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source: trunk/GSASIIgrid.py @ 863

Last change on this file since 863 was 863, checked in by vondreele, 11 years ago
fix to notebook & comment (not allowed) editing avoid a dead window problem with comments/notebook fix atom editing problems with no rigid bodies work on help text
Property svn:eol-style set to `native` Property svn:keywords set to `Date Author Revision URL Id`
File size: 102.2 KB

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1	# -- coding: utf-8 --
2	#GSASIIgrid - data display routines
3	########### SVN repository information ###################
4	# $Date: 2013-03-13 15:43:09 +0000 (Wed, 13 Mar 2013) $
5	# $Author: vondreele $
6	# $Revision: 863 $
7	# $URL: trunk/GSASIIgrid.py $
8	# $Id: GSASIIgrid.py 863 2013-03-13 15:43:09Z 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: 863 $")
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	info.Description = '''
595	General Structure Analysis System - GSAS-II
596	'''
597	wx.AboutBox(info)
598
599	def OnCheckUpdates(self,event):
600	'''Check if the GSAS-II repository has an update for the current source files
601	and perform that update if requested.
602	'''
603	if not GSASIIpath.whichsvn():
604	dlg = wx.MessageDialog(self,'No Subversion','Cannot update GSAS-II because subversion (svn) '+
605	'was not found.'
606	,wx.OK)
607	dlg.ShowModal()
608	return
609	wx.BeginBusyCursor()
610	local = GSASIIpath.svnGetRev()
611	if local is None:
612	wx.EndBusyCursor()
613	dlg = wx.MessageDialog(self.frame,
614	'Unable to run subversion on the GSAS-II current directory. Is GSAS-II installed correctly?',
615	'Subversion error',
616	wx.OK)
617	dlg.ShowModal()
618	return
619	print 'Installed GSAS-II version: '+local
620	repos = GSASIIpath.svnGetRev(local=False)
621	wx.EndBusyCursor()
622	if repos is None:
623	dlg = wx.MessageDialog(self.frame,
624	'Unable to access the GSAS-II server. Is this computer on the internet?',
625	'Server unavailable',
626	wx.OK)
627	dlg.ShowModal()
628	return
629	print 'GSAS-II version on server: '+repos
630	if local == repos:
631	dlg = wx.MessageDialog(self.frame,
632	'GSAS-II is up-to-date. Version '+local+' is already loaded.',
633	'GSAS-II Up-to-date',
634	wx.OK)
635	dlg.ShowModal()
636	return
637	mods = GSASIIpath.svnFindLocalChanges()
638	if mods:
639	dlg = wx.MessageDialog(self.frame,
640	'You have version '+local+
641	' of GSAS-II installed, but the current version is '+repos+
642	'. However, you have modified '+str(len(mods))+
643	' file(s) on your local computer have been modified.'
644	' Updating could wipe out your local changes. Press OK to start an update:',
645	'Local GSAS-II Mods',
646	wx.OK\|wx.CANCEL)
647	if dlg.ShowModal() != wx.ID_OK: return
648	else:
649	dlg = wx.MessageDialog(self.frame,
650	'You have version '+local+
651	' of GSAS-II installed, but the current version is '+repos+
652	'. Press OK to start an update:',
653	'GSAS-II Updates',
654	wx.OK\|wx.CANCEL)
655	if dlg.ShowModal() != wx.ID_OK: return
656	print 'start updates'
657	wx.BeginBusyCursor()
658	moddict = GSASIIpath.svnUpdateDir()
659	wx.EndBusyCursor()
660	if moddict is None:
661	dlg = wx.MessageDialog(self.frame,
662	'Error accessing the GSAS-II server or performing the update. '+
663	'Try again later or perform a manual update',
664	'Update Error',
665	wx.OK)
666	dlg.ShowModal()
667	return
668	modsbytype = {}
669	for key in moddict:
670	typ = moddict[key]
671	if modsbytype.get(typ) is None:
672	modsbytype[typ] = []
673	modsbytype[typ].append(key)
674	msg = 'Update was completed. Changes will take effect when GSAS-II is next updated. The following files were updated, ordered by status:'
675	for key in modsbytype:
676	msg += '\n' + key + ':\n\t'
677	for fil in modsbytype:
678	msg += fil + ', '
679	dlg = wx.MessageDialog(self.frame,msg, 'Update Completed', wx.OK)
680	dlg.ShowModal()
681	return
682
683	class AddHelp(wx.Menu):
684	'''This class a single entry for the help menu (used on the Mac only):
685	'Help on <helpType>': where helpType is a reference to an HTML page to
686	be opened
687	NOTE: the title when appending this menu should be '&Help' so the wx handles
688	it correctly. BHT
689	'''
690	def __init__(self,frame,helpType,helpLbl=None,title=''):
691	wx.Menu.__init__(self,title)
692	self.frame = frame
693	if helpLbl is None: helpLbl = helpType
694	# add a help item only when helpType is specified
695	helpobj = self.Append(text='Help on '+helpLbl,
696	id=wx.ID_ANY, kind=wx.ITEM_NORMAL)
697	frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj)
698	self.HelpById = helpType
699
700	def OnHelpById(self,event):
701	'''Called when Help on... is pressed in a menu. Brings up
702	a web page for documentation.
703	'''
704	ShowHelp(self.HelpById,self.frame)
705
706	class MyHtmlPanel(wx.Panel):
707	'''Defines a panel to display Help information'''
708	def __init__(self, frame, id):
709	self.frame = frame
710	wx.Panel.__init__(self, frame, id)
711	sizer = wx.BoxSizer(wx.VERTICAL)
712	back = wx.Button(self, -1, "Back")
713	back.Bind(wx.EVT_BUTTON, self.OnBack)
714	self.htmlwin = G2HtmlWindow(self, id, size=(750,450))
715	sizer.Add(self.htmlwin, 1,wx.EXPAND)
716	sizer.Add(back, 0, wx.ALIGN_LEFT, 0)
717	self.SetSizer(sizer)
718	sizer.Fit(frame)
719	self.Bind(wx.EVT_SIZE,self.OnSize)
720	def OnSize(self,event): #does the job but weirdly!!
721	anchor = self.htmlwin.GetOpenedAnchor()
722	if anchor:
723	self.htmlwin.ScrollToAnchor(anchor)
724	wx.CallAfter(self.htmlwin.ScrollToAnchor,anchor)
725	event.Skip()
726	def OnBack(self, event):
727	self.htmlwin.HistoryBack()
728	def LoadFile(self,file):
729	pos = file.rfind('#')
730	if pos != -1:
731	helpfile = file[:pos]
732	helpanchor = file[pos+1:]
733	else:
734	helpfile = file
735	helpanchor = None
736	self.htmlwin.LoadPage(helpfile)
737	if helpanchor is not None:
738	self.htmlwin.ScrollToAnchor(helpanchor)
739	xs,ys = self.htmlwin.GetViewStart()
740	self.htmlwin.Scroll(xs,ys-1)
741
742	class G2HtmlWindow(wx.html.HtmlWindow):
743	'''Displays help information in a primitive HTML browser type window
744	'''
745	def __init__(self, parent, args, *kwargs):
746	self.parent = parent
747	wx.html.HtmlWindow.__init__(self, parent, args, *kwargs)
748	def LoadPage(self, args, *kwargs):
749	wx.html.HtmlWindow.LoadPage(self, args, *kwargs)
750	self.TitlePage()
751	def OnLinkClicked(self, args, *kwargs):
752	wx.html.HtmlWindow.OnLinkClicked(self, args, *kwargs)
753	xs,ys = self.GetViewStart()
754	self.Scroll(xs,ys-1)
755	self.TitlePage()
756	def HistoryBack(self, args, *kwargs):
757	wx.html.HtmlWindow.HistoryBack(self, args, *kwargs)
758	self.TitlePage()
759	def TitlePage(self):
760	self.parent.frame.SetTitle(self.GetOpenedPage() + ' -- ' +
761	self.GetOpenedPageTitle())
762
763	class DataFrame(wx.Frame):
764	'''Create the dataframe window and its menus
765	'''
766	def PrefillDataMenu(self,menu,helpType,helpLbl=None,empty=False):
767	'''Create the "standard" part of data frame menus. Note that on Linux and
768	Windows, this is the standard help Menu. On Mac, this menu duplicates the
769	tree menu, but adds an extra help command for the data item and a separator.
770	'''
771	self.datamenu = menu
772	self.helpType = helpType
773	self.helpLbl = helpLbl
774	if sys.platform == "darwin": # mac
775	self.G2frame.FillMainMenu(menu) # add the data tree menu items
776	if not empty:
777	menu.Append(wx.Menu(title=''),title='\|') # add a separator
778	# menu.Append(AddHelp(self.G2frame,helpType=helpType, helpLbl=helpLbl),
779	# title='&Help')
780	#else: # other
781	# menu.Append(menu=MyHelp(self,helpType=helpType, helpLbl=helpLbl),
782	# title='&Help')
783
784	def PostfillDataMenu(self,empty=False):
785	'''Create the "standard" part of data frame menus. Note that on Linux and
786	Windows, this is the standard help Menu. On Mac, this menu duplicates the
787	tree menu, but adds an extra help command for the data item and a separator.
788	'''
789	menu = self.datamenu
790	helpType = self.helpType
791	helpLbl = self.helpLbl
792	if sys.platform == "darwin": # mac
793	if not empty:
794	menu.Append(wx.Menu(title=''),title='\|') # add another separator
795	menu.Append(AddHelp(self.G2frame,helpType=helpType, helpLbl=helpLbl),
796	title='&Help')
797	else: # other
798	menu.Append(menu=MyHelp(self,helpType=helpType, helpLbl=helpLbl),
799	title='&Help')
800
801	def _init_menus(self):
802
803	# define all GSAS-II data frame menus
804
805	# for use where no menu or data frame help is provided
806	self.BlankMenu = wx.MenuBar()
807
808	# Controls
809	self.ControlsMenu = wx.MenuBar()
810	self.PrefillDataMenu(self.ControlsMenu,helpType='Controls',empty=True)
811	self.PostfillDataMenu(empty=True)
812
813	# Notebook
814	self.DataNotebookMenu = wx.MenuBar()
815	self.PrefillDataMenu(self.DataNotebookMenu,helpType='Notebook',empty=True)
816	self.PostfillDataMenu(empty=True)
817
818	# Comments
819	self.DataCommentsMenu = wx.MenuBar()
820	self.PrefillDataMenu(self.DataCommentsMenu,helpType='Comments',empty=True)
821	self.PostfillDataMenu(empty=True)
822
823	# Constraints
824	self.ConstraintMenu = wx.MenuBar()
825	self.PrefillDataMenu(self.ConstraintMenu,helpType='Constraints')
826	self.ConstraintEdit = wx.Menu(title='')
827	self.ConstraintMenu.Append(menu=self.ConstraintEdit, title='Edit')
828	self.ConstraintEdit.Append(id=wxID_HOLDADD, kind=wx.ITEM_NORMAL,text='Add hold',
829	help='Add hold on a parameter value')
830	self.ConstraintEdit.Append(id=wxID_EQUIVADD, kind=wx.ITEM_NORMAL,text='Add equivalence',
831	help='Add equivalence between parameter values')
832	self.ConstraintEdit.Append(id=wxID_CONSTRAINTADD, kind=wx.ITEM_NORMAL,text='Add constraint',
833	help='Add constraint on parameter values')
834	self.ConstraintEdit.Append(id=wxID_FUNCTADD, kind=wx.ITEM_NORMAL,text='Add New Var',
835	help='Add variable composed of existing parameter')
836	self.PostfillDataMenu()
837
838	# Rigid bodies
839	self.VectorRBEdit = wx.Menu(title='')
840	self.VectorRBEdit.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Add rigid body',
841	help='Add vector rigid body')
842	self.ResidueRBMenu = wx.Menu(title='')
843	self.ResidueRBMenu.Append(id=wxID_RIGIDBODYIMPORT, kind=wx.ITEM_NORMAL,text='Import XYZ',
844	help='Import rigid body XYZ from file')
845	self.ResidueRBMenu.Append(id=wxID_RESIDUETORSSEQ, kind=wx.ITEM_NORMAL,text='Define sequence',
846	help='Define torsion sequence')
847	self.ResidueRBMenu.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Import residues',
848	help='Import residue rigid bodies from macro file')
849
850	self.RigidBodyMenu = wx.MenuBar()
851	self.PrefillDataMenu(self.RigidBodyMenu,helpType='Rigid bodies')
852	self.RigidBodyMenu.Append(menu=self.VectorRBEdit, title='Edit')
853	self.PostfillDataMenu()
854
855	# Restraints
856	self.RestraintEdit = wx.Menu(title='')
857	self.RestraintEdit.Append(id=wxID_RESTSELPHASE, kind=wx.ITEM_NORMAL,text='Select phase',
858	help='Select phase')
859	self.RestraintEdit.Append(id=wxID_RESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add restraints',
860	help='Add restraints')
861	self.RestraintEdit.Enable(wxID_RESTRAINTADD,True) #gets disenabled if macromolecule phase
862	self.RestraintEdit.Append(id=wxID_AARESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add residue restraints',
863	help='Add residue based restraints for macromolecules from macro file')
864	self.RestraintEdit.Enable(wxID_AARESTRAINTADD,False) #gets enabled if macromolecule phase
865	self.RestraintEdit.Append(id=wxID_AARESTRAINTPLOT, kind=wx.ITEM_NORMAL,text='Plot residue restraints',
866	help='Plot selected residue based restraints for macromolecules from macro file')
867	self.RestraintEdit.Enable(wxID_AARESTRAINTPLOT,False) #gets enabled if macromolecule phase
868	self.RestraintEdit.Append(id=wxID_RESRCHANGEVAL, kind=wx.ITEM_NORMAL,text='Change value',
869	help='Change observed value')
870	self.RestraintEdit.Append(id=wxID_RESTCHANGEESD, kind=wx.ITEM_NORMAL,text='Change esd',
871	help='Change esd in observed value')
872	self.RestraintEdit.Append(id=wxID_RESTDELETE, kind=wx.ITEM_NORMAL,text='Delete restraints',
873	help='Delete selected restraints')
874
875	self.RestraintMenu = wx.MenuBar()
876	self.PrefillDataMenu(self.RestraintMenu,helpType='Restraints')
877	self.RestraintMenu.Append(menu=self.RestraintEdit, title='Edit')
878	self.PostfillDataMenu()
879
880	# Sequential results
881	self.SequentialMenu = wx.MenuBar()
882	self.PrefillDataMenu(self.SequentialMenu,helpType='Sequential',helpLbl='Sequential Refinement')
883	self.SequentialFile = wx.Menu(title='')
884	self.SequentialMenu.Append(menu=self.SequentialFile, title='File')
885	self.SequentialFile.Append(id=wxID_SAVESEQSEL, kind=wx.ITEM_NORMAL,text='Save...',
886	help='Save selected sequential refinement results')
887	self.PostfillDataMenu()
888
889	# PDR
890	self.ErrorMenu = wx.MenuBar()
891	self.PrefillDataMenu(self.ErrorMenu,helpType='PWD Analysis',helpLbl='Powder Fit Error Analysis')
892	self.ErrorAnal = wx.Menu(title='')
893	self.ErrorMenu.Append(menu=self.ErrorAnal,title='Analysis')
894	self.ErrorAnal.Append(id=wxID_PWDANALYSIS,kind=wx.ITEM_NORMAL,text='Analyze',
895	help='Error analysis on powder pattern')
896	self.PostfillDataMenu()
897
898	# PDR / Limits
899	self.LimitMenu = wx.MenuBar()
900	self.PrefillDataMenu(self.LimitMenu,helpType='Limits')
901	self.LimitEdit = wx.Menu(title='')
902	self.LimitMenu.Append(menu=self.LimitEdit, title='File')
903	self.LimitEdit.Append(id=wxID_LIMITCOPY, kind=wx.ITEM_NORMAL,text='Copy',
904	help='Copy limits to other histograms')
905	self.PostfillDataMenu()
906
907	# PDR / Background
908	self.BackMenu = wx.MenuBar()
909	self.PrefillDataMenu(self.BackMenu,helpType='Background')
910	self.BackEdit = wx.Menu(title='')
911	self.BackMenu.Append(menu=self.BackEdit, title='File')
912	self.BackEdit.Append(id=wxID_BACKCOPY, kind=wx.ITEM_NORMAL,text='Copy',
913	help='Copy background parameters to other histograms')
914	self.BackEdit.Append(id=wxID_BACKFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
915	help='Copy background refinement flags to other histograms')
916	self.PostfillDataMenu()
917
918	# PDR / Instrument Parameters
919	self.InstMenu = wx.MenuBar()
920	self.PrefillDataMenu(self.InstMenu,helpType='Instrument Parameters')
921	self.InstEdit = wx.Menu(title='')
922	self.InstMenu.Append(menu=self.InstEdit, title='Operations')
923	self.InstEdit.Append(help='Reset instrument profile parameters to default',
924	id=wxID_INSTLOAD, kind=wx.ITEM_NORMAL,text='Load profile...')
925	self.InstEdit.Append(help='Load instrument profile parameters from file',
926	id=wxID_INSTSAVE, kind=wx.ITEM_NORMAL,text='Save profile...')
927	self.InstEdit.Append(help='Save instrument profile parameters to file',
928	id=wxID_INSTPRMRESET, kind=wx.ITEM_NORMAL,text='Reset profile')
929	self.InstEdit.Append(help='Copy instrument profile parameters to other histograms',
930	id=wxID_INSTCOPY, kind=wx.ITEM_NORMAL,text='Copy')
931	self.InstEdit.Append(id=wxID_INSTFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
932	help='Copy instrument parameter refinement flags to other histograms')
933	# self.InstEdit.Append(help='Change radiation type (Ka12 - synch)',
934	# id=wxID_CHANGEWAVETYPE, kind=wx.ITEM_NORMAL,text='Change radiation')
935	self.PostfillDataMenu()
936
937	# PDR / Sample Parameters
938	self.SampleMenu = wx.MenuBar()
939	self.PrefillDataMenu(self.SampleMenu,helpType='Sample Parameters')
940	self.SampleEdit = wx.Menu(title='')
941	self.SampleMenu.Append(menu=self.SampleEdit, title='File')
942	self.SampleEdit.Append(id=wxID_SAMPLELOAD, kind=wx.ITEM_NORMAL,text='Load',
943	help='Load sample parameters from file')
944	self.SampleEdit.Append(id=wxID_SAMPLESAVE, kind=wx.ITEM_NORMAL,text='Save',
945	help='Save sample parameters to file')
946	self.SampleEdit.Append(id=wxID_SAMPLECOPY, kind=wx.ITEM_NORMAL,text='Copy',
947	help='Copy refinable sample parameters to other histograms')
948	self.SampleEdit.Append(id=wxID_SAMPLEFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
949	help='Copy sample parameter refinement flags to other histograms')
950	self.PostfillDataMenu()
951
952	# PDR / Peak List
953	self.PeakMenu = wx.MenuBar()
954	self.PrefillDataMenu(self.PeakMenu,helpType='Peak List')
955	self.PeakEdit = wx.Menu(title='')
956	self.PeakMenu.Append(menu=self.PeakEdit, title='Peak Fitting')
957	self.AutoSearch = self.PeakEdit.Append(help='Automatic peak search',
958	id=wxID_AUTOSEARCH, kind=wx.ITEM_NORMAL,text='Auto search')
959	self.UnDo = self.PeakEdit.Append(help='Undo last least squares refinement',
960	id=wxID_UNDO, kind=wx.ITEM_NORMAL,text='UnDo')
961	self.PeakFit = self.PeakEdit.Append(id=wxID_LSQPEAKFIT, kind=wx.ITEM_NORMAL,text='LSQ PeakFit',
962	help='Peak fitting via least-squares' )
963	self.PFOneCycle = self.PeakEdit.Append(id=wxID_LSQONECYCLE, kind=wx.ITEM_NORMAL,text='LSQ one cycle',
964	help='One cycle of Peak fitting via least-squares' )
965	self.PeakEdit.Append(id=wxID_RESETSIGGAM, kind=wx.ITEM_NORMAL,
966	text='Reset sig and gam',help='Reset sigma and gamma to global fit' )
967	self.PeakEdit.Append(id=wxID_CLEARPEAKS, kind=wx.ITEM_NORMAL,text='Clear peaks',
968	help='Clear the peak list' )
969	self.PostfillDataMenu()
970	self.UnDo.Enable(False)
971	self.PeakFit.Enable(False)
972	self.PFOneCycle.Enable(False)
973
974	# PDR / Index Peak List
975	self.IndPeaksMenu = wx.MenuBar()
976	self.PrefillDataMenu(self.IndPeaksMenu,helpType='Index Peak List')
977	self.IndPeaksEdit = wx.Menu(title='')
978	self.IndPeaksMenu.Append(menu=self.IndPeaksEdit,title='Operations')
979	self.IndPeaksEdit.Append(help='Load/Reload index peaks from peak list',id=wxID_INDXRELOAD,
980	kind=wx.ITEM_NORMAL,text='Load/Reload')
981	self.PostfillDataMenu()
982
983	# PDR / Unit Cells List
984	self.IndexMenu = wx.MenuBar()
985	self.PrefillDataMenu(self.IndexMenu,helpType='Unit Cells List')
986	self.IndexEdit = wx.Menu(title='')
987	self.IndexMenu.Append(menu=self.IndexEdit, title='Cell Index/Refine')
988	self.IndexPeaks = self.IndexEdit.Append(help='', id=wxID_INDEXPEAKS, kind=wx.ITEM_NORMAL,
989	text='Index Cell')
990	self.CopyCell = self.IndexEdit.Append( id=wxID_COPYCELL, kind=wx.ITEM_NORMAL,text='Copy Cell',
991	help='Copy selected unit cell from indexing to cell refinement fields')
992	self.RefineCell = self.IndexEdit.Append( id=wxID_REFINECELL, kind=wx.ITEM_NORMAL,
993	text='Refine Cell',help='Refine unit cell parameters from indexed peaks')
994	self.MakeNewPhase = self.IndexEdit.Append( id=wxID_MAKENEWPHASE, kind=wx.ITEM_NORMAL,
995	text='Make new phase',help='Make new phase from selected unit cell')
996	self.PostfillDataMenu()
997	self.IndexPeaks.Enable(False)
998	self.CopyCell.Enable(False)
999	self.RefineCell.Enable(False)
1000	self.MakeNewPhase.Enable(False)
1001
1002	# PDR / Reflection Lists
1003	self.ReflMenu = wx.MenuBar()
1004	self.PrefillDataMenu(self.ReflMenu,helpType='Reflection List')
1005	self.ReflEdit = wx.Menu(title='')
1006	self.ReflMenu.Append(menu=self.ReflEdit, title='Reflection List')
1007	self.SelectPhase = self.ReflEdit.Append(help='Select phase for reflection list',id=wxID_SELECTPHASE,
1008	kind=wx.ITEM_NORMAL,text='Select phase')
1009	self.PostfillDataMenu()
1010
1011	# IMG / Image Controls
1012	self.ImageMenu = wx.MenuBar()
1013	self.PrefillDataMenu(self.ImageMenu,helpType='Image Controls')
1014	self.ImageEdit = wx.Menu(title='')
1015	self.ImageMenu.Append(menu=self.ImageEdit, title='Operations')
1016	self.ImageEdit.Append(help='Calibrate detector by fitting to calibrant lines',
1017	id=wxID_IMCALIBRATE, kind=wx.ITEM_NORMAL,text='Calibrate')
1018	self.ImageEdit.Append(help='Recalibrate detector by fitting to calibrant lines',
1019	id=wxID_IMRECALIBRATE, kind=wx.ITEM_NORMAL,text='Recalibrate')
1020	self.ImageEdit.Append(help='Clear calibration data points and rings',id=wxID_IMCLEARCALIB,
1021	kind=wx.ITEM_NORMAL,text='Clear calibration')
1022	self.ImageEdit.Append(help='Integrate selected image',id=wxID_IMINTEGRATE,
1023	kind=wx.ITEM_NORMAL,text='Integrate')
1024	self.ImageEdit.Append(help='Integrate all images selected from list',id=wxID_INTEGRATEALL,
1025	kind=wx.ITEM_NORMAL,text='Integrate all')
1026	self.ImageEdit.Append(help='Copy image controls to other images',
1027	id=wxID_IMCOPYCONTROLS, kind=wx.ITEM_NORMAL,text='Copy Controls')
1028	self.ImageEdit.Append(help='Save image controls to file',
1029	id=wxID_IMSAVECONTROLS, kind=wx.ITEM_NORMAL,text='Save Controls')
1030	self.ImageEdit.Append(help='Load image controls from file',
1031	id=wxID_IMLOADCONTROLS, kind=wx.ITEM_NORMAL,text='Load Controls')
1032	self.PostfillDataMenu()
1033
1034	# IMG / Masks
1035	self.MaskMenu = wx.MenuBar()
1036	self.PrefillDataMenu(self.MaskMenu,helpType='Image Masks')
1037	self.MaskEdit = wx.Menu(title='')
1038	self.MaskMenu.Append(menu=self.MaskEdit, title='Operations')
1039	self.MaskEdit.Append(help='Copy mask to other images',
1040	id=wxID_MASKCOPY, kind=wx.ITEM_NORMAL,text='Copy mask')
1041	self.MaskEdit.Append(help='Save mask to file',
1042	id=wxID_MASKSAVE, kind=wx.ITEM_NORMAL,text='Save mask')
1043	self.MaskEdit.Append(help='Load mask from file',
1044	id=wxID_MASKLOAD, kind=wx.ITEM_NORMAL,text='Load mask')
1045	self.PostfillDataMenu()
1046
1047	# IMG / Stress/Strain
1048
1049	self.StrStaMenu = wx.MenuBar()
1050	self.PrefillDataMenu(self.StrStaMenu,helpType='Stress/Strain')
1051	self.StrStaEdit = wx.Menu(title='')
1052	self.StrStaMenu.Append(menu=self.StrStaEdit, title='Operations')
1053	self.StrStaEdit.Append(help='Append d-zero for one ring',
1054	id=wxID_APPENDDZERO, kind=wx.ITEM_NORMAL,text='Append d-zero')
1055	self.StrStaEdit.Append(help='Fit stress/strain data',
1056	id=wxID_STRSTAFIT, kind=wx.ITEM_NORMAL,text='Fit stress/strain')
1057	self.StrStaEdit.Append(help='Copy stress/strain data to other images',
1058	id=wxID_STRSTACOPY, kind=wx.ITEM_NORMAL,text='Copy stress/strain')
1059	self.StrStaEdit.Append(help='Save stress/strain data to file',
1060	id=wxID_STRSTASAVE, kind=wx.ITEM_NORMAL,text='Save stress/strain')
1061	self.StrStaEdit.Append(help='Load stress/strain data from file',
1062	id=wxID_STRSTALOAD, kind=wx.ITEM_NORMAL,text='Load stress/strain')
1063	self.PostfillDataMenu()
1064
1065	# PDF / PDF Controls
1066	self.PDFMenu = wx.MenuBar()
1067	self.PrefillDataMenu(self.PDFMenu,helpType='PDF Controls')
1068	self.PDFEdit = wx.Menu(title='')
1069	self.PDFMenu.Append(menu=self.PDFEdit, title='PDF Controls')
1070	self.PDFEdit.Append(help='Add element to sample composition',id=wxID_PDFADDELEMENT, kind=wx.ITEM_NORMAL,
1071	text='Add element')
1072	self.PDFEdit.Append(help='Delete element from sample composition',id=wxID_PDFDELELEMENT, kind=wx.ITEM_NORMAL,
1073	text='Delete element')
1074	self.PDFEdit.Append(help='Copy PDF controls', id=wxID_PDFCOPYCONTROLS, kind=wx.ITEM_NORMAL,
1075	text='Copy controls')
1076	# self.PDFEdit.Append(help='Load PDF controls from file',id=wxID_PDFLOADCONTROLS, kind=wx.ITEM_NORMAL,
1077	# text='Load Controls')
1078	# self.PDFEdit.Append(help='Save PDF controls to file', id=wxID_PDFSAVECONTROLS, kind=wx.ITEM_NORMAL,
1079	# text='Save controls')
1080	self.PDFEdit.Append(help='Compute PDF', id=wxID_PDFCOMPUTE, kind=wx.ITEM_NORMAL,
1081	text='Compute PDF')
1082	self.PDFEdit.Append(help='Compute all PDFs', id=wxID_PDFCOMPUTEALL, kind=wx.ITEM_NORMAL,
1083	text='Compute all PDFs')
1084	self.PostfillDataMenu()
1085
1086	# Phase / General tab
1087
1088	self.DataGeneral = wx.MenuBar()
1089	self.PrefillDataMenu(self.DataGeneral,helpType='General', helpLbl='Phase/General')
1090	self.GeneralCalc = wx.Menu(title='')
1091	self.DataGeneral.Append(menu=self.GeneralCalc,title='Compute')
1092	self.GeneralCalc.Append(help='Compute Fourier map',id=wxID_FOURCALC, kind=wx.ITEM_NORMAL,
1093	text='Fourier map')
1094	self.GeneralCalc.Append(help='Search Fourier map',id=wxID_FOURSEARCH, kind=wx.ITEM_NORMAL,
1095	text='Search map')
1096	self.GeneralCalc.Append(help='Run charge flipping',id=wxID_CHARGEFLIP, kind=wx.ITEM_NORMAL,
1097	text='Charge flipping')
1098	self.GeneralCalc.Append(help='Clear map',id=wxID_FOURCLEAR, kind=wx.ITEM_NORMAL,
1099	text='Clear map')
1100	self.PostfillDataMenu()
1101
1102	# Phase / Data tab
1103	self.DataMenu = wx.MenuBar()
1104	self.PrefillDataMenu(self.DataMenu,helpType='Data', helpLbl='Phase/Data')
1105	self.DataEdit = wx.Menu(title='')
1106	self.DataMenu.Append(menu=self.DataEdit, title='Edit')
1107	self.DataEdit.Append(id=wxID_PWDRADD, kind=wx.ITEM_NORMAL,text='Add powder histograms',
1108	help='Select new powder histograms to be used for this phase')
1109	self.DataEdit.Append(id=wxID_HKLFADD, kind=wx.ITEM_NORMAL,text='Add single crystal histograms',
1110	help='Select new single crystal histograms to be used for this phase')
1111	self.DataEdit.Append(id=wxID_DATADELETE, kind=wx.ITEM_NORMAL,text='Delete histograms',
1112	help='Delete histograms from use for this phase')
1113	self.PostfillDataMenu()
1114
1115	# Phase / Atoms tab
1116	self.AtomsMenu = wx.MenuBar()
1117	self.PrefillDataMenu(self.AtomsMenu,helpType='Atoms')
1118	self.AtomEdit = wx.Menu(title='')
1119	self.AtomCompute = wx.Menu(title='')
1120	self.AtomsMenu.Append(menu=self.AtomEdit, title='Edit')
1121	self.AtomsMenu.Append(menu=self.AtomCompute, title='Compute')
1122	self.AtomEdit.Append(id=wxID_ATOMSEDITADD, kind=wx.ITEM_NORMAL,text='Append atom',
1123	help='Appended as an H atom')
1124	self.AtomEdit.Append(id=wxID_ATOMSVIEWADD, kind=wx.ITEM_NORMAL,text='Append view point',
1125	help='Appended as an H atom')
1126	self.AtomEdit.Append(id=wxID_RBAPPEND, kind=wx.ITEM_NORMAL,text='Append rigid body',
1127	help='Append atoms for rigid body')
1128	self.AtomEdit.Append(id=wxID_ATOMSEDITINSERT, kind=wx.ITEM_NORMAL,text='Insert atom',
1129	help='Select atom row to insert before; inserted as an H atom')
1130	self.AtomEdit.Append(id=wxID_ATOMVIEWINSERT, kind=wx.ITEM_NORMAL,text='Insert view point',
1131	help='Select atom row to insert before; inserted as an H atom')
1132	self.AtomEdit.Append(id=wxID_ATOMMOVE, kind=wx.ITEM_NORMAL,text='Move atom to view point',
1133	help='Select single atom to move')
1134	self.AtomEdit.Append(id=wxID_ATOMSEDITDELETE, kind=wx.ITEM_NORMAL,text='Delete atom',
1135	help='Select atoms to delete first')
1136	self.AtomEdit.Append(id=wxID_ATOMSREFINE, kind=wx.ITEM_NORMAL,text='Set atom refinement flags',
1137	help='Select atoms to refine first')
1138	self.AtomEdit.Append(id=wxID_ATOMSMODIFY, kind=wx.ITEM_NORMAL,text='Modify atom parameters',
1139	help='Select atoms to modify first')
1140	self.AtomEdit.Append(id=wxID_ATOMSTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
1141	help='Select atoms to transform first')
1142	self.AtomEdit.Append(id=wxID_RELOADDRAWATOMS, kind=wx.ITEM_NORMAL,text='Reload draw atoms',
1143	help='Reload atom drawing list')
1144	self.AtomEdit.Append(id=wxID_ATOMSREIMPORT, kind=wx.ITEM_NORMAL,text='Reimport atoms',
1145	help='Reimport atoms from file; sequence must match')
1146	self.AtomCompute.Append(id=wxID_ATOMSDISAGL, kind=wx.ITEM_NORMAL,text='Distances && Angles',
1147	help='Compute distances & angles for selected atoms')
1148	self.PostfillDataMenu()
1149
1150	# Phase / Draw Options tab
1151	self.DataDrawOptions = wx.MenuBar()
1152	self.PrefillDataMenu(self.DataDrawOptions,helpType='Draw Options', helpLbl='Phase/Draw Options',empty=True)
1153	self.PostfillDataMenu(empty=True)
1154
1155	# Phase / Draw Atoms tab
1156	self.DrawAtomsMenu = wx.MenuBar()
1157	self.PrefillDataMenu(self.DrawAtomsMenu,helpType='Draw Atoms')
1158	self.DrawAtomEdit = wx.Menu(title='')
1159	self.DrawAtomCompute = wx.Menu(title='')
1160	self.DrawAtomRestraint = wx.Menu(title='')
1161	self.DrawAtomRigidBody = wx.Menu(title='')
1162	self.DrawAtomsMenu.Append(menu=self.DrawAtomEdit, title='Edit')
1163	self.DrawAtomsMenu.Append(menu=self.DrawAtomCompute,title='Compute')
1164	self.DrawAtomsMenu.Append(menu=self.DrawAtomRestraint, title='Restraints')
1165	self.DrawAtomsMenu.Append(menu=self.DrawAtomRigidBody, title='Rigid body')
1166	self.DrawAtomEdit.Append(id=wxID_DRAWATOMSTYLE, kind=wx.ITEM_NORMAL,text='Atom style',
1167	help='Select atoms first')
1168	self.DrawAtomEdit.Append(id=wxID_DRAWATOMLABEL, kind=wx.ITEM_NORMAL,text='Atom label',
1169	help='Select atoms first')
1170	self.DrawAtomEdit.Append(id=wxID_DRAWATOMCOLOR, kind=wx.ITEM_NORMAL,text='Atom color',
1171	help='Select atoms first')
1172	self.DrawAtomEdit.Append(id=wxID_DRAWATOMRESETCOLOR, kind=wx.ITEM_NORMAL,text='Reset atom colors',
1173	help='Resets all atom colors to defaults')
1174	self.DrawAtomEdit.Append(id=wxID_DRAWVIEWPOINT, kind=wx.ITEM_NORMAL,text='View point',
1175	help='View point is 1st atom selected')
1176	self.DrawAtomEdit.Append(id=wxID_DRAWADDEQUIV, kind=wx.ITEM_NORMAL,text='Add atoms',
1177	help='Add symmetry & cell equivalents to drawing set from selected atoms')
1178	self.DrawAtomEdit.Append(id=wxID_DRAWTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
1179	help='Transform selected atoms by symmetry & cell translations')
1180	self.DrawAtomEdit.Append(id=wxID_DRAWFILLCOORD, kind=wx.ITEM_NORMAL,text='Fill CN-sphere',
1181	help='Fill coordination sphere for selected atoms')
1182	self.DrawAtomEdit.Append(id=wxID_DRAWFILLCELL, kind=wx.ITEM_NORMAL,text='Fill unit cell',
1183	help='Fill unit cell with selected atoms')
1184	self.DrawAtomEdit.Append(id=wxID_DRAWDELETE, kind=wx.ITEM_NORMAL,text='Delete atoms',
1185	help='Delete atoms from drawing set')
1186	self.DrawAtomCompute.Append(id=wxID_DRAWDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.',
1187	help='Compute distance of selected atoms from view point')
1188	self.DrawAtomCompute.Append(id=wxID_DRAWDISAGLTOR, kind=wx.ITEM_NORMAL,text='Dist. Ang. Tors.',
1189	help='Compute distance, angle or torsion for 2-4 selected atoms')
1190	self.DrawAtomCompute.Append(id=wxID_DRAWPLANE, kind=wx.ITEM_NORMAL,text='Best plane',
1191	help='Compute best plane for 4+ selected atoms')
1192	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRBOND, kind=wx.ITEM_NORMAL,text='Add bond restraint',
1193	help='Add bond restraint for selected atoms (2)')
1194	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRANGLE, kind=wx.ITEM_NORMAL,text='Add angle restraint',
1195	help='Add angle restraint for selected atoms (3: one end 1st)')
1196	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRPLANE, kind=wx.ITEM_NORMAL,text='Add plane restraint',
1197	help='Add plane restraint for selected atoms (4+)')
1198	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRCHIRAL, kind=wx.ITEM_NORMAL,text='Add chiral restraint',
1199	help='Add chiral restraint for selected atoms (4: center atom 1st)')
1200	self.DrawAtomRigidBody.Append(id=wxID_DRAWDEFINERB, kind=wx.ITEM_NORMAL,text='Define rigid body',
1201	help='Define rigid body with selected atoms')
1202	self.PostfillDataMenu()
1203
1204	# Phase / Texture tab
1205	self.TextureMenu = wx.MenuBar()
1206	self.PrefillDataMenu(self.TextureMenu,helpType='Texture')
1207	self.TextureEdit = wx.Menu(title='')
1208	self.TextureMenu.Append(menu=self.TextureEdit, title='Texture')
1209	self.TextureEdit.Append(id=wxID_REFINETEXTURE, kind=wx.ITEM_NORMAL,text='Refine texture',
1210	help='Refine the texture coefficients from sequential Pawley results')
1211	self.TextureEdit.Append(id=wxID_CLEARTEXTURE, kind=wx.ITEM_NORMAL,text='Clear texture',
1212	help='Clear the texture coefficients' )
1213	self.PostfillDataMenu()
1214
1215	# Phase / Pawley tab
1216	self.PawleyMenu = wx.MenuBar()
1217	self.PrefillDataMenu(self.PawleyMenu,helpType='Pawley')
1218	self.PawleyEdit = wx.Menu(title='')
1219	self.PawleyMenu.Append(menu=self.PawleyEdit,title='Operations')
1220	self.PawleyEdit.Append(id=wxID_PAWLEYLOAD, kind=wx.ITEM_NORMAL,text='Pawley create',
1221	help='Initialize Pawley reflection list')
1222	self.PawleyEdit.Append(id=wxID_PAWLEYESTIMATE, kind=wx.ITEM_NORMAL,text='Pawley estimate',
1223	help='Estimate initial Pawley intensities')
1224	self.PawleyEdit.Append(id=wxID_PAWLEYUPDATE, kind=wx.ITEM_NORMAL,text='Pawley update',
1225	help='Update Pawley intensities with abs(Fobs) from reflection list')
1226	# self.PawleyEdit.Append(id=wxID_PAWLEYDELETE, kind=wx.ITEM_NORMAL,text='Pawley delete',
1227	# help='Delete selected Pawley reflection')
1228	self.PostfillDataMenu()
1229
1230	# Phase / Map peaks tab
1231	self.MapPeaksMenu = wx.MenuBar()
1232	self.PrefillDataMenu(self.MapPeaksMenu,helpType='Map peaks')
1233	self.MapPeaksEdit = wx.Menu(title='')
1234	self.MapPeaksMenu.Append(menu=self.MapPeaksEdit, title='Map peaks')
1235	self.MapPeaksEdit.Append(id=wxID_PEAKSMOVE, kind=wx.ITEM_NORMAL,text='Move peaks',
1236	help='Move selected peaks to atom list')
1237	self.MapPeaksEdit.Append(id=wxID_PEAKSVIEWPT, kind=wx.ITEM_NORMAL,text='View point',
1238	help='View point is 1st peak selected')
1239	self.MapPeaksEdit.Append(id=wxID_PEAKSDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.',
1240	help='Compute distance of selected peaks from view point')
1241	self.MapPeaksEdit.Append(id=wxID_SHOWBONDS, kind=wx.ITEM_NORMAL,text='Hide bonds',
1242	help='Hide or show bonds between peak positions')
1243	self.MapPeaksEdit.Append(id=wxID_PEAKSDA, kind=wx.ITEM_NORMAL,text='Calc dist/ang',
1244	help='Calculate distance or angle for selection')
1245	self.MapPeaksEdit.Append(id=wxID_FINDEQVPEAKS, kind=wx.ITEM_NORMAL,text='Equivalent peaks',
1246	help='Find equivalent peaks')
1247	self.MapPeaksEdit.Append(id=wxID_PEAKSUNIQUE, kind=wx.ITEM_NORMAL,text='Unique peaks',
1248	help='Select unique set')
1249	self.MapPeaksEdit.Append(id=wxID_PEAKSDELETE, kind=wx.ITEM_NORMAL,text='Delete peaks',
1250	help='Delete selected peaks')
1251	self.MapPeaksEdit.Append(id=wxID_PEAKSCLEAR, kind=wx.ITEM_NORMAL,text='Clear peaks',
1252	help='Clear the map peak list')
1253	self.PostfillDataMenu()
1254
1255	# Phase / Rigid bodies tab
1256	self.RigidBodiesMenu = wx.MenuBar()
1257	self.PrefillDataMenu(self.MapPeaksMenu,helpType='Rigid bodies')
1258	self.RigidBodiesEdit = wx.Menu(title='')
1259	self.RigidBodiesMenu.Append(menu=self.RigidBodiesEdit, title='Edit')
1260	self.RigidBodiesEdit.Append(id=wxID_ASSIGNATMS2RB, kind=wx.ITEM_NORMAL,text='Assign atoms to rigid body',
1261	help='Select & position rigid body in structure of existing atoms')
1262	self.RigidBodiesEdit.Append(id=wxID_AUTOFINDRESRB, kind=wx.ITEM_NORMAL,text='Auto find residues',
1263	help='Auto find of residue RBs in macromolecule')
1264	self.RigidBodiesEdit.Append(id=wxID_COPYRBPARMS, kind=wx.ITEM_NORMAL,text='Copy rigid body parms',
1265	help='Copy rigid body location & TLS parameters')
1266	self.RigidBodiesEdit.Append(id=wxID_GLOBALRESREFINE, kind=wx.ITEM_NORMAL,text='Global residue refine',
1267	help='Global setting of residue RB refinement flags')
1268	self.RigidBodiesEdit.Append(id=wxID_RBREMOVEALL, kind=wx.ITEM_NORMAL,text='Remove all rigid bodies',
1269	help='Remove all rigid body assignment for atoms')
1270	self.PostfillDataMenu()
1271
1272	# end of GSAS-II menu definitions
1273
1274	def _init_ctrls(self, parent,name=None,size=None,pos=None):
1275	wx.Frame.__init__(self,parent=parent,
1276	style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX \| wx.FRAME_FLOAT_ON_PARENT ,
1277	size=size,pos=pos,title='GSAS-II data display')
1278	self._init_menus()
1279	if name:
1280	self.SetLabel(name)
1281	self.Show()
1282
1283	def __init__(self,parent,frame,data=None,name=None, size=None,pos=None):
1284	self.G2frame = frame
1285	self._init_ctrls(parent,name,size,pos)
1286	self.data = data
1287	clientSize = wx.ClientDisplayRect()
1288	Size = self.GetSize()
1289	xPos = clientSize[2]-Size[0]
1290	self.SetPosition(wx.Point(xPos,clientSize[1]+250))
1291	self.AtomGrid = []
1292	self.selectedRow = 0
1293
1294	def setSizePosLeft(self,Width):
1295	clientSize = wx.ClientDisplayRect()
1296	Width[1] = min(Width[1],clientSize[2]-300)
1297	Width[0] = max(Width[0],300)
1298	self.SetSize(Width)
1299	# self.SetPosition(wx.Point(clientSize[2]-Width[0],clientSize[1]+250))
1300
1301	def Clear(self):
1302	self.ClearBackground()
1303	self.DestroyChildren()
1304
1305	################################################################################
1306	##### GSNotebook
1307	################################################################################
1308
1309	class GSNoteBook(wx.Notebook):
1310	def __init__(self, parent, name='',size = None):
1311	wx.Notebook.__init__(self, parent, -1, name=name, style= wx.BK_TOP)
1312	if size: self.SetSize(size)
1313
1314	def Clear(self):
1315	GSNoteBook.DeleteAllPages(self)
1316
1317	def FindPage(self,name):
1318	numPage = self.GetPageCount()
1319	for page in range(numPage):
1320	if self.GetPageText(page) == name:
1321	return page
1322
1323	################################################################################
1324	##### GSGrid
1325	################################################################################
1326
1327	class GSGrid(wg.Grid):
1328	def __init__(self, parent, name=''):
1329	wg.Grid.__init__(self,parent,-1,name=name)
1330	self.SetSize(parent.GetClientSize())
1331
1332	def Clear(self):
1333	wg.Grid.ClearGrid(self)
1334
1335	def SetCellStyle(self,r,c,color="white",readonly=True):
1336	self.SetCellBackgroundColour(r,c,color)
1337	self.SetReadOnly(r,c,isReadOnly=readonly)
1338
1339	def GetSelection(self):
1340	#this is to satisfy structure drawing stuff in G2plt when focus changes
1341	return None
1342
1343	################################################################################
1344	##### Table
1345	################################################################################
1346
1347	class Table(wg.PyGridTableBase):
1348	def __init__(self, data=[], rowLabels=None, colLabels=None, types = None):
1349	wg.PyGridTableBase.__init__(self)
1350	self.colLabels = colLabels
1351	self.rowLabels = rowLabels
1352	self.dataTypes = types
1353	self.data = data
1354
1355	def AppendRows(self, numRows=1):
1356	self.data.append([])
1357	return True
1358
1359	def CanGetValueAs(self, row, col, typeName):
1360	if self.dataTypes:
1361	colType = self.dataTypes[col].split(':')[0]
1362	if typeName == colType:
1363	return True
1364	else:
1365	return False
1366	else:
1367	return False
1368
1369	def CanSetValueAs(self, row, col, typeName):
1370	return self.CanGetValueAs(row, col, typeName)
1371
1372	def DeleteRow(self,pos):
1373	data = self.GetData()
1374	self.SetData([])
1375	new = []
1376	for irow,row in enumerate(data):
1377	if irow <> pos:
1378	new.append(row)
1379	self.SetData(new)
1380
1381	def GetColLabelValue(self, col):
1382	if self.colLabels:
1383	return self.colLabels[col]
1384
1385	def GetData(self):
1386	data = []
1387	for row in range(self.GetNumberRows()):
1388	data.append(self.GetRowValues(row))
1389	return data
1390
1391	def GetNumberCols(self):
1392	try:
1393	return len(self.colLabels)
1394	except TypeError:
1395	return None
1396
1397	def GetNumberRows(self):
1398	return len(self.data)
1399
1400	def GetRowLabelValue(self, row):
1401	if self.rowLabels:
1402	return self.rowLabels[row]
1403
1404	def GetColValues(self, col):
1405	data = []
1406	for row in range(self.GetNumberRows()):
1407	data.append(self.GetValue(row, col))
1408	return data
1409
1410	def GetRowValues(self, row):
1411	data = []
1412	for col in range(self.GetNumberCols()):
1413	data.append(self.GetValue(row, col))
1414	return data
1415
1416	def GetTypeName(self, row, col):
1417	try:
1418	return self.dataTypes[col]
1419	except TypeError:
1420	return None
1421
1422	def GetValue(self, row, col):
1423	try:
1424	return self.data[row][col]
1425	except IndexError:
1426	return None
1427
1428	def InsertRows(self, pos, rows):
1429	for row in range(rows):
1430	self.data.insert(pos,[])
1431	pos += 1
1432
1433	def IsEmptyCell(self,row,col):
1434	try:
1435	return not self.data[row][col]
1436	except IndexError:
1437	return True
1438
1439	def OnKeyPress(self, event):
1440	dellist = self.GetSelectedRows()
1441	if event.GetKeyCode() == wx.WXK_DELETE and dellist:
1442	grid = self.GetView()
1443	for i in dellist: grid.DeleteRow(i)
1444
1445	def SetColLabelValue(self, col, label):
1446	numcols = self.GetNumberCols()
1447	if col > numcols-1:
1448	self.colLabels.append(label)
1449	else:
1450	self.colLabels[col]=label
1451
1452	def SetData(self,data):
1453	for row in range(len(data)):
1454	self.SetRowValues(row,data[row])
1455
1456	def SetRowLabelValue(self, row, label):
1457	self.rowLabels[row]=label
1458
1459	def SetRowValues(self,row,data):
1460	self.data[row] = data
1461
1462	def SetValue(self, row, col, value):
1463	def innerSetValue(row, col, value):
1464	try:
1465	self.data[row][col] = value
1466	except TypeError:
1467	return
1468	except IndexError:
1469	print row,col,value
1470	# add a new row
1471	if row > self.GetNumberRows():
1472	self.data.append([''] * self.GetNumberCols())
1473	elif col > self.GetNumberCols():
1474	for row in range(self.GetNumberRows):
1475	self.data[row].append('')
1476	print self.data
1477	self.data[row][col] = value
1478	innerSetValue(row, col, value)
1479
1480	################################################################################
1481	#### Help
1482	################################################################################
1483
1484	def ShowHelp(helpType,frame):
1485	'''Called to bring up a web page for documentation.'''
1486	global htmlFirstUse
1487	# look up a definition for help info from dict
1488	helplink = helpLocDict.get(helpType)
1489	if helplink is None:
1490	# no defined link to use, create a default based on key
1491	helplink = 'gsasII.html#'+helpType.replace(' ','_')
1492	helplink = os.path.join(path2GSAS2,'help',helplink)
1493	if helpMode == 'internal':
1494	try:
1495	htmlPanel.LoadFile(helplink)
1496	htmlFrame.Raise()
1497	except:
1498	htmlFrame = wx.Frame(frame, -1, size=(610, 510))
1499	htmlFrame.Show(True)
1500	htmlFrame.SetTitle("HTML Window") # N.B. reset later in LoadFile
1501	htmlPanel = MyHtmlPanel(htmlFrame,-1)
1502	htmlPanel.LoadFile(helplink)
1503	else:
1504	pfx = "file://"
1505	if sys.platform.lower().startswith('win'):
1506	pfx = ''
1507	if htmlFirstUse:
1508	webbrowser.open_new(pfx+helplink)
1509	htmlFirstUse = False
1510	else:
1511	webbrowser.open(pfx+helplink, new=0, autoraise=True)
1512
1513	################################################################################
1514	##### Notebook
1515	################################################################################
1516
1517	def UpdateNotebook(G2frame,data):
1518
1519	def OnNoteBook(event):
1520	data = G2frame.dataDisplay.GetValue()
1521	G2frame.PatternTree.SetItemPyData(GetPatternTreeItemId(G2frame,G2frame.root,'Notebook'),data)
1522
1523	if G2frame.dataDisplay:
1524	G2frame.dataDisplay.Destroy()
1525	G2frame.dataFrame.SetLabel('Notebook')
1526	G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
1527	style=wx.TE_MULTILINE\|wx.TE_PROCESS_ENTER \| wx.TE_DONTWRAP)
1528	G2frame.dataDisplay.Bind(wx.EVT_TEXT_ENTER,OnNoteBook)
1529	G2frame.dataDisplay.Bind(wx.EVT_KILL_FOCUS,OnNoteBook)
1530	for line in data:
1531	G2frame.dataDisplay.AppendText(line+"\n")
1532	G2frame.dataDisplay.AppendText('Notebook entry @ '+time.ctime()+"\n")
1533	G2frame.dataFrame.setSizePosLeft([400,250])
1534
1535	################################################################################
1536	##### Controls
1537	################################################################################
1538
1539	def UpdateControls(G2frame,data):
1540	#patch
1541	if 'deriv type' not in data:
1542	data = {}
1543	data['deriv type'] = 'analytic Hessian'
1544	data['min dM/M'] = 0.0001
1545	data['shift factor'] = 1.
1546	data['max cyc'] = 3
1547	data['F**2'] = True
1548	data['minF/sig'] = 0
1549	if 'shift factor' not in data:
1550	data['shift factor'] = 1.
1551	if 'max cyc' not in data:
1552	data['max cyc'] = 3
1553	if 'F**2' not in data:
1554	data['F**2'] = True
1555	data['minF/sig'] = 0
1556	#end patch
1557
1558	def SeqSizer():
1559
1560	def OnSelectData(event):
1561	choices = ['All',]+GetPatternTreeDataNames(G2frame,['PWDR',])
1562	sel = []
1563	if 'Seq Data' in data:
1564	for item in data['Seq Data']:
1565	sel.append(choices.index(item))
1566	names = []
1567	dlg = wx.MultiChoiceDialog(G2frame,'Select data:','Sequential refinement',choices)
1568	dlg.SetSelections(sel)
1569	if dlg.ShowModal() == wx.ID_OK:
1570	sel = dlg.GetSelections()
1571	for i in sel: names.append(choices[i])
1572	if 'All' in names:
1573	names = choices[1:]
1574	data['Seq Data'] = names
1575	dlg.Destroy()
1576	reverseSel.Enable(True)
1577
1578	def OnReverse(event):
1579	data['Reverse Seq'] = reverseSel.GetValue()
1580
1581	seqSizer = wx.BoxSizer(wx.HORIZONTAL)
1582	seqSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Sequential Refinement Powder Data: '),0,wx.ALIGN_CENTER_VERTICAL)
1583	selSeqData = wx.Button(G2frame.dataDisplay,-1,label=' Select data')
1584	selSeqData.Bind(wx.EVT_BUTTON,OnSelectData)
1585	seqSizer.Add(selSeqData,0,wx.ALIGN_CENTER_VERTICAL)
1586	seqSizer.Add((5,0),0)
1587	reverseSel = wx.CheckBox(G2frame.dataDisplay,-1,label=' Reverse order?')
1588	reverseSel.Bind(wx.EVT_CHECKBOX,OnReverse)
1589	if 'Seq Data' not in data:
1590	reverseSel.Enable(False)
1591	if 'Reverse Seq' in data:
1592	reverseSel.SetValue(data['Reverse Seq'])
1593	seqSizer.Add(reverseSel,0,wx.ALIGN_CENTER_VERTICAL)
1594	return seqSizer
1595
1596	def LSSizer():
1597
1598	def OnDerivType(event):
1599	data['deriv type'] = derivSel.GetValue()
1600	derivSel.SetValue(data['deriv type'])
1601	wx.CallAfter(UpdateControls,G2frame,data)
1602
1603	def OnConvergence(event):
1604	try:
1605	value = max(1.e-9,min(1.0,float(Cnvrg.GetValue())))
1606	except ValueError:
1607	value = 0.0001
1608	data['min dM/M'] = value
1609	Cnvrg.SetValue('%.2g'%(value))
1610
1611	def OnMaxCycles(event):
1612	data['max cyc'] = int(maxCyc.GetValue())
1613	maxCyc.SetValue(str(data['max cyc']))
1614
1615	def OnFactor(event):
1616	try:
1617	value = min(max(float(Factr.GetValue()),0.00001),100.)
1618	except ValueError:
1619	value = 1.0
1620	data['shift factor'] = value
1621	Factr.SetValue('%.5f'%(value))
1622
1623	def OnFsqRef(event):
1624	data['F**2'] = fsqRef.GetValue()
1625
1626	def OnMinSig(event):
1627	try:
1628	value = min(max(float(minSig.GetValue()),0.),5.)
1629	except ValueError:
1630	value = 1.0
1631	data['minF/sig'] = value
1632	minSig.SetValue('%.2f'%(value))
1633
1634	LSSizer = wx.FlexGridSizer(cols=4,vgap=5,hgap=5)
1635	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement derivatives: '),0,wx.ALIGN_CENTER_VERTICAL)
1636	Choice=['analytic Jacobian','numeric','analytic Hessian']
1637	derivSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['deriv type'],choices=Choice,
1638	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1639	derivSel.SetValue(data['deriv type'])
1640	derivSel.Bind(wx.EVT_COMBOBOX, OnDerivType)
1641
1642	LSSizer.Add(derivSel,0,wx.ALIGN_CENTER_VERTICAL)
1643	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Min delta-M/M: '),0,wx.ALIGN_CENTER_VERTICAL)
1644	Cnvrg = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2g'%(data['min dM/M']),style=wx.TE_PROCESS_ENTER)
1645	Cnvrg.Bind(wx.EVT_TEXT_ENTER,OnConvergence)
1646	Cnvrg.Bind(wx.EVT_KILL_FOCUS,OnConvergence)
1647	LSSizer.Add(Cnvrg,0,wx.ALIGN_CENTER_VERTICAL)
1648	if 'Hessian' in data['deriv type']:
1649	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Max cycles: '),0,wx.ALIGN_CENTER_VERTICAL)
1650	Choice = ['0','1','2','3','5','10','15','20']
1651	maxCyc = wx.ComboBox(parent=G2frame.dataDisplay,value=str(data['max cyc']),choices=Choice,
1652	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1653	maxCyc.SetValue(str(data['max cyc']))
1654	maxCyc.Bind(wx.EVT_COMBOBOX, OnMaxCycles)
1655	LSSizer.Add(maxCyc,0,wx.ALIGN_CENTER_VERTICAL)
1656	else:
1657	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Initial shift factor: '),0,wx.ALIGN_CENTER_VERTICAL)
1658	Factr = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.5f'%(data['shift factor']),style=wx.TE_PROCESS_ENTER)
1659	Factr.Bind(wx.EVT_TEXT_ENTER,OnFactor)
1660	Factr.Bind(wx.EVT_KILL_FOCUS,OnFactor)
1661	LSSizer.Add(Factr,0,wx.ALIGN_CENTER_VERTICAL)
1662	if G2frame.Sngl:
1663	LSSizer.Add((1,0),)
1664	LSSizer.Add((1,0),)
1665	fsqRef = wx.CheckBox(G2frame.dataDisplay,-1,label='Refine HKLF as F^2? ')
1666	fsqRef.SetValue(data['F**2'])
1667	fsqRef.Bind(wx.EVT_CHECKBOX,OnFsqRef)
1668	LSSizer.Add(fsqRef,0,wx.ALIGN_CENTER_VERTICAL)
1669	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,label='Min obs/sig (0-5): '),0,wx.ALIGN_CENTER_VERTICAL)
1670	minSig = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2f'%(data['minF/sig']),style=wx.TE_PROCESS_ENTER)
1671	minSig.Bind(wx.EVT_TEXT_ENTER,OnMinSig)
1672	minSig.Bind(wx.EVT_KILL_FOCUS,OnMinSig)
1673	LSSizer.Add(minSig,0,wx.ALIGN_CENTER_VERTICAL)
1674	return LSSizer
1675
1676	if G2frame.dataDisplay:
1677	G2frame.dataDisplay.Destroy()
1678	if not G2frame.dataFrame.GetStatusBar():
1679	Status = G2frame.dataFrame.CreateStatusBar()
1680	Status.SetStatusText('')
1681	G2frame.dataFrame.SetLabel('Controls')
1682	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1683	SetDataMenuBar(G2frame,G2frame.dataFrame.ControlsMenu)
1684	mainSizer = wx.BoxSizer(wx.VERTICAL)
1685	mainSizer.Add((5,5),0)
1686	mainSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement Controls:'),0,wx.ALIGN_CENTER_VERTICAL)
1687	mainSizer.Add(LSSizer())
1688	mainSizer.Add((5,5),0)
1689	mainSizer.Add(SeqSizer())
1690	mainSizer.Add((5,5),0)
1691
1692	mainSizer.Layout()
1693	G2frame.dataDisplay.SetSizer(mainSizer)
1694	G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame))
1695	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
1696
1697	################################################################################
1698	##### Comments
1699	################################################################################
1700
1701	def UpdateComments(G2frame,data):
1702
1703	if G2frame.dataDisplay:
1704	G2frame.dataDisplay.Destroy()
1705	G2frame.dataFrame.SetLabel('Comments')
1706	G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
1707	style=wx.TE_MULTILINE\|wx.TE_READONLY\|wx.TE_DONTWRAP)
1708	for line in data:
1709	G2frame.dataDisplay.AppendText(line+'\n')
1710	G2frame.dataFrame.setSizePosLeft([400,250])
1711
1712	################################################################################
1713	##### Sequential Results
1714	################################################################################
1715
1716	def UpdateSeqResults(G2frame,data):
1717	"""
1718	input:
1719	data - dictionary
1720	'histNames' - list of histogram names in order as processed by Sequential Refinement
1721	'varyList' - list of variables - identical over all refinements in sequence
1722	'histName' - dictionaries for all data sets processed:
1723	'variables'- result[0] from leastsq call
1724	'varyList' - list of variables; same as above
1725	'sig' - esds for variables
1726	'covMatrix' - covariance matrix from individual refinement
1727	'title' - histogram name; same as dict item name
1728	'newAtomDict' - new atom parameters after shifts applied
1729	'newCellDict' - new cell parameters after shifts to A0-A5 applied'
1730	"""
1731	if not data:
1732	print 'No sequential refinement results'
1733	return
1734	histNames = data['histNames']
1735
1736	def GetSampleParms():
1737	sampleParmDict = {'Temperature':[],'Pressure':[],'Humidity':[],'Voltage':[],'Force':[],}
1738	sampleParm = {}
1739	for name in histNames:
1740	Id = GetPatternTreeItemId(G2frame,G2frame.root,name)
1741	sampleData = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,Id,'Sample Parameters'))
1742	for item in sampleParmDict:
1743	sampleParmDict[item].append(sampleData[item])
1744	for item in sampleParmDict:
1745	frstValue = sampleParmDict[item][0]
1746	if np.any(np.array(sampleParmDict[item])-frstValue):
1747	sampleParm[item] = sampleParmDict[item]
1748	return sampleParm
1749
1750	def GetRwps():
1751	Rwps = []
1752	for name in histNames:
1753	Rwps.append(data[name]['Rvals']['Rwp'])
1754	return Rwps
1755
1756	def GetSigData(parm):
1757	sigData = []
1758	for name in histNames:
1759	sigList = data[name]['sig']
1760	if colLabels[parm] in atomList:
1761	sigData.append(sigList[colLabels.index(atomList[colLabels[parm]])-1])
1762	elif colLabels[parm] in cellList:
1763	sigData.append(sigList[colLabels.index(cellList[colLabels[parm]])-1])
1764	else:
1765	sigData.append(sigList[parm-1])
1766	return sigData
1767
1768	def Select(event):
1769	cols = G2frame.dataDisplay.GetSelectedCols()
1770	rows = G2frame.dataDisplay.GetSelectedRows()
1771	if cols:
1772	plotData = []
1773	plotSig = []
1774	plotNames = []
1775	for col in cols:
1776	plotData.append(G2frame.SeqTable.GetColValues(col))
1777	if col: #not Rwp
1778	plotSig.append(GetSigData(col))
1779	else:
1780	plotSig.append(0.0)
1781	plotNames.append(G2frame.SeqTable.GetColLabelValue(col))
1782	plotData = np.array(plotData)
1783	G2plt.PlotSeq(G2frame,plotData,plotSig,plotNames,sampleParms)
1784	elif rows:
1785	name = histNames[rows[0]] #only does 1st one selected
1786	G2plt.PlotCovariance(G2frame,data[name])
1787
1788	def OnSaveSelSeq(event):
1789	cols = G2frame.dataDisplay.GetSelectedCols()
1790	if cols:
1791	numRows = G2frame.SeqTable.GetNumberRows()
1792	dataNames = []
1793	saveNames = [G2frame.SeqTable.GetRowLabelValue(r) for r in range(numRows)]
1794	saveData = []
1795	for col in cols:
1796	dataNames.append(G2frame.SeqTable.GetColLabelValue(col))
1797	if col: #not Rwp
1798	saveData.append(zip(G2frame.SeqTable.GetColValues(col),GetSigData(col)))
1799	else:
1800	saveData.append(zip(G2frame.SeqTable.GetColValues(col),0.0))
1801	lenName = len(saveNames[0])
1802	saveData = np.swapaxes(np.array(saveData),0,1)
1803	dlg = wx.FileDialog(G2frame, 'Choose text output file for your selection', '.', '',
1804	'Text output file (.txt)\|.txt',wx.FD_SAVE\|wx.FD_OVERWRITE_PROMPT\|wx.CHANGE_DIR)
1805	try:
1806	if dlg.ShowModal() == wx.ID_OK:
1807	SeqTextFile = dlg.GetPath()
1808	SeqTextFile = G2IO.FileDlgFixExt(dlg,SeqTextFile)
1809	SeqFile = open(SeqTextFile,'w')
1810	line = ' %s '%('name'.center(lenName))
1811	for item in dataNames:
1812	line += ' %12s %12s '%(item.center(12),'esd'.center(12))
1813	line += '\n'
1814	SeqFile.write(line)
1815	for i,item in enumerate(saveData):
1816	line = " '%s' "%(saveNames[i])
1817	for val,esd in item:
1818	line += ' %12.6f %12.6f '%(val,esd)
1819	line += '\n'
1820	SeqFile.write(line)
1821	SeqFile.close()
1822	finally:
1823	dlg.Destroy()
1824
1825
1826	if G2frame.dataDisplay:
1827	G2frame.dataDisplay.Destroy()
1828	atomList = {}
1829	newAtomDict = data[histNames[0]]['newAtomDict']
1830	for item in newAtomDict:
1831	if item in data['varyList']:
1832	atomList[newAtomDict[item][0]] = item
1833	cellList = {}
1834	newCellDict = data[histNames[0]]['newCellDict']
1835	for item in newCellDict:
1836	if item in data['varyList']:
1837	cellList[newCellDict[item][0]] = item
1838	sampleParms = GetSampleParms()
1839	Rwps = GetRwps()
1840	SetDataMenuBar(G2frame,G2frame.dataFrame.SequentialMenu)
1841	G2frame.dataFrame.SetLabel('Sequental refinement results')
1842	G2frame.dataFrame.CreateStatusBar()
1843	G2frame.dataFrame.Bind(wx.EVT_MENU, OnSaveSelSeq, id=wxID_SAVESEQSEL)
1844	colLabels = ['Rwp',]+data['varyList']+atomList.keys()+cellList.keys()
1845	Types = (len(data['varyList']+atomList.keys()+cellList.keys())+1)*[wg.GRID_VALUE_FLOAT,]
1846	seqList = [[Rwps[i],]+list(data[name]['variables']) for i,name in enumerate(histNames)]
1847	for i,item in enumerate(seqList):
1848	newAtomDict = data[histNames[i]]['newAtomDict']
1849	newCellDict = data[histNames[i]]['newCellDict']
1850	item += [newAtomDict[atomList[parm]][1] for parm in atomList.keys()]
1851	item += [newCellDict[cellList[parm]][1] for parm in cellList.keys()]
1852	G2frame.SeqTable = Table(seqList,colLabels=colLabels,rowLabels=histNames,types=Types)
1853	G2frame.dataDisplay = GSGrid(parent=G2frame.dataFrame)
1854	G2frame.dataDisplay.SetTable(G2frame.SeqTable, True)
1855	G2frame.dataDisplay.EnableEditing(False)
1856	G2frame.dataDisplay.Bind(wg.EVT_GRID_LABEL_LEFT_DCLICK, Select)
1857	G2frame.dataDisplay.SetRowLabelSize(8*len(histNames[0])) #pretty arbitrary 8
1858	G2frame.dataDisplay.SetMargins(0,0)
1859	G2frame.dataDisplay.AutoSizeColumns(True)
1860	G2frame.dataFrame.setSizePosLeft([700,350])
1861
1862	################################################################################
1863	##### Main PWDR panel
1864	################################################################################
1865
1866	def UpdatePWHKPlot(G2frame,kind,item):
1867
1868	def OnErrorAnalysis(event):
1869	G2plt.PlotDeltSig(G2frame,kind)
1870
1871	def OnWtFactor(event):
1872	try:
1873	val = float(wtval.GetValue())
1874	except ValueError:
1875	val = data[0]['wtFactor']
1876	data[0]['wtFactor'] = val
1877	wtval.SetValue('%.3f'%(val))
1878
1879	data = G2frame.PatternTree.GetItemPyData(item)
1880	if 'wtFactor' not in data[0]:
1881	data[0] = {'wtFactor':1.0}
1882	if G2frame.dataDisplay:
1883	G2frame.dataDisplay.Destroy()
1884	SetDataMenuBar(G2frame,G2frame.dataFrame.ErrorMenu)
1885	G2frame.dataFrame.Bind(wx.EVT_MENU,OnErrorAnalysis, id=wxID_PWDANALYSIS)
1886	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1887
1888	mainSizer = wx.BoxSizer(wx.VERTICAL)
1889	mainSizer.Add((5,5),)
1890	wtSizer = wx.BoxSizer(wx.HORIZONTAL)
1891	wtSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' Weight factor: '),0,wx.ALIGN_CENTER_VERTICAL)
1892	wtval = wx.TextCtrl(G2frame.dataDisplay,-1,'%.3f'%(data[0]['wtFactor']),style=wx.TE_PROCESS_ENTER)
1893	wtval.Bind(wx.EVT_TEXT_ENTER,OnWtFactor)
1894	wtval.Bind(wx.EVT_KILL_FOCUS,OnWtFactor)
1895	wtSizer.Add(wtval,0,wx.ALIGN_CENTER_VERTICAL)
1896	mainSizer.Add(wtSizer)
1897	mainSizer.Layout()
1898	G2frame.dataDisplay.SetSizer(mainSizer)
1899	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
1900	G2frame.PatternTree.SetItemPyData(item,data)
1901	if kind == 'PWDR':
1902	G2plt.PlotPatterns(G2frame,newPlot=True)
1903	elif kind == 'HKLF':
1904	G2plt.PlotSngl(G2frame,newPlot=True)
1905
1906	################################################################################
1907	##### HKLF controls
1908	################################################################################
1909
1910	def UpdateHKLControls(G2frame,data):
1911
1912	def OnScaleSlider(event):
1913	scale = int(scaleSel.GetValue())/1000.
1914	scaleSel.SetValue(int(scale*1000.))
1915	data['Scale'] = scale*1.
1916	G2plt.PlotSngl(G2frame)
1917
1918	def OnLayerSlider(event):
1919	layer = layerSel.GetValue()
1920	data['Layer'] = layer
1921	G2plt.PlotSngl(G2frame)
1922
1923	def OnSelZone(event):
1924	data['Zone'] = zoneSel.GetValue()
1925	izone = zones.index(data['Zone'])
1926	layerSel.SetRange(maxValue=HKLmax[izone],minValue=HKLmin[izone])
1927	G2plt.PlotSngl(G2frame,newPlot=True)
1928
1929	def OnSelType(event):
1930	data['Type'] = typeSel.GetValue()
1931	G2plt.PlotSngl(G2frame)
1932
1933	def SetStatusLine():
1934	Status.SetStatusText("")
1935
1936	if G2frame.dataDisplay:
1937	G2frame.dataDisplay.Destroy()
1938	if not G2frame.dataFrame.GetStatusBar():
1939	Status = G2frame.dataFrame.CreateStatusBar()
1940	SetStatusLine()
1941	zones = ['100','010','001']
1942	HKLmax = data['HKLmax']
1943	HKLmin = data['HKLmin']
1944	typeChoices = ['Fosq','Fo','\|DFsq\|/sig','\|DFsq\|>sig','\|DFsq\|>3sig']
1945	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1946	SetDataMenuBar(G2frame)
1947	G2frame.dataFrame.SetTitle('HKL Plot Controls')
1948	mainSizer = wx.BoxSizer(wx.VERTICAL)
1949	mainSizer.Add((5,10),0)
1950
1951	scaleSizer = wx.BoxSizer(wx.HORIZONTAL)
1952	scaleSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Scale'),0,
1953	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
1954	scaleSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=1000,minValue=1,
1955	style=wx.SL_HORIZONTAL,value=int(data['Scale']*10))
1956	scaleSizer.Add(scaleSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
1957	scaleSel.SetLineSize(10)
1958	scaleSel.SetPageSize(10)
1959	scaleSel.Bind(wx.EVT_SLIDER, OnScaleSlider)
1960	mainSizer.Add(scaleSizer,0,wx.EXPAND\|wx.RIGHT)
1961	mainSizer.Add((0,10),0)
1962
1963	zoneSizer = wx.BoxSizer(wx.HORIZONTAL)
1964	zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Zone '),0,
1965	wx.ALIGN_CENTER_VERTICAL)
1966	zoneSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Zone'],choices=['100','010','001'],
1967	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1968	zoneSel.Bind(wx.EVT_COMBOBOX, OnSelZone)
1969	zoneSizer.Add(zoneSel,0,wx.ALIGN_CENTER_VERTICAL)
1970	zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Plot type '),0,
1971	wx.ALIGN_CENTER_VERTICAL)
1972	typeSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Type'],choices=typeChoices,
1973	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1974	typeSel.Bind(wx.EVT_COMBOBOX, OnSelType)
1975	zoneSizer.Add(typeSel,0,wx.ALIGN_CENTER_VERTICAL)
1976	zoneSizer.Add((10,0),0)
1977	mainSizer.Add(zoneSizer,0,wx.EXPAND\|wx.RIGHT)
1978	mainSizer.Add((0,10),0)
1979
1980	izone = zones.index(data['Zone'])
1981	layerSizer = wx.BoxSizer(wx.HORIZONTAL)
1982	layerSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Layer'),0,
1983	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
1984	layerSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=HKLmax[izone],minValue=HKLmin[izone],
1985	style=wx.SL_HORIZONTAL\|wx.SL_AUTOTICKS\|wx.SL_LABELS,value=0)
1986	layerSel.SetLineSize(1)
1987	layerSel.SetPageSize(1)
1988	layerSel.Bind(wx.EVT_SLIDER, OnLayerSlider)
1989	layerSizer.Add(layerSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
1990	layerSizer.Add((10,0),0)
1991	mainSizer.Add(layerSizer,1,wx.EXPAND\|wx.RIGHT)
1992
1993
1994	mainSizer.Layout()
1995	G2frame.dataDisplay.SetSizer(mainSizer)
1996	G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame))
1997	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
1998
1999	################################################################################
2000	##### Pattern tree routines
2001	################################################################################
2002
2003	def GetPatternTreeDataNames(G2frame,dataTypes):
2004	names = []
2005	item, cookie = G2frame.PatternTree.GetFirstChild(G2frame.root)
2006	while item:
2007	name = G2frame.PatternTree.GetItemText(item)
2008	if name[:4] in dataTypes:
2009	names.append(name)
2010	item, cookie = G2frame.PatternTree.GetNextChild(G2frame.root, cookie)
2011	return names
2012
2013	def GetPatternTreeItemId(G2frame, parentId, itemText):
2014	item, cookie = G2frame.PatternTree.GetFirstChild(parentId)
2015	while item:
2016	if G2frame.PatternTree.GetItemText(item) == itemText:
2017	return item
2018	item, cookie = G2frame.PatternTree.GetNextChild(parentId, cookie)
2019	return 0
2020
2021	def MovePatternTreeToGrid(G2frame,item):
2022
2023	# print G2frame.PatternTree.GetItemText(item)
2024
2025	oldPage = 0
2026	if G2frame.dataFrame:
2027	SetDataMenuBar(G2frame)
2028	if G2frame.dataFrame.GetLabel() == 'Comments':
2029	try:
2030	data = [G2frame.dataDisplay.GetValue()]
2031	G2frame.dataDisplay.Clear()
2032	Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Comments')
2033	if Id: G2frame.PatternTree.SetItemPyData(Id,data)
2034	except: #clumsy but avoids dead window problem when opening another project
2035	pass
2036	elif G2frame.dataFrame.GetLabel() == 'Notebook':
2037	try:
2038	data = [G2frame.dataDisplay.GetValue()]
2039	G2frame.dataDisplay.Clear()
2040	Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Notebook')
2041	if Id: G2frame.PatternTree.SetItemPyData(Id,data)
2042	except: #clumsy but avoids dead window problem when opening another project
2043	pass
2044	elif 'Phase Data for' in G2frame.dataFrame.GetLabel():
2045	if G2frame.dataDisplay:
2046	oldPage = G2frame.dataDisplay.GetSelection()
2047	G2frame.dataFrame.Clear()
2048	G2frame.dataFrame.SetLabel('')
2049	else:
2050	#create the frame for the data item window
2051	G2frame.dataFrame = DataFrame(parent=G2frame.mainPanel,frame=G2frame)
2052
2053	G2frame.dataFrame.Raise()
2054	G2frame.PickId = 0
2055	parentID = G2frame.root
2056	for i in G2frame.ExportPattern: i.Enable(False)
2057	defWid = [250,150]
2058	if item != G2frame.root:
2059	parentID = G2frame.PatternTree.GetItemParent(item)
2060	if G2frame.PatternTree.GetItemParent(item) == G2frame.root:
2061	G2frame.PatternId = item
2062	G2frame.PickId = item
2063	if G2frame.PatternTree.GetItemText(item) == 'Notebook':
2064	SetDataMenuBar(G2frame,G2frame.dataFrame.DataNotebookMenu)
2065	G2frame.PatternId = 0
2066	for i in G2frame.ExportPattern: i.Enable(False)
2067	data = G2frame.PatternTree.GetItemPyData(item)
2068	UpdateNotebook(G2frame,data)
2069	elif G2frame.PatternTree.GetItemText(item) == 'Controls':
2070	G2frame.PatternId = 0
2071	for i in G2frame.ExportPattern: i.Enable(False)
2072	data = G2frame.PatternTree.GetItemPyData(item)
2073	if not data: #fill in defaults
2074	data = {
2075	#least squares controls
2076	'deriv type':'analytic Hessian','min dM/M':0.0001,'shift factor':1.0,'max cyc':3}
2077	G2frame.PatternTree.SetItemPyData(item,data)
2078	for i in G2frame.Refine: i.Enable(True)
2079	for i in G2frame.SeqRefine: i.Enable(True)
2080	UpdateControls(G2frame,data)
2081	elif G2frame.PatternTree.GetItemText(item) == 'Sequental results':
2082	data = G2frame.PatternTree.GetItemPyData(item)
2083	UpdateSeqResults(G2frame,data)
2084	elif G2frame.PatternTree.GetItemText(item) == 'Covariance':
2085	data = G2frame.PatternTree.GetItemPyData(item)
2086	G2frame.dataFrame.setSizePosLeft(defWid)
2087	text = ''
2088	if 'Rvals' in data:
2089	Nvars = len(data['varyList'])
2090	Rvals = data['Rvals']
2091	text = '\nFinal residuals: \nRw = %.3f%% \nchi**2 = %.1f \nGOF = %.2f'%(Rvals['Rwp'],Rvals['chisq'],Rvals['GOF'])
2092	text += '\nNobs = %d \nNvals = %d'%(Rvals['Nobs'],Nvars)
2093	if 'lamMax' in Rvals:
2094	text += '\nlog10 MaxLambda = %.1f'%(np.log10(Rvals['lamMax']))
2095	wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
2096	value='See plot window for covariance display'+text,style=wx.TE_MULTILINE)
2097	G2plt.PlotCovariance(G2frame,data)
2098	elif G2frame.PatternTree.GetItemText(item) == 'Constraints':
2099	data = G2frame.PatternTree.GetItemPyData(item)
2100	G2cnstG.UpdateConstraints(G2frame,data)
2101	elif G2frame.PatternTree.GetItemText(item) == 'Rigid bodies':
2102	data = G2frame.PatternTree.GetItemPyData(item)
2103	G2cnstG.UpdateRigidBodies(G2frame,data)
2104	elif G2frame.PatternTree.GetItemText(item) == 'Restraints':
2105	data = G2frame.PatternTree.GetItemPyData(item)
2106	Phases = G2frame.GetPhaseData()
2107	phase = ''
2108	phaseName = ''
2109	if Phases:
2110	phaseName = Phases.keys()[0]
2111	G2frame.dataFrame.setSizePosLeft(defWid)
2112	G2restG.UpdateRestraints(G2frame,data,Phases,phaseName)
2113	elif 'IMG' in G2frame.PatternTree.GetItemText(item):
2114	G2frame.Image = item
2115	G2plt.PlotImage(G2frame,newPlot=True)
2116	elif 'PKS' in G2frame.PatternTree.GetItemText(item):
2117	G2plt.PlotPowderLines(G2frame)
2118	elif 'PWDR' in G2frame.PatternTree.GetItemText(item):
2119	for i in G2frame.ExportPattern: i.Enable(True)
2120	UpdatePWHKPlot(G2frame,'PWDR',item)
2121	elif 'HKLF' in G2frame.PatternTree.GetItemText(item):
2122	G2frame.Sngl = item
2123	UpdatePWHKPlot(G2frame,'HKLF',item)
2124	elif 'PDF' in G2frame.PatternTree.GetItemText(item):
2125	G2frame.PatternId = item
2126	for i in G2frame.ExportPDF: i.Enable(True)
2127	G2plt.PlotISFG(G2frame,type='S(Q)')
2128	elif G2frame.PatternTree.GetItemText(item) == 'Phases':
2129	G2frame.dataFrame.setSizePosLeft(defWid)
2130	wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
2131	value='Select one phase to see its parameters')
2132	elif 'I(Q)' in G2frame.PatternTree.GetItemText(item):
2133	G2frame.PickId = item
2134	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2135	G2plt.PlotISFG(G2frame,type='I(Q)',newPlot=True)
2136	elif 'S(Q)' in G2frame.PatternTree.GetItemText(item):
2137	G2frame.PickId = item
2138	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2139	G2plt.PlotISFG(G2frame,type='S(Q)',newPlot=True)
2140	elif 'F(Q)' in G2frame.PatternTree.GetItemText(item):
2141	G2frame.PickId = item
2142	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2143	G2plt.PlotISFG(G2frame,type='F(Q)',newPlot=True)
2144	elif 'G(R)' in G2frame.PatternTree.GetItemText(item):
2145	G2frame.PickId = item
2146	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2147	G2plt.PlotISFG(G2frame,type='G(R)',newPlot=True)
2148	elif G2frame.PatternTree.GetItemText(parentID) == 'Phases':
2149	G2frame.PickId = item
2150	data = G2frame.PatternTree.GetItemPyData(item)
2151	G2phG.UpdatePhaseData(G2frame,item,data,oldPage)
2152	elif G2frame.PatternTree.GetItemText(item) == 'Comments':
2153	SetDataMenuBar(G2frame,G2frame.dataFrame.DataCommentsMenu)
2154	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2155	G2frame.PickId = item
2156	data = G2frame.PatternTree.GetItemPyData(item)
2157	UpdateComments(G2frame,data)
2158	elif G2frame.PatternTree.GetItemText(item) == 'Image Controls':
2159	G2frame.dataFrame.SetTitle('Image Controls')
2160	G2frame.PickId = item
2161	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2162	masks = G2frame.PatternTree.GetItemPyData(
2163	GetPatternTreeItemId(G2frame,G2frame.Image, 'Masks'))
2164	data = G2frame.PatternTree.GetItemPyData(item)
2165	G2imG.UpdateImageControls(G2frame,data,masks)
2166	G2plt.PlotImage(G2frame)
2167	elif G2frame.PatternTree.GetItemText(item) == 'Masks':
2168	G2frame.dataFrame.SetTitle('Masks')
2169	G2frame.PickId = item
2170	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2171	data = G2frame.PatternTree.GetItemPyData(item)
2172	G2imG.UpdateMasks(G2frame,data)
2173	G2plt.PlotImage(G2frame)
2174	elif G2frame.PatternTree.GetItemText(item) == 'Stress/Strain':
2175	G2frame.dataFrame.SetTitle('Stress/Strain')
2176	G2frame.PickId = item
2177	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2178	data = G2frame.PatternTree.GetItemPyData(item)
2179	G2imG.UpdateStressStrain(G2frame,data)
2180	G2plt.PlotImage(G2frame)
2181	elif G2frame.PatternTree.GetItemText(item) == 'HKL Plot Controls':
2182	G2frame.PickId = item
2183	G2frame.Sngl = G2frame.PatternTree.GetItemParent(item)
2184	data = G2frame.PatternTree.GetItemPyData(item)
2185	UpdateHKLControls(G2frame,data)
2186	G2plt.PlotSngl(G2frame)
2187	elif G2frame.PatternTree.GetItemText(item) == 'PDF Controls':
2188	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2189	for i in G2frame.ExportPDF: i.Enable(True)
2190	G2frame.PickId = item
2191	data = G2frame.PatternTree.GetItemPyData(item)
2192	G2pdG.UpdatePDFGrid(G2frame,data)
2193	G2plt.PlotISFG(G2frame,type='I(Q)')
2194	G2plt.PlotISFG(G2frame,type='S(Q)')
2195	G2plt.PlotISFG(G2frame,type='F(Q)')
2196	G2plt.PlotISFG(G2frame,type='G(R)')
2197	elif G2frame.PatternTree.GetItemText(item) == 'Peak List':
2198	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2199	for i in G2frame.ExportPeakList: i.Enable(True)
2200	G2frame.PickId = item
2201	data = G2frame.PatternTree.GetItemPyData(item)
2202	G2pdG.UpdatePeakGrid(G2frame,data)
2203	G2plt.PlotPatterns(G2frame)
2204	elif G2frame.PatternTree.GetItemText(item) == 'Background':
2205	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2206	G2frame.PickId = item
2207	data = G2frame.PatternTree.GetItemPyData(item)
2208	G2pdG.UpdateBackground(G2frame,data)
2209	G2plt.PlotPatterns(G2frame)
2210	elif G2frame.PatternTree.GetItemText(item) == 'Limits':
2211	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2212	G2frame.PickId = item
2213	data = G2frame.PatternTree.GetItemPyData(item)
2214	G2pdG.UpdateLimitsGrid(G2frame,data)
2215	G2plt.PlotPatterns(G2frame)
2216	elif G2frame.PatternTree.GetItemText(item) == 'Instrument Parameters':
2217	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2218	G2frame.PickId = item
2219	data = G2frame.PatternTree.GetItemPyData(item)[0]
2220	G2pdG.UpdateInstrumentGrid(G2frame,data)
2221	G2plt.PlotPeakWidths(G2frame)
2222	elif G2frame.PatternTree.GetItemText(item) == 'Sample Parameters':
2223	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2224	G2frame.PickId = item
2225	data = G2frame.PatternTree.GetItemPyData(item)
2226
2227	if 'Temperature' not in data: #temp fix for old gpx files
2228	data = {'Scale':[1.0,True],'Type':'Debye-Scherrer','Absorption':[0.0,False],'DisplaceX':[0.0,False],
2229	'DisplaceY':[0.0,False],'Diffuse':[],'Temperature':300.,'Pressure':1.0,'Humidity':0.0,'Voltage':0.0,
2230	'Force':0.0,'Gonio. radius':200.0}
2231	G2frame.PatternTree.SetItemPyData(item,data)
2232
2233	G2pdG.UpdateSampleGrid(G2frame,data)
2234	G2plt.PlotPatterns(G2frame)
2235	elif G2frame.PatternTree.GetItemText(item) == 'Index Peak List':
2236	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2237	for i in G2frame.ExportPeakList: i.Enable(True)
2238	G2frame.PickId = item
2239	data = G2frame.PatternTree.GetItemPyData(item)
2240	G2pdG.UpdateIndexPeaksGrid(G2frame,data)
2241	if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId):
2242	G2plt.PlotPowderLines(G2frame)
2243	else:
2244	G2plt.PlotPatterns(G2frame)
2245	elif G2frame.PatternTree.GetItemText(item) == 'Unit Cells List':
2246	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2247	G2frame.PickId = item
2248	data = G2frame.PatternTree.GetItemPyData(item)
2249	if not data:
2250	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
2251	data.append([0,0,0,0,0,0,0,0,0,0,0,0,0,0]) #Bravais lattice flags
2252	data.append([]) #empty cell list
2253	data.append([]) #empty dmin
2254	G2frame.PatternTree.SetItemPyData(item,data)
2255	G2pdG.UpdateUnitCellsGrid(G2frame,data)
2256	if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId):
2257	G2plt.PlotPowderLines(G2frame)
2258	else:
2259	G2plt.PlotPatterns(G2frame)
2260	elif G2frame.PatternTree.GetItemText(item) == 'Reflection Lists': #powder reflections
2261	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2262	G2frame.PickId = item
2263	data = G2frame.PatternTree.GetItemPyData(item)
2264	G2frame.RefList = ''
2265	if len(data):
2266	G2frame.RefList = data.keys()[0]
2267	G2pdG.UpdateReflectionGrid(G2frame,data)
2268	G2plt.PlotPatterns(G2frame)
2269	elif G2frame.PatternTree.GetItemText(item) == 'Reflection List': #HKLF reflections
2270	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2271	name = G2frame.PatternTree.GetItemText(G2frame.PatternId)
2272	data = G2frame.PatternTree.GetItemPyData(G2frame.PatternId)
2273	G2pdG.UpdateReflectionGrid(G2frame,data,HKLF=True,Name=name)
2274
2275	def SetDataMenuBar(G2frame,menu=None):
2276	'''Set the menu for the data frame. On the Mac put this
2277	menu for the data tree window instead.
2278
2279	Note that data frame items do not have menus, for these (menu=None)
2280	display a blank menu or on the Mac display the standard menu for
2281	the data tree window.
2282	'''
2283	if sys.platform == "darwin":
2284	if menu is None:
2285	G2frame.SetMenuBar(G2frame.GSASIIMenu)
2286	else:
2287	G2frame.SetMenuBar(menu)
2288	else:
2289	if menu is None:
2290	G2frame.dataFrame.SetMenuBar(G2frame.dataFrame.BlankMenu)
2291	else:
2292	G2frame.dataFrame.SetMenuBar(menu)

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