreeDataNames(G2frame,dataTypes):
2006	names = []
2007	item, cookie = G2frame.PatternTree.GetFirstChild(G2frame.root)
2008	while item:
2009	name = G2frame.PatternTree.GetItemText(item)
2010	if name[:4] in dataTypes:
2011	names.append(name)
2012	item, cookie = G2frame.PatternTree.GetNextChild(G2frame.root, cookie)
2013	return names
2014
2015	def GetPatternTreeItemId(G2frame, parentId, itemText):
2016	item, cookie = G2frame.PatternTree.GetFirstChild(parentId)
2017	while item:
2018	if G2frame.PatternTree.GetItemText(item) == itemText:
2019	return item
2020	item, cookie = G2frame.PatternTree.GetNextChild(parentId, cookie)
2021	return 0
2022
2023	def MovePatternTreeToGrid(G2frame,item):
2024
2025	# print G2frame.PatternTree.GetItemText(item)
2026
2027	oldPage = 0
2028	if G2frame.dataFrame:
2029	SetDataMenuBar(G2frame)
2030	if G2frame.dataFrame.GetLabel() == 'Comments':
2031	try:
2032	data = [G2frame.dataDisplay.GetValue()]
2033	G2frame.dataDisplay.Clear()
2034	Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Comments')
2035	if Id: G2frame.PatternTree.SetItemPyData(Id,data)
2036	except: #clumsy but avoids dead window problem when opening another project
2037	pass
2038	elif G2frame.dataFrame.GetLabel() == 'Notebook':
2039	try:
2040	data = [G2frame.dataDisplay.GetValue()]
2041	G2frame.dataDisplay.Clear()
2042	Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Notebook')
2043	if Id: G2frame.PatternTree.SetItemPyData(Id,data)
2044	except: #clumsy but avoids dead window problem when opening another project
2045	pass
2046	elif 'Phase Data for' in G2frame.dataFrame.GetLabel():
2047	if G2frame.dataDisplay:
2048	oldPage = G2frame.dataDisplay.GetSelection()
2049	G2frame.dataFrame.Clear()
2050	G2frame.dataFrame.SetLabel('')
2051	else:
2052	#create the frame for the data item window
2053	G2frame.dataFrame = DataFrame(parent=G2frame.mainPanel,frame=G2frame)
2054
2055	G2frame.dataFrame.Raise()
2056	G2frame.PickId = 0
2057	parentID = G2frame.root
2058	for i in G2frame.ExportPattern: i.Enable(False)
2059	defWid = [250,150]
2060	if item != G2frame.root:
2061	parentID = G2frame.PatternTree.GetItemParent(item)
2062	if G2frame.PatternTree.GetItemParent(item) == G2frame.root:
2063	G2frame.PatternId = item
2064	G2frame.PickId = item
2065	if G2frame.PatternTree.GetItemText(item) == 'Notebook':
2066	SetDataMenuBar(G2frame,G2frame.dataFrame.DataNotebookMenu)
2067	G2frame.PatternId = 0
2068	for i in G2frame.ExportPattern: i.Enable(False)
2069	data = G2frame.PatternTree.GetItemPyData(item)
2070	UpdateNotebook(G2frame,data)
2071	elif G2frame.PatternTree.GetItemText(item) == 'Controls':
2072	G2frame.PatternId = 0
2073	for i in G2frame.ExportPattern: i.Enable(False)
2074	data = G2frame.PatternTree.GetItemPyData(item)
2075	if not data: #fill in defaults
2076	data = {
2077	#least squares controls
2078	'deriv type':'analytic Hessian','min dM/M':0.0001,'shift factor':1.0,'max cyc':3}
2079	G2frame.PatternTree.SetItemPyData(item,data)
2080	for i in G2frame.Refine: i.Enable(True)
2081	for i in G2frame.SeqRefine: i.Enable(True)
2082	UpdateControls(G2frame,data)
2083	elif G2frame.PatternTree.GetItemText(item) == 'Sequental results':
2084	data = G2frame.PatternTree.GetItemPyData(item)
2085	UpdateSeqResults(G2frame,data)
2086	elif G2frame.PatternTree.GetItemText(item) == 'Covariance':
2087	data = G2frame.PatternTree.GetItemPyData(item)
2088	G2frame.dataFrame.setSizePosLeft(defWid)
2089	text = ''
2090	if 'Rvals' in data:
2091	Nvars = len(data['varyList'])
2092	Rvals = data['Rvals']
2093	text = '\nFinal residuals: \nRw = %.3f%% \nchi**2 = %.1f \nGOF = %.2f'%(Rvals['Rwp'],Rvals['chisq'],Rvals['GOF'])
2094	text += '\nNobs = %d \nNvals = %d'%(Rvals['Nobs'],Nvars)
2095	if 'lamMax' in Rvals:
2096	text += '\nlog10 MaxLambda = %.1f'%(np.log10(Rvals['lamMax']))
2097	wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
2098	value='See plot window for covariance display'+text,style=wx.TE_MULTILINE)
2099	G2plt.PlotCovariance(G2frame,data)
2100	elif G2frame.PatternTree.GetItemText(item) == 'Constraints':
2101	data = G2frame.PatternTree.GetItemPyData(item)
2102	G2cnstG.UpdateConstraints(G2frame,data)
2103	elif G2frame.PatternTree.GetItemText(item) == 'Rigid bodies':
2104	data = G2frame.PatternTree.GetItemPyData(item)
2105	G2cnstG.UpdateRigidBodies(G2frame,data)
2106	elif G2frame.PatternTree.GetItemText(item) == 'Restraints':
2107	data = G2frame.PatternTree.GetItemPyData(item)
2108	Phases = G2frame.GetPhaseData()
2109	phase = ''
2110	phaseName = ''
2111	if Phases:
2112	phaseName = Phases.keys()[0]
2113	G2frame.dataFrame.setSizePosLeft(defWid)
2114	G2restG.UpdateRestraints(G2frame,data,Phases,phaseName)
2115	elif 'IMG' in G2frame.PatternTree.GetItemText(item):
2116	G2frame.Image = item
2117	G2plt.PlotImage(G2frame,newPlot=True)
2118	elif 'PKS' in G2frame.PatternTree.GetItemText(item):
2119	G2plt.PlotPowderLines(G2frame)
2120	elif 'PWDR' in G2frame.PatternTree.GetItemText(item):
2121	for i in G2frame.ExportPattern: i.Enable(True)
2122	UpdatePWHKPlot(G2frame,'PWDR',item)
2123	elif 'HKLF' in G2frame.PatternTree.GetItemText(item):
2124	G2frame.Sngl = item
2125	UpdatePWHKPlot(G2frame,'HKLF',item)
2126	elif 'PDF' in G2frame.PatternTree.GetItemText(item):
2127	G2frame.PatternId = item
2128	for i in G2frame.ExportPDF: i.Enable(True)
2129	G2plt.PlotISFG(G2frame,type='S(Q)')
2130	elif G2frame.PatternTree.GetItemText(item) == 'Phases':
2131	G2frame.dataFrame.setSizePosLeft(defWid)
2132	wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
2133	value='Select one phase to see its parameters')
2134	elif 'I(Q)' in G2frame.PatternTree.GetItemText(item):
2135	G2frame.PickId = item
2136	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2137	G2plt.PlotISFG(G2frame,type='I(Q)',newPlot=True)
2138	elif 'S(Q)' in G2frame.PatternTree.GetItemText(item):
2139	G2frame.PickId = item
2140	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2141	G2plt.PlotISFG(G2frame,type='S(Q)',newPlot=True)
2142	elif 'F(Q)' in G2frame.PatternTree.GetItemText(item):
2143	G2frame.PickId = item
2144	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2145	G2plt.PlotISFG(G2frame,type='F(Q)',newPlot=True)
2146	elif 'G(R)' in G2frame.PatternTree.GetItemText(item):
2147	G2frame.PickId = item
2148	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2149	G2plt.PlotISFG(G2frame,type='G(R)',newPlot=True)
2150	elif G2frame.PatternTree.GetItemText(parentID) == 'Phases':
2151	G2frame.PickId = item
2152	data = G2frame.PatternTree.GetItemPyData(item)
2153	G2phG.UpdatePhaseData(G2frame,item,data,oldPage)
2154	elif G2frame.PatternTree.GetItemText(item) == 'Comments':
2155	SetDataMenuBar(G2frame,G2frame.dataFrame.DataCommentsMenu)
2156	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2157	G2frame.PickId = item
2158	data = G2frame.PatternTree.GetItemPyData(item)
2159	UpdateComments(G2frame,data)
2160	elif G2frame.PatternTree.GetItemText(item) == 'Image Controls':
2161	G2frame.dataFrame.SetTitle('Image Controls')
2162	G2frame.PickId = item
2163	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2164	masks = G2frame.PatternTree.GetItemPyData(
2165	GetPatternTreeItemId(G2frame,G2frame.Image, 'Masks'))
2166	data = G2frame.PatternTree.GetItemPyData(item)
2167	G2imG.UpdateImageControls(G2frame,data,masks)
2168	G2plt.PlotImage(G2frame)
2169	elif G2frame.PatternTree.GetItemText(item) == 'Masks':
2170	G2frame.dataFrame.SetTitle('Masks')
2171	G2frame.PickId = item
2172	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2173	data = G2frame.PatternTree.GetItemPyData(item)
2174	G2imG.UpdateMasks(G2frame,data)
2175	G2plt.PlotImage(G2frame)
2176	elif G2frame.PatternTree.GetItemText(item) == 'Stress/Strain':
2177	G2frame.dataFrame.SetTitle('Stress/Strain')
2178	G2frame.PickId = item
2179	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2180	data = G2frame.PatternTree.GetItemPyData(item)
2181	G2imG.UpdateStressStrain(G2frame,data)
2182	G2plt.PlotImage(G2frame)
2183	elif G2frame.PatternTree.GetItemText(item) == 'HKL Plot Controls':
2184	G2frame.PickId = item
2185	G2frame.Sngl = G2frame.PatternTree.GetItemParent(item)
2186	data = G2frame.PatternTree.GetItemPyData(item)
2187	UpdateHKLControls(G2frame,data)
2188	G2plt.PlotSngl(G2frame)
2189	elif G2frame.PatternTree.GetItemText(item) == 'PDF Controls':
2190	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2191	for i in G2frame.ExportPDF: i.Enable(True)
2192	G2frame.PickId = item
2193	data = G2frame.PatternTree.GetItemPyData(item)
2194	G2pdG.UpdatePDFGrid(G2frame,data)
2195	G2plt.PlotISFG(G2frame,type='I(Q)')
2196	G2plt.PlotISFG(G2frame,type='S(Q)')
2197	G2plt.PlotISFG(G2frame,type='F(Q)')
2198	G2plt.PlotISFG(G2frame,type='G(R)')
2199	elif G2frame.PatternTree.GetItemText(item) == 'Peak List':
2200	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2201	for i in G2frame.ExportPeakList: i.Enable(True)
2202	G2frame.PickId = item
2203	data = G2frame.PatternTree.GetItemPyData(item)
2204	G2pdG.UpdatePeakGrid(G2frame,data)
2205	G2plt.PlotPatterns(G2frame)
2206	elif G2frame.PatternTree.GetItemText(item) == 'Background':
2207	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2208	G2frame.PickId = item
2209	data = G2frame.PatternTree.GetItemPyData(item)
2210	G2pdG.UpdateBackground(G2frame,data)
2211	G2plt.PlotPatterns(G2frame)
2212	elif G2frame.PatternTree.GetItemText(item) == 'Limits':
2213	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2214	G2frame.PickId = item
2215	data = G2frame.PatternTree.GetItemPyData(item)
2216	G2pdG.UpdateLimitsGrid(G2frame,data)
2217	G2plt.PlotPatterns(G2frame)
2218	elif G2frame.PatternTree.GetItemText(item) == 'Instrument Parameters':
2219	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2220	G2frame.PickId = item
2221	data = G2frame.PatternTree.GetItemPyData(item)[0]
2222	G2pdG.UpdateInstrumentGrid(G2frame,data)
2223	G2plt.PlotPeakWidths(G2frame)
2224	elif G2frame.PatternTree.GetItemText(item) == 'Sample Parameters':
2225	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2226	G2frame.PickId = item
2227	data = G2frame.PatternTree.GetItemPyData(item)
2228
2229	if 'Temperature' not in data: #temp fix for old gpx files
2230	data = {'Scale':[1.0,True],'Type':'Debye-Scherrer','Absorption':[0.0,False],'DisplaceX':[0.0,False],
2231	'DisplaceY':[0.0,False],'Diffuse':[],'Temperature':300.,'Pressure':1.0,'Humidity':0.0,'Voltage':0.0,
2232	'Force':0.0,'Gonio. radius':200.0}
2233	G2frame.PatternTree.SetItemPyData(item,data)
2234
2235	G2pdG.UpdateSampleGrid(G2frame,data)
2236	G2plt.PlotPatterns(G2frame)
2237	elif G2frame.PatternTree.GetItemText(item) == 'Index Peak List':
2238	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2239	for i in G2frame.ExportPeakList: i.Enable(True)
2240	G2frame.PickId = item
2241	data = G2frame.PatternTree.GetItemPyData(item)
2242	G2pdG.UpdateIndexPeaksGrid(G2frame,data)
2243	if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId):
2244	G2plt.PlotPowderLines(G2frame)
2245	else:
2246	G2plt.PlotPatterns(G2frame)
2247	elif G2frame.PatternTree.GetItemText(item) == 'Unit Cells List':
2248	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2249	G2frame.PickId = item
2250	data = G2frame.PatternTree.GetItemPyData(item)
2251	if not data:
2252	data.append([0,0.0,4,25.0,0,'P1',1,1,1,90,90,90]) #zero error flag, zero value, max Nc/No, start volume
2253	data.append([0,0,0,0,0,0,0,0,0,0,0,0,0,0]) #Bravais lattice flags
2254	data.append([]) #empty cell list
2255	data.append([]) #empty dmin
2256	G2frame.PatternTree.SetItemPyData(item,data)
2257	G2pdG.UpdateUnitCellsGrid(G2frame,data)
2258	if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId):
2259	G2plt.PlotPowderLines(G2frame)
2260	else:
2261	G2plt.PlotPatterns(G2frame)
2262	elif G2frame.PatternTree.GetItemText(item) == 'Reflection Lists': #powder reflections
2263	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2264	G2frame.PickId = item
2265	data = G2frame.PatternTree.GetItemPyData(item)
2266	G2frame.RefList = ''
2267	if len(data):
2268	G2frame.RefList = data.keys()[0]
2269	G2pdG.UpdateReflectionGrid(G2frame,data)
2270	G2plt.PlotPatterns(G2frame)
2271	elif G2frame.PatternTree.GetItemText(item) == 'Reflection List': #HKLF reflections
2272	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2273	name = G2frame.PatternTree.GetItemText(G2frame.PatternId)
2274	data = G2frame.PatternTree.GetItemPyData(G2frame.PatternId)
2275	G2pdG.UpdateReflectionGrid(G2frame,data,HKLF=True,Name=name)
2276
2277	def SetDataMenuBar(G2frame,menu=None):
2278	'''Set the menu for the data frame. On the Mac put this
2279	menu for the data tree window instead.
2280
2281	Note that data frame items do not have menus, for these (menu=None)
2282	display a blank menu or on the Mac display the standard menu for
2283	the data tree window.
2284	'''
2285	if sys.platform == "darwin":
2286	if menu is None:
2287	G2frame.SetMenuBar(G2frame.GSASIIMenu)
2288	else:
2289	G2frame.SetMenuBar(menu)
2290	else:
2291	if menu is None:
2292	G2frame.dataFrame.SetMenuBar(G2frame.dataFrame.BlankMenu)
2293	else:
2294	G2frame.dataFrame.SetMenuBar(menu)

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