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source: trunk/GSASIIgrid.py @ 927

Last change on this file since 927 was 927, checked in by vondreele, 10 years ago
more G2str fixes
Property svn:eol-style set to `native` Property svn:keywords set to `Date Author Revision URL Id`
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1	# -- coding: utf-8 --
2	#GSASIIgrid - data display routines
3	########### SVN repository information ###################
4	# $Date: 2013-05-20 16:06:42 +0000 (Mon, 20 May 2013) $
5	# $Author: vondreele $
6	# $Revision: 927 $
7	# $URL: trunk/GSASIIgrid.py $
8	# $Id: GSASIIgrid.py 927 2013-05-20 16:06:42Z vondreele $
9	########### SVN repository information ###################
10	'''
11	GSASIIgrid: Basic GUI routines
12	--------------------------------
13
14
15	'''
16	import wx
17	import wx.grid as wg
18	import wx.wizard as wz
19	import wx.aui
20	import time
21	import cPickle
22	import sys
23	import numpy as np
24	import numpy.ma as ma
25	import os.path
26	import wx.html # could postpone this for quicker startup
27	import webbrowser # could postpone this for quicker startup
28	import GSASIIpath
29	GSASIIpath.SetVersionNumber("$Revision: 927 $")
30	import GSASIImath as G2mth
31	import GSASIIIO as G2IO
32	import GSASIIlattice as G2lat
33	import GSASIIplot as G2plt
34	import GSASIIpwdGUI as G2pdG
35	import GSASIIimgGUI as G2imG
36	import GSASIIphsGUI as G2phG
37	import GSASIIspc as G2spc
38	import GSASIImapvars as G2mv
39	import GSASIIconstrGUI as G2cnstG
40	import GSASIIrestrGUI as G2restG
41
42	# trig functions in degrees
43	sind = lambda x: np.sin(x*np.pi/180.)
44	tand = lambda x: np.tan(x*np.pi/180.)
45	cosd = lambda x: np.cos(x*np.pi/180.)
46
47	# globals we will use later
48	__version__ = None # gets overridden in GSASII.py
49	path2GSAS2 = os.path.dirname(os.path.realpath(__file__)) # save location of this file
50	helpLocDict = {}
51	htmlPanel = None
52	htmlFrame = None
53	helpMode = 'browser'
54	#if sys.platform.lower().startswith('win'): helpMode = 'internal' # need a global control to set this
55
56	htmlFirstUse = True
57
58	[ wxID_FOURCALC, wxID_FOURSEARCH, wxID_FOURCLEAR, wxID_PEAKSMOVE, wxID_PEAKSCLEAR,
59	wxID_CHARGEFLIP, wxID_PEAKSUNIQUE, wxID_PEAKSDELETE, wxID_PEAKSDA,
60	wxID_PEAKSDISTVP, wxID_PEAKSVIEWPT, wxID_FINDEQVPEAKS,wxID_SHOWBONDS,
61	] = [wx.NewId() for item in range(13)]
62
63	[ wxID_PWDRADD, wxID_HKLFADD,wxID_PWDANALYSIS,wxID_DATADELETE,
64	] = [wx.NewId() for item in range(4)]
65
66	[ wxID_ATOMSEDITADD, wxID_ATOMSEDITINSERT, wxID_ATOMSEDITDELETE, wxID_ATOMSREFINE,
67	wxID_ATOMSMODIFY, wxID_ATOMSTRANSFORM, wxID_ATOMSVIEWADD, wxID_ATOMVIEWINSERT,
68	wxID_RELOADDRAWATOMS,wxID_ATOMSDISAGL,wxID_ATOMMOVE,wxID_RBAPPEND,
69	wxID_ASSIGNATMS2RB
70	] = [wx.NewId() for item in range(13)]
71
72	[ wxID_DRAWATOMSTYLE, wxID_DRAWATOMLABEL, wxID_DRAWATOMCOLOR, wxID_DRAWATOMRESETCOLOR,
73	wxID_DRAWVIEWPOINT, wxID_DRAWTRANSFORM, wxID_DRAWDELETE, wxID_DRAWFILLCELL,
74	wxID_DRAWADDEQUIV, wxID_DRAWFILLCOORD, wxID_DRAWDISAGLTOR, wxID_DRAWPLANE,
75	wxID_DRAWDISTVP,
76	] = [wx.NewId() for item in range(13)]
77
78	[ wxID_DRAWRESTRBOND, wxID_DRAWRESTRANGLE, wxID_DRAWRESTRPLANE, wxID_DRAWRESTRCHIRAL,
79	] = [wx.NewId() for item in range(4)]
80
81	[ wxID_CLEARTEXTURE,wxID_REFINETEXTURE,
82	] = [wx.NewId() for item in range(2)]
83
84	[ wxID_PAWLEYLOAD, wxID_PAWLEYDELETE, wxID_PAWLEYESTIMATE,
85	wxID_PAWLEYUPDATE,
86	] = [wx.NewId() for item in range(4)]
87
88	[ wxID_IMCALIBRATE,wxID_IMRECALIBRATE,wxID_IMINTEGRATE, wxID_IMCLEARCALIB,
89	wxID_IMCOPYCONTROLS, wxID_INTEGRATEALL, wxID_IMSAVECONTROLS, wxID_IMLOADCONTROLS,
90	] = [wx.NewId() for item in range(8)]
91
92	[ wxID_MASKCOPY, wxID_MASKSAVE, wxID_MASKLOAD,
93	] = [wx.NewId() for item in range(3)]
94
95	[ wxID_STRSTACOPY, wxID_STRSTAFIT, wxID_STRSTASAVE, wxID_STRSTALOAD,wxID_APPENDDZERO,
96	] = [wx.NewId() for item in range(5)]
97
98	[ wxID_BACKCOPY,wxID_LIMITCOPY,wxID_SAMPLECOPY, wxID_BACKFLAGCOPY, wxID_SAMPLEFLAGCOPY,
99	wxID_SAMPLESAVE, wxID_SAMPLELOAD,
100	] = [wx.NewId() for item in range(7)]
101
102	[ wxID_INSTPRMRESET,wxID_CHANGEWAVETYPE,wxID_INSTCOPY, wxID_INSTFLAGCOPY, wxID_INSTLOAD,
103	wxID_INSTSAVE,
104	] = [wx.NewId() for item in range(6)]
105
106	[ wxID_UNDO,wxID_LSQPEAKFIT,wxID_LSQONECYCLE,wxID_RESETSIGGAM,wxID_CLEARPEAKS,wxID_AUTOSEARCH,
107	] = [wx.NewId() for item in range(6)]
108
109	[ wxID_INDXRELOAD, wxID_INDEXPEAKS, wxID_REFINECELL, wxID_COPYCELL, wxID_MAKENEWPHASE,
110	] = [wx.NewId() for item in range(5)]
111
112	[ wxID_CONSTRAINTADD,wxID_EQUIVADD,wxID_HOLDADD,wxID_FUNCTADD,
113	] = [wx.NewId() for item in range(4)]
114
115	[ wxID_RESTRAINTADD, wxID_RESTSELPHASE,wxID_RESTDELETE, wxID_RESRCHANGEVAL,
116	wxID_RESTCHANGEESD,wxID_AARESTRAINTADD,wxID_AARESTRAINTPLOT,
117	] = [wx.NewId() for item in range(7)]
118
119	[ wxID_RIGIDBODYADD,wxID_DRAWDEFINERB,wxID_RIGIDBODYIMPORT,wxID_RESIDUETORSSEQ,
120	wxID_AUTOFINDRESRB,wxID_GLOBALRESREFINE,wxID_RBREMOVEALL,wxID_COPYRBPARMS,
121	] = [wx.NewId() for item in range(8)]
122
123	[ wxID_SAVESEQSEL,
124	] = [wx.NewId() for item in range(1)]
125
126	[ wxID_SELECTPHASE,
127	] = [wx.NewId() for item in range(1)]
128
129	[ wxID_PDFCOPYCONTROLS, wxID_PDFSAVECONTROLS, wxID_PDFLOADCONTROLS,
130	wxID_PDFCOMPUTE, wxID_PDFCOMPUTEALL, wxID_PDFADDELEMENT, wxID_PDFDELELEMENT,
131	] = [wx.NewId() for item in range(7)]
132
133	VERY_LIGHT_GREY = wx.Colour(235,235,235)
134
135	################################################################################
136	#### GSAS-II class definitions
137	################################################################################
138
139	class SymOpDialog(wx.Dialog):
140	'''Class to select a symmetry operator
141	'''
142	def __init__(self,parent,SGData,New=True,ForceUnit=False):
143	wx.Dialog.__init__(self,parent,-1,'Select symmetry operator',
144	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
145	panel = wx.Panel(self)
146	self.SGData = SGData
147	self.New = New
148	self.Force = ForceUnit
149	self.OpSelected = [0,0,0,[0,0,0],False,False]
150	mainSizer = wx.BoxSizer(wx.VERTICAL)
151	if ForceUnit:
152	choice = ['No','Yes']
153	self.force = wx.RadioBox(panel,-1,'Force to unit cell?',choices=choice)
154	self.force.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
155	mainSizer.Add(self.force,0,wx.ALIGN_CENTER_VERTICAL)
156	mainSizer.Add((5,5),0)
157	if SGData['SGInv']:
158	choice = ['No','Yes']
159	self.inv = wx.RadioBox(panel,-1,'Choose inversion?',choices=choice)
160	self.inv.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
161	mainSizer.Add(self.inv,0,wx.ALIGN_CENTER_VERTICAL)
162	mainSizer.Add((5,5),0)
163	if SGData['SGLatt'] != 'P':
164	LattOp = G2spc.Latt2text(SGData['SGLatt']).split(';')
165	self.latt = wx.RadioBox(panel,-1,'Choose cell centering?',choices=LattOp)
166	self.latt.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
167	mainSizer.Add(self.latt,0,wx.ALIGN_CENTER_VERTICAL)
168	mainSizer.Add((5,5),0)
169	if SGData['SGLaue'] in ['-1','2/m','mmm','4/m','4/mmm']:
170	Ncol = 2
171	else:
172	Ncol = 3
173	OpList = []
174	for M,T in SGData['SGOps']:
175	OpList.append(G2spc.MT2text(M,T))
176	self.oprs = wx.RadioBox(panel,-1,'Choose space group operator?',choices=OpList,
177	majorDimension=Ncol)
178	self.oprs.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
179	mainSizer.Add(self.oprs,0,wx.ALIGN_CENTER_VERTICAL)
180	mainSizer.Add((5,5),0)
181	mainSizer.Add(wx.StaticText(panel,-1," Choose unit cell?"),0,wx.ALIGN_CENTER_VERTICAL)
182	mainSizer.Add((5,5),0)
183	cellSizer = wx.BoxSizer(wx.HORIZONTAL)
184	cellSizer.Add((5,0),0)
185	cellName = ['X','Y','Z']
186	self.cell = []
187	for i in range(3):
188	self.cell.append(wx.SpinCtrl(panel,-1,cellName[i],size=wx.Size(50,20)))
189	self.cell[-1].SetRange(-3,3)
190	self.cell[-1].SetValue(0)
191	self.cell[-1].Bind(wx.EVT_SPINCTRL, self.OnOpSelect)
192	cellSizer.Add(self.cell[-1],0,wx.ALIGN_CENTER_VERTICAL)
193	mainSizer.Add(cellSizer,0,)
194	if self.New:
195	choice = ['No','Yes']
196	self.new = wx.RadioBox(panel,-1,'Generate new positions?',choices=choice)
197	self.new.Bind(wx.EVT_RADIOBOX, self.OnOpSelect)
198	mainSizer.Add(self.new,0,wx.ALIGN_CENTER_VERTICAL)
199	mainSizer.Add((5,5),0)
200
201	OkBtn = wx.Button(panel,-1,"Ok")
202	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
203	cancelBtn = wx.Button(panel,-1,"Cancel")
204	cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
205	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
206	btnSizer.Add((20,20),1)
207	btnSizer.Add(OkBtn)
208	btnSizer.Add((20,20),1)
209	btnSizer.Add(cancelBtn)
210	btnSizer.Add((20,20),1)
211
212	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
213	panel.SetSizer(mainSizer)
214	panel.Fit()
215	self.Fit()
216
217	def OnOpSelect(self,event):
218	if self.SGData['SGInv']:
219	self.OpSelected[0] = self.inv.GetSelection()
220	if self.SGData['SGLatt'] != 'P':
221	self.OpSelected[1] = self.latt.GetSelection()
222	self.OpSelected[2] = self.oprs.GetSelection()
223	for i in range(3):
224	self.OpSelected[3][i] = float(self.cell[i].GetValue())
225	if self.New:
226	self.OpSelected[4] = self.new.GetSelection()
227	if self.Force:
228	self.OpSelected[5] = self.force.GetSelection()
229
230	def GetSelection(self):
231	return self.OpSelected
232
233	def OnOk(self,event):
234	parent = self.GetParent()
235	parent.Raise()
236	self.EndModal(wx.ID_OK)
237
238	def OnCancel(self,event):
239	parent = self.GetParent()
240	parent.Raise()
241	self.EndModal(wx.ID_CANCEL)
242
243	class DisAglDialog(wx.Dialog):
244	'''Distance Angle Controls dialog
245	'''
246	def __default__(self,data,default):
247	if data:
248	self.data = data
249	else:
250	self.data = {}
251	self.data['Name'] = default['Name']
252	self.data['Factors'] = [0.85,0.85]
253	self.data['AtomTypes'] = default['AtomTypes']
254	self.data['BondRadii'] = default['BondRadii']
255	self.data['AngleRadii'] = default['AngleRadii']
256
257	def __init__(self,parent,data,default):
258	wx.Dialog.__init__(self,parent,-1,'Distance Angle Controls',
259	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
260	self.default = default
261	self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw!
262	self.__default__(data,self.default)
263	self.Draw(self.data)
264
265	def Draw(self,data):
266	self.panel.Destroy()
267	self.panel = wx.Panel(self)
268	mainSizer = wx.BoxSizer(wx.VERTICAL)
269	mainSizer.Add(wx.StaticText(self.panel,-1,'Controls for phase '+data['Name']),
270	0,wx.ALIGN_CENTER_VERTICAL\|wx.LEFT,10)
271	mainSizer.Add((10,10),1)
272
273	radiiSizer = wx.FlexGridSizer(2,3,5,5)
274	radiiSizer.Add(wx.StaticText(self.panel,-1,' Type'),0,wx.ALIGN_CENTER_VERTICAL)
275	radiiSizer.Add(wx.StaticText(self.panel,-1,'Bond radii'),0,wx.ALIGN_CENTER_VERTICAL)
276	radiiSizer.Add(wx.StaticText(self.panel,-1,'Angle radii'),0,wx.ALIGN_CENTER_VERTICAL)
277	self.objList = {}
278	for id,item in enumerate(self.data['AtomTypes']):
279	radiiSizer.Add(wx.StaticText(self.panel,-1,' '+item),0,wx.ALIGN_CENTER_VERTICAL)
280	bRadii = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['BondRadii'][id]),style=wx.TE_PROCESS_ENTER)
281	self.objList[bRadii.GetId()] = ['BondRadii',id]
282	bRadii.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal)
283	bRadii.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal)
284	radiiSizer.Add(bRadii,0,wx.ALIGN_CENTER_VERTICAL)
285	aRadii = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['AngleRadii'][id]),style=wx.TE_PROCESS_ENTER)
286	self.objList[aRadii.GetId()] = ['AngleRadii',id]
287	aRadii.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal)
288	aRadii.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal)
289	radiiSizer.Add(aRadii,0,wx.ALIGN_CENTER_VERTICAL)
290	mainSizer.Add(radiiSizer,0,wx.EXPAND)
291	factorSizer = wx.FlexGridSizer(2,2,5,5)
292	Names = ['Bond','Angle']
293	for i,name in enumerate(Names):
294	factorSizer.Add(wx.StaticText(self.panel,-1,name+' search factor'),0,wx.ALIGN_CENTER_VERTICAL)
295	bondFact = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['Factors'][i]),style=wx.TE_PROCESS_ENTER)
296	self.objList[bondFact.GetId()] = ['Factors',i]
297	bondFact.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal)
298	bondFact.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal)
299	factorSizer.Add(bondFact)
300	mainSizer.Add(factorSizer,0,wx.EXPAND)
301
302	OkBtn = wx.Button(self.panel,-1,"Ok")
303	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
304	ResetBtn = wx.Button(self.panel,-1,'Reset')
305	ResetBtn.Bind(wx.EVT_BUTTON, self.OnReset)
306	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
307	btnSizer.Add((20,20),1)
308	btnSizer.Add(OkBtn)
309	btnSizer.Add(ResetBtn)
310	btnSizer.Add((20,20),1)
311	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
312	self.panel.SetSizer(mainSizer)
313	self.panel.Fit()
314	self.Fit()
315
316	def OnRadiiVal(self,event):
317	Obj = event.GetEventObject()
318	item = self.objList[Obj.GetId()]
319	try:
320	self.data[item[0]][item[1]] = float(Obj.GetValue())
321	except ValueError:
322	pass
323	Obj.SetValue("%.3f"%(self.data[item[0]][item[1]])) #reset in case of error
324
325	def GetData(self):
326	return self.data
327
328	def OnOk(self,event):
329	parent = self.GetParent()
330	parent.Raise()
331	self.EndModal(wx.ID_OK)
332
333	def OnReset(self,event):
334	data = {}
335	self.__default__(data,self.default)
336	self.Draw(self.data)
337
338	class PickTwoDialog(wx.Dialog):
339	'''This does not seem to be in use
340	'''
341	def __init__(self,parent,title,prompt,names,choices):
342	wx.Dialog.__init__(self,parent,-1,title,
343	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
344	self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw!
345	self.prompt = prompt
346	self.choices = choices
347	self.names = names
348	self.Draw()
349
350	def Draw(self):
351	Indx = {}
352
353	def OnSelection(event):
354	Obj = event.GetEventObject()
355	id = Indx[Obj.GetId()]
356	self.choices[id] = Obj.GetValue().encode() #to avoid Unicode versions
357	self.Draw()
358
359	self.panel.DestroyChildren()
360	self.panel.Destroy()
361	self.panel = wx.Panel(self)
362	mainSizer = wx.BoxSizer(wx.VERTICAL)
363	mainSizer.Add(wx.StaticText(self.panel,-1,self.prompt),0,wx.ALIGN_CENTER)
364	for isel,name in enumerate(self.choices):
365	lineSizer = wx.BoxSizer(wx.HORIZONTAL)
366	lineSizer.Add(wx.StaticText(self.panel,-1,'Reference atom '+str(isel+1)),0,wx.ALIGN_CENTER)
367	nameList = self.names[:]
368	if isel:
369	if self.choices[0] in nameList:
370	nameList.remove(self.choices[0])
371	choice = wx.ComboBox(self.panel,-1,value=name,choices=nameList,
372	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
373	Indx[choice.GetId()] = isel
374	choice.Bind(wx.EVT_COMBOBOX, OnSelection)
375	lineSizer.Add(choice,0,wx.ALIGN_CENTER)
376	mainSizer.Add(lineSizer)
377	OkBtn = wx.Button(self.panel,-1,"Ok")
378	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
379	CancelBtn = wx.Button(self.panel,-1,'Cancel')
380	CancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
381	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
382	btnSizer.Add((20,20),1)
383	btnSizer.Add(OkBtn)
384	btnSizer.Add(CancelBtn)
385	btnSizer.Add((20,20),1)
386	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
387	self.panel.SetSizer(mainSizer)
388	self.panel.Fit()
389	self.Fit()
390
391	def GetSelection(self):
392	return self.choices
393
394	def OnOk(self,event):
395	parent = self.GetParent()
396	parent.Raise()
397	self.EndModal(wx.ID_OK)
398
399	def OnCancel(self,event):
400	parent = self.GetParent()
401	parent.Raise()
402	self.EndModal(wx.ID_CANCEL)
403
404	class SingleFloatDialog(wx.Dialog):
405	'Dialog to obtain a single float value from user'
406	def __init__(self,parent,title,prompt,value,limits=[0.,1.],format='%.5g'):
407	wx.Dialog.__init__(self,parent,-1,title,
408	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
409	self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw!
410	self.limits = limits
411	self.value = value
412	self.prompt = prompt
413	self.format = format
414	self.Draw()
415
416	def Draw(self):
417
418	def OnValItem(event):
419	try:
420	val = float(valItem.GetValue())
421	if val < self.limits[0] or val > self.limits[1]:
422	raise ValueError
423	except ValueError:
424	val = self.value
425	self.value = val
426	valItem.SetValue(self.format%(self.value))
427
428	self.panel.Destroy()
429	self.panel = wx.Panel(self)
430	mainSizer = wx.BoxSizer(wx.VERTICAL)
431	mainSizer.Add(wx.StaticText(self.panel,-1,self.prompt),0,wx.ALIGN_CENTER)
432	valItem = wx.TextCtrl(self.panel,-1,value=self.format%(self.value),style=wx.TE_PROCESS_ENTER)
433	mainSizer.Add(valItem,0,wx.ALIGN_CENTER)
434	valItem.Bind(wx.EVT_TEXT_ENTER,OnValItem)
435	valItem.Bind(wx.EVT_KILL_FOCUS,OnValItem)
436	OkBtn = wx.Button(self.panel,-1,"Ok")
437	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
438	CancelBtn = wx.Button(self.panel,-1,'Cancel')
439	CancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
440	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
441	btnSizer.Add((20,20),1)
442	btnSizer.Add(OkBtn)
443	btnSizer.Add(CancelBtn)
444	btnSizer.Add((20,20),1)
445	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
446	self.panel.SetSizer(mainSizer)
447	self.panel.Fit()
448	self.Fit()
449
450	def GetValue(self):
451	return self.value
452
453	def OnOk(self,event):
454	parent = self.GetParent()
455	parent.Raise()
456	self.EndModal(wx.ID_OK)
457
458	def OnCancel(self,event):
459	parent = self.GetParent()
460	parent.Raise()
461	self.EndModal(wx.ID_CANCEL)
462
463	class GridFractionEditor(wg.PyGridCellEditor):
464	'''A grid cell editor class that allows entry of values as fractions as well
465	as sine and cosine values [as s() and c()]
466	'''
467	def __init__(self,grid):
468	wg.PyGridCellEditor.__init__(self)
469
470	def Create(self, parent, id, evtHandler):
471	self._tc = wx.TextCtrl(parent, id, "")
472	self._tc.SetInsertionPoint(0)
473	self.SetControl(self._tc)
474
475	if evtHandler:
476	self._tc.PushEventHandler(evtHandler)
477
478	self._tc.Bind(wx.EVT_CHAR, self.OnChar)
479
480	def SetSize(self, rect):
481	self._tc.SetDimensions(rect.x, rect.y, rect.width+2, rect.height+2,
482	wx.SIZE_ALLOW_MINUS_ONE)
483
484	def BeginEdit(self, row, col, grid):
485	self.startValue = grid.GetTable().GetValue(row, col)
486	self._tc.SetValue(str(self.startValue))
487	self._tc.SetInsertionPointEnd()
488	self._tc.SetFocus()
489	self._tc.SetSelection(0, self._tc.GetLastPosition())
490
491	def EndEdit(self, row, col, grid):
492	changed = False
493
494	val = self._tc.GetValue().lower()
495
496	if val != self.startValue:
497	changed = True
498	neg = False
499	if '-' in val:
500	neg = True
501	if '/' in val and '.' not in val:
502	val += '.'
503	elif 's' in val and not 'sind(' in val:
504	if neg:
505	val = '-sind('+val.strip('-s')+')'
506	else:
507	val = 'sind('+val.strip('s')+')'
508	elif 'c' in val and not 'cosd(' in val:
509	if neg:
510	val = '-cosd('+val.strip('-c')+')'
511	else:
512	val = 'cosd('+val.strip('c')+')'
513	try:
514	val = float(eval(val))
515	except (SyntaxError,NameError):
516	val = self.startValue
517	grid.GetTable().SetValue(row, col, val) # update the table
518
519	self.startValue = ''
520	self._tc.SetValue('')
521	return changed
522
523	def Reset(self):
524	self._tc.SetValue(self.startValue)
525	self._tc.SetInsertionPointEnd()
526
527	def Clone(self):
528	return GridFractionEditor(grid)
529
530	def StartingKey(self, evt):
531	self.OnChar(evt)
532	if evt.GetSkipped():
533	self._tc.EmulateKeyPress(evt)
534
535	def OnChar(self, evt):
536	key = evt.GetKeyCode()
537	if key == 15:
538	return
539	if key > 255:
540	evt.Skip()
541	return
542	char = chr(key)
543	if char in '.+-/0123456789cosind()':
544	self._tc.WriteText(char)
545	else:
546	evt.Skip()
547
548	class MyHelp(wx.Menu):
549	'''
550	A class that creates the contents of a help menu.
551	The menu will start with two entries:
552
553	* 'Help on <helpType>': where helpType is a reference to an HTML page to
554	be opened
555	* About: opens an About dialog using OnHelpAbout. N.B. on the Mac this
556	gets moved to the App menu to be consistent with Apple style.
557
558	NOTE: for this to work properly with respect to system menus, the title
559	for the menu must be &Help, or it will not be processed properly:
560
561	::
562
563	menu.Append(menu=MyHelp(self,...),title="&Help")
564
565	'''
566	def __init__(self,frame,helpType=None,helpLbl=None,morehelpitems=[],title=''):
567	wx.Menu.__init__(self,title)
568	self.HelpById = {}
569	self.frame = frame
570	self.Append(help='', id=wx.ID_ABOUT, kind=wx.ITEM_NORMAL,
571	text='&About GSAS-II')
572	frame.Bind(wx.EVT_MENU, self.OnHelpAbout, id=wx.ID_ABOUT)
573	if GSASIIpath.whichsvn():
574	helpobj = self.Append(
575	help='', id=wx.ID_ANY, kind=wx.ITEM_NORMAL,
576	text='&Check for updates')
577	frame.Bind(wx.EVT_MENU, self.OnCheckUpdates, helpobj)
578	for lbl,indx in morehelpitems:
579	helpobj = self.Append(text=lbl,
580	id=wx.ID_ANY, kind=wx.ITEM_NORMAL)
581	frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj)
582	self.HelpById[helpobj.GetId()] = indx
583	# add a help item only when helpType is specified
584	if helpType is not None:
585	self.AppendSeparator()
586	if helpLbl is None: helpLbl = helpType
587	helpobj = self.Append(text='Help on '+helpLbl,
588	id=wx.ID_ANY, kind=wx.ITEM_NORMAL)
589	frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj)
590	self.HelpById[helpobj.GetId()] = helpType
591
592	def OnHelpById(self,event):
593	'''Called when Help on... is pressed in a menu. Brings up
594	a web page for documentation.
595	'''
596	helpType = self.HelpById.get(event.GetId())
597	if helpType is None:
598	print 'Error: help lookup failed!',event.GetEventObject()
599	print 'id=',event.GetId()
600	else:
601	ShowHelp(helpType,self.frame)
602
603	def OnHelpAbout(self, event):
604	"Display an 'About GSAS-II' box"
605	global __version__
606	info = wx.AboutDialogInfo()
607	info.Name = 'GSAS-II'
608	info.Version = __version__ + ' Revision '+str(GSASIIpath.GetVersionNumber())
609	info.Copyright = '''
610	Robert B. Von Dreele & Brian H. Toby
611	Argonne National Laboratory(C)
612	This product includes software developed
613	by the UChicago Argonne, LLC, as
614	Operator of Argonne National Laboratory.
615	Please cite:
616	B.H. Toby & R.B. Von Dreele, J. Appl. Cryst. 46, 544-549 (2013) '''
617	info.Description = '''
618	General Structure Analysis System - GSAS-II
619	'''
620	wx.AboutBox(info)
621
622	def OnCheckUpdates(self,event):
623	'''Check if the GSAS-II repository has an update for the current source files
624	and perform that update if requested.
625	'''
626	if not GSASIIpath.whichsvn():
627	dlg = wx.MessageDialog(self,'No Subversion','Cannot update GSAS-II because subversion (svn) '+
628	'was not found.'
629	,wx.OK)
630	dlg.ShowModal()
631	return
632	wx.BeginBusyCursor()
633	local = GSASIIpath.svnGetRev()
634	if local is None:
635	wx.EndBusyCursor()
636	dlg = wx.MessageDialog(self.frame,
637	'Unable to run subversion on the GSAS-II current directory. Is GSAS-II installed correctly?',
638	'Subversion error',
639	wx.OK)
640	dlg.ShowModal()
641	return
642	print 'Installed GSAS-II version: '+local
643	repos = GSASIIpath.svnGetRev(local=False)
644	wx.EndBusyCursor()
645	if repos is None:
646	dlg = wx.MessageDialog(self.frame,
647	'Unable to access the GSAS-II server. Is this computer on the internet?',
648	'Server unavailable',
649	wx.OK)
650	dlg.ShowModal()
651	return
652	print 'GSAS-II version on server: '+repos
653	if local == repos:
654	dlg = wx.MessageDialog(self.frame,
655	'GSAS-II is up-to-date. Version '+local+' is already loaded.',
656	'GSAS-II Up-to-date',
657	wx.OK)
658	dlg.ShowModal()
659	return
660	mods = GSASIIpath.svnFindLocalChanges()
661	if mods:
662	dlg = wx.MessageDialog(self.frame,
663	'You have version '+local+
664	' of GSAS-II installed, but the current version is '+repos+
665	'. However, you have modified '+str(len(mods))+
666	' file(s) on your local computer have been modified.'
667	' Updating could wipe out your local changes. Press OK to start an update:',
668	'Local GSAS-II Mods',
669	wx.OK\|wx.CANCEL)
670	if dlg.ShowModal() != wx.ID_OK: return
671	else:
672	dlg = wx.MessageDialog(self.frame,
673	'You have version '+local+
674	' of GSAS-II installed, but the current version is '+repos+
675	'. Press OK to start an update:',
676	'GSAS-II Updates',
677	wx.OK\|wx.CANCEL)
678	if dlg.ShowModal() != wx.ID_OK: return
679	print 'start updates'
680	wx.BeginBusyCursor()
681	moddict = GSASIIpath.svnUpdateDir()
682	wx.EndBusyCursor()
683	if moddict is None:
684	dlg = wx.MessageDialog(self.frame,
685	'Error accessing the GSAS-II server or performing the update. '+
686	'Try again later or perform a manual update',
687	'Update Error',
688	wx.OK)
689	dlg.ShowModal()
690	return
691	modsbytype = {}
692	for key in moddict:
693	typ = moddict[key]
694	if modsbytype.get(typ) is None:
695	modsbytype[typ] = []
696	modsbytype[typ].append(key)
697	msg = 'Update was completed. Changes will take effect when GSAS-II is next updated. The following files were updated, ordered by status:'
698	for key in modsbytype:
699	msg += '\n' + key + ':\n\t'
700	for fil in modsbytype:
701	msg += fil + ', '
702	dlg = wx.MessageDialog(self.frame,msg, 'Update Completed', wx.OK)
703	dlg.ShowModal()
704	return
705
706	class AddHelp(wx.Menu):
707	'''This class a single entry for the help menu (used on the Mac only):
708	'Help on <helpType>': where helpType is a reference to an HTML page to
709	be opened
710
711	NOTE: the title when appending this menu should be '&Help' so the wx handles
712	it correctly.
713	'''
714	def __init__(self,frame,helpType,helpLbl=None,title=''):
715	wx.Menu.__init__(self,title)
716	self.frame = frame
717	if helpLbl is None: helpLbl = helpType
718	# add a help item only when helpType is specified
719	helpobj = self.Append(text='Help on '+helpLbl,
720	id=wx.ID_ANY, kind=wx.ITEM_NORMAL)
721	frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj)
722	self.HelpById = helpType
723
724	def OnHelpById(self,event):
725	'''Called when Help on... is pressed in a menu. Brings up
726	a web page for documentation.
727	'''
728	ShowHelp(self.HelpById,self.frame)
729
730	class MyHtmlPanel(wx.Panel):
731	'''Defines a panel to display Help information'''
732	def __init__(self, frame, id):
733	self.frame = frame
734	wx.Panel.__init__(self, frame, id)
735	sizer = wx.BoxSizer(wx.VERTICAL)
736	back = wx.Button(self, -1, "Back")
737	back.Bind(wx.EVT_BUTTON, self.OnBack)
738	self.htmlwin = G2HtmlWindow(self, id, size=(750,450))
739	sizer.Add(self.htmlwin, 1,wx.EXPAND)
740	sizer.Add(back, 0, wx.ALIGN_LEFT, 0)
741	self.SetSizer(sizer)
742	sizer.Fit(frame)
743	self.Bind(wx.EVT_SIZE,self.OnHelpSize)
744	def OnHelpSize(self,event): #does the job but weirdly!!
745	anchor = self.htmlwin.GetOpenedAnchor()
746	if anchor:
747	self.htmlwin.ScrollToAnchor(anchor)
748	wx.CallAfter(self.htmlwin.ScrollToAnchor,anchor)
749	event.Skip()
750	def OnBack(self, event):
751	self.htmlwin.HistoryBack()
752	def LoadFile(self,file):
753	pos = file.rfind('#')
754	if pos != -1:
755	helpfile = file[:pos]
756	helpanchor = file[pos+1:]
757	else:
758	helpfile = file
759	helpanchor = None
760	self.htmlwin.LoadPage(helpfile)
761	if helpanchor is not None:
762	self.htmlwin.ScrollToAnchor(helpanchor)
763	xs,ys = self.htmlwin.GetViewStart()
764	self.htmlwin.Scroll(xs,ys-1)
765
766	class G2HtmlWindow(wx.html.HtmlWindow):
767	'''Displays help information in a primitive HTML browser type window
768	'''
769	def __init__(self, parent, args, *kwargs):
770	self.parent = parent
771	wx.html.HtmlWindow.__init__(self, parent, args, *kwargs)
772	def LoadPage(self, args, *kwargs):
773	wx.html.HtmlWindow.LoadPage(self, args, *kwargs)
774	self.TitlePage()
775	def OnLinkClicked(self, args, *kwargs):
776	wx.html.HtmlWindow.OnLinkClicked(self, args, *kwargs)
777	xs,ys = self.GetViewStart()
778	self.Scroll(xs,ys-1)
779	self.TitlePage()
780	def HistoryBack(self, args, *kwargs):
781	wx.html.HtmlWindow.HistoryBack(self, args, *kwargs)
782	self.TitlePage()
783	def TitlePage(self):
784	self.parent.frame.SetTitle(self.GetOpenedPage() + ' -- ' +
785	self.GetOpenedPageTitle())
786
787	class DataFrame(wx.Frame):
788	'''Create the dataframe window and all the entries in menus.
789	The binding is for the menus is not done here, but rather is done
790	where the functions can be accessed (in various GSASII*GUI modules).
791	'''
792	def Bind(self,args,*kwargs):
793	'''Override the Bind() function: on the Mac the binding is to
794	the main window, so that menus operate with any window on top.
795	For other platforms, call the default wx.Frame Bind()
796	'''
797	if sys.platform == "darwin": # mac
798	self.G2frame.Bind(args,*kwargs)
799	else:
800	wx.Frame.Bind(self,args,*kwargs)
801
802	def PrefillDataMenu(self,menu,helpType,helpLbl=None,empty=False):
803	'''Create the "standard" part of data frame menus. Note that on Linux and
804	Windows nothing happens here. On Mac, this menu duplicates the
805	tree menu, but adds an extra help command for the data item and a separator.
806	'''
807	self.datamenu = menu
808	self.helpType = helpType
809	self.helpLbl = helpLbl
810	if sys.platform == "darwin": # mac
811	self.G2frame.FillMainMenu(menu) # add the data tree menu items
812	if not empty:
813	menu.Append(wx.Menu(title=''),title='\|') # add a separator
814
815	def PostfillDataMenu(self,empty=False):
816	'''Create the "standard" part of data frame menus. Note that on Linux and
817	Windows, this is the standard help Menu. On Mac, this menu duplicates the
818	tree menu, but adds an extra help command for the data item and a separator.
819	'''
820	menu = self.datamenu
821	helpType = self.helpType
822	helpLbl = self.helpLbl
823	if sys.platform == "darwin": # mac
824	if not empty:
825	menu.Append(wx.Menu(title=''),title='\|') # add another separator
826	menu.Append(AddHelp(self.G2frame,helpType=helpType, helpLbl=helpLbl),
827	title='&Help')
828	else: # other
829	menu.Append(menu=MyHelp(self,helpType=helpType, helpLbl=helpLbl),
830	title='&Help')
831
832	def _init_menus(self):
833	'define all GSAS-II data frame menus'
834
835	# for use where no menu or data frame help is provided
836	self.BlankMenu = wx.MenuBar()
837
838	# Controls
839	self.ControlsMenu = wx.MenuBar()
840	self.PrefillDataMenu(self.ControlsMenu,helpType='Controls',empty=True)
841	self.PostfillDataMenu(empty=True)
842
843	# Notebook
844	self.DataNotebookMenu = wx.MenuBar()
845	self.PrefillDataMenu(self.DataNotebookMenu,helpType='Notebook',empty=True)
846	self.PostfillDataMenu(empty=True)
847
848	# Comments
849	self.DataCommentsMenu = wx.MenuBar()
850	self.PrefillDataMenu(self.DataCommentsMenu,helpType='Comments',empty=True)
851	self.PostfillDataMenu(empty=True)
852
853	# Constraints
854	self.ConstraintMenu = wx.MenuBar()
855	self.PrefillDataMenu(self.ConstraintMenu,helpType='Constraints')
856	self.ConstraintEdit = wx.Menu(title='')
857	self.ConstraintMenu.Append(menu=self.ConstraintEdit, title='Edit')
858	self.ConstraintEdit.Append(id=wxID_HOLDADD, kind=wx.ITEM_NORMAL,text='Add hold',
859	help='Add hold on a parameter value')
860	self.ConstraintEdit.Append(id=wxID_EQUIVADD, kind=wx.ITEM_NORMAL,text='Add equivalence',
861	help='Add equivalence between parameter values')
862	self.ConstraintEdit.Append(id=wxID_CONSTRAINTADD, kind=wx.ITEM_NORMAL,text='Add constraint',
863	help='Add constraint on parameter values')
864	self.ConstraintEdit.Append(id=wxID_FUNCTADD, kind=wx.ITEM_NORMAL,text='Add New Var',
865	help='Add variable composed of existing parameter')
866	self.PostfillDataMenu()
867
868	# Rigid bodies
869	self.VectorRBEdit = wx.Menu(title='')
870	self.VectorRBEdit.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Add rigid body',
871	help='Add vector rigid body')
872	self.ResidueRBMenu = wx.Menu(title='')
873	self.ResidueRBMenu.Append(id=wxID_RIGIDBODYIMPORT, kind=wx.ITEM_NORMAL,text='Import XYZ',
874	help='Import rigid body XYZ from file')
875	self.ResidueRBMenu.Append(id=wxID_RESIDUETORSSEQ, kind=wx.ITEM_NORMAL,text='Define sequence',
876	help='Define torsion sequence')
877	self.ResidueRBMenu.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Import residues',
878	help='Import residue rigid bodies from macro file')
879
880	self.RigidBodyMenu = wx.MenuBar()
881	self.PrefillDataMenu(self.RigidBodyMenu,helpType='Rigid bodies')
882	self.RigidBodyMenu.Append(menu=self.VectorRBEdit, title='Edit')
883	self.PostfillDataMenu()
884
885	# Restraints
886	self.RestraintEdit = wx.Menu(title='')
887	self.RestraintEdit.Append(id=wxID_RESTSELPHASE, kind=wx.ITEM_NORMAL,text='Select phase',
888	help='Select phase')
889	self.RestraintEdit.Append(id=wxID_RESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add restraints',
890	help='Add restraints')
891	self.RestraintEdit.Enable(wxID_RESTRAINTADD,True) #gets disenabled if macromolecule phase
892	self.RestraintEdit.Append(id=wxID_AARESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add residue restraints',
893	help='Add residue based restraints for macromolecules from macro file')
894	self.RestraintEdit.Enable(wxID_AARESTRAINTADD,False) #gets enabled if macromolecule phase
895	self.RestraintEdit.Append(id=wxID_AARESTRAINTPLOT, kind=wx.ITEM_NORMAL,text='Plot residue restraints',
896	help='Plot selected residue based restraints for macromolecules from macro file')
897	self.RestraintEdit.Enable(wxID_AARESTRAINTPLOT,False) #gets enabled if macromolecule phase
898	self.RestraintEdit.Append(id=wxID_RESRCHANGEVAL, kind=wx.ITEM_NORMAL,text='Change value',
899	help='Change observed value')
900	self.RestraintEdit.Append(id=wxID_RESTCHANGEESD, kind=wx.ITEM_NORMAL,text='Change esd',
901	help='Change esd in observed value')
902	self.RestraintEdit.Append(id=wxID_RESTDELETE, kind=wx.ITEM_NORMAL,text='Delete restraints',
903	help='Delete selected restraints')
904
905	self.RestraintMenu = wx.MenuBar()
906	self.PrefillDataMenu(self.RestraintMenu,helpType='Restraints')
907	self.RestraintMenu.Append(menu=self.RestraintEdit, title='Edit')
908	self.PostfillDataMenu()
909
910	# Sequential results
911	self.SequentialMenu = wx.MenuBar()
912	self.PrefillDataMenu(self.SequentialMenu,helpType='Sequential',helpLbl='Sequential Refinement')
913	self.SequentialFile = wx.Menu(title='')
914	self.SequentialMenu.Append(menu=self.SequentialFile, title='File')
915	self.SequentialFile.Append(id=wxID_SAVESEQSEL, kind=wx.ITEM_NORMAL,text='Save...',
916	help='Save selected sequential refinement results')
917	self.PostfillDataMenu()
918
919	# PDR
920	self.ErrorMenu = wx.MenuBar()
921	self.PrefillDataMenu(self.ErrorMenu,helpType='PWD Analysis',helpLbl='Powder Fit Error Analysis')
922	self.ErrorAnal = wx.Menu(title='')
923	self.ErrorMenu.Append(menu=self.ErrorAnal,title='Analysis')
924	self.ErrorAnal.Append(id=wxID_PWDANALYSIS,kind=wx.ITEM_NORMAL,text='Analyze',
925	help='Error analysis on powder pattern')
926	self.PostfillDataMenu()
927
928	# PDR / Limits
929	self.LimitMenu = wx.MenuBar()
930	self.PrefillDataMenu(self.LimitMenu,helpType='Limits')
931	self.LimitEdit = wx.Menu(title='')
932	self.LimitMenu.Append(menu=self.LimitEdit, title='File')
933	self.LimitEdit.Append(id=wxID_LIMITCOPY, kind=wx.ITEM_NORMAL,text='Copy',
934	help='Copy limits to other histograms')
935	self.PostfillDataMenu()
936
937	# PDR / Background
938	self.BackMenu = wx.MenuBar()
939	self.PrefillDataMenu(self.BackMenu,helpType='Background')
940	self.BackEdit = wx.Menu(title='')
941	self.BackMenu.Append(menu=self.BackEdit, title='File')
942	self.BackEdit.Append(id=wxID_BACKCOPY, kind=wx.ITEM_NORMAL,text='Copy',
943	help='Copy background parameters to other histograms')
944	self.BackEdit.Append(id=wxID_BACKFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
945	help='Copy background refinement flags to other histograms')
946	self.PostfillDataMenu()
947
948	# PDR / Instrument Parameters
949	self.InstMenu = wx.MenuBar()
950	self.PrefillDataMenu(self.InstMenu,helpType='Instrument Parameters')
951	self.InstEdit = wx.Menu(title='')
952	self.InstMenu.Append(menu=self.InstEdit, title='Operations')
953	self.InstEdit.Append(help='Reset instrument profile parameters to default',
954	id=wxID_INSTLOAD, kind=wx.ITEM_NORMAL,text='Load profile...')
955	self.InstEdit.Append(help='Load instrument profile parameters from file',
956	id=wxID_INSTSAVE, kind=wx.ITEM_NORMAL,text='Save profile...')
957	self.InstEdit.Append(help='Save instrument profile parameters to file',
958	id=wxID_INSTPRMRESET, kind=wx.ITEM_NORMAL,text='Reset profile')
959	self.InstEdit.Append(help='Copy instrument profile parameters to other histograms',
960	id=wxID_INSTCOPY, kind=wx.ITEM_NORMAL,text='Copy')
961	self.InstEdit.Append(id=wxID_INSTFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
962	help='Copy instrument parameter refinement flags to other histograms')
963	# self.InstEdit.Append(help='Change radiation type (Ka12 - synch)',
964	# id=wxID_CHANGEWAVETYPE, kind=wx.ITEM_NORMAL,text='Change radiation')
965	self.PostfillDataMenu()
966
967	# PDR / Sample Parameters
968	self.SampleMenu = wx.MenuBar()
969	self.PrefillDataMenu(self.SampleMenu,helpType='Sample Parameters')
970	self.SampleEdit = wx.Menu(title='')
971	self.SampleMenu.Append(menu=self.SampleEdit, title='File')
972	self.SampleEdit.Append(id=wxID_SAMPLELOAD, kind=wx.ITEM_NORMAL,text='Load',
973	help='Load sample parameters from file')
974	self.SampleEdit.Append(id=wxID_SAMPLESAVE, kind=wx.ITEM_NORMAL,text='Save',
975	help='Save sample parameters to file')
976	self.SampleEdit.Append(id=wxID_SAMPLECOPY, kind=wx.ITEM_NORMAL,text='Copy',
977	help='Copy refinable sample parameters to other histograms')
978	self.SampleEdit.Append(id=wxID_SAMPLEFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags',
979	help='Copy sample parameter refinement flags to other histograms')
980	self.PostfillDataMenu()
981
982	# PDR / Peak List
983	self.PeakMenu = wx.MenuBar()
984	self.PrefillDataMenu(self.PeakMenu,helpType='Peak List')
985	self.PeakEdit = wx.Menu(title='')
986	self.PeakMenu.Append(menu=self.PeakEdit, title='Peak Fitting')
987	self.AutoSearch = self.PeakEdit.Append(help='Automatic peak search',
988	id=wxID_AUTOSEARCH, kind=wx.ITEM_NORMAL,text='Auto search')
989	self.UnDo = self.PeakEdit.Append(help='Undo last least squares refinement',
990	id=wxID_UNDO, kind=wx.ITEM_NORMAL,text='UnDo')
991	self.PeakFit = self.PeakEdit.Append(id=wxID_LSQPEAKFIT, kind=wx.ITEM_NORMAL,text='LSQ PeakFit',
992	help='Peak fitting via least-squares' )
993	self.PFOneCycle = self.PeakEdit.Append(id=wxID_LSQONECYCLE, kind=wx.ITEM_NORMAL,text='LSQ one cycle',
994	help='One cycle of Peak fitting via least-squares' )
995	self.PeakEdit.Append(id=wxID_RESETSIGGAM, kind=wx.ITEM_NORMAL,
996	text='Reset sig and gam',help='Reset sigma and gamma to global fit' )
997	self.PeakEdit.Append(id=wxID_CLEARPEAKS, kind=wx.ITEM_NORMAL,text='Clear peaks',
998	help='Clear the peak list' )
999	self.PostfillDataMenu()
1000	self.UnDo.Enable(False)
1001	self.PeakFit.Enable(False)
1002	self.PFOneCycle.Enable(False)
1003
1004	# PDR / Index Peak List
1005	self.IndPeaksMenu = wx.MenuBar()
1006	self.PrefillDataMenu(self.IndPeaksMenu,helpType='Index Peak List')
1007	self.IndPeaksEdit = wx.Menu(title='')
1008	self.IndPeaksMenu.Append(menu=self.IndPeaksEdit,title='Operations')
1009	self.IndPeaksEdit.Append(help='Load/Reload index peaks from peak list',id=wxID_INDXRELOAD,
1010	kind=wx.ITEM_NORMAL,text='Load/Reload')
1011	self.PostfillDataMenu()
1012
1013	# PDR / Unit Cells List
1014	self.IndexMenu = wx.MenuBar()
1015	self.PrefillDataMenu(self.IndexMenu,helpType='Unit Cells List')
1016	self.IndexEdit = wx.Menu(title='')
1017	self.IndexMenu.Append(menu=self.IndexEdit, title='Cell Index/Refine')
1018	self.IndexPeaks = self.IndexEdit.Append(help='', id=wxID_INDEXPEAKS, kind=wx.ITEM_NORMAL,
1019	text='Index Cell')
1020	self.CopyCell = self.IndexEdit.Append( id=wxID_COPYCELL, kind=wx.ITEM_NORMAL,text='Copy Cell',
1021	help='Copy selected unit cell from indexing to cell refinement fields')
1022	self.RefineCell = self.IndexEdit.Append( id=wxID_REFINECELL, kind=wx.ITEM_NORMAL,
1023	text='Refine Cell',help='Refine unit cell parameters from indexed peaks')
1024	self.MakeNewPhase = self.IndexEdit.Append( id=wxID_MAKENEWPHASE, kind=wx.ITEM_NORMAL,
1025	text='Make new phase',help='Make new phase from selected unit cell')
1026	self.PostfillDataMenu()
1027	self.IndexPeaks.Enable(False)
1028	self.CopyCell.Enable(False)
1029	self.RefineCell.Enable(False)
1030	self.MakeNewPhase.Enable(False)
1031
1032	# PDR / Reflection Lists
1033	self.ReflMenu = wx.MenuBar()
1034	self.PrefillDataMenu(self.ReflMenu,helpType='Reflection List')
1035	self.ReflEdit = wx.Menu(title='')
1036	self.ReflMenu.Append(menu=self.ReflEdit, title='Reflection List')
1037	self.SelectPhase = self.ReflEdit.Append(help='Select phase for reflection list',id=wxID_SELECTPHASE,
1038	kind=wx.ITEM_NORMAL,text='Select phase')
1039	self.PostfillDataMenu()
1040
1041	# IMG / Image Controls
1042	self.ImageMenu = wx.MenuBar()
1043	self.PrefillDataMenu(self.ImageMenu,helpType='Image Controls')
1044	self.ImageEdit = wx.Menu(title='')
1045	self.ImageMenu.Append(menu=self.ImageEdit, title='Operations')
1046	self.ImageEdit.Append(help='Calibrate detector by fitting to calibrant lines',
1047	id=wxID_IMCALIBRATE, kind=wx.ITEM_NORMAL,text='Calibrate')
1048	self.ImageEdit.Append(help='Recalibrate detector by fitting to calibrant lines',
1049	id=wxID_IMRECALIBRATE, kind=wx.ITEM_NORMAL,text='Recalibrate')
1050	self.ImageEdit.Append(help='Clear calibration data points and rings',id=wxID_IMCLEARCALIB,
1051	kind=wx.ITEM_NORMAL,text='Clear calibration')
1052	self.ImageEdit.Append(help='Integrate selected image',id=wxID_IMINTEGRATE,
1053	kind=wx.ITEM_NORMAL,text='Integrate')
1054	self.ImageEdit.Append(help='Integrate all images selected from list',id=wxID_INTEGRATEALL,
1055	kind=wx.ITEM_NORMAL,text='Integrate all')
1056	self.ImageEdit.Append(help='Copy image controls to other images',
1057	id=wxID_IMCOPYCONTROLS, kind=wx.ITEM_NORMAL,text='Copy Controls')
1058	self.ImageEdit.Append(help='Save image controls to file',
1059	id=wxID_IMSAVECONTROLS, kind=wx.ITEM_NORMAL,text='Save Controls')
1060	self.ImageEdit.Append(help='Load image controls from file',
1061	id=wxID_IMLOADCONTROLS, kind=wx.ITEM_NORMAL,text='Load Controls')
1062	self.PostfillDataMenu()
1063
1064	# IMG / Masks
1065	self.MaskMenu = wx.MenuBar()
1066	self.PrefillDataMenu(self.MaskMenu,helpType='Image Masks')
1067	self.MaskEdit = wx.Menu(title='')
1068	self.MaskMenu.Append(menu=self.MaskEdit, title='Operations')
1069	self.MaskEdit.Append(help='Copy mask to other images',
1070	id=wxID_MASKCOPY, kind=wx.ITEM_NORMAL,text='Copy mask')
1071	self.MaskEdit.Append(help='Save mask to file',
1072	id=wxID_MASKSAVE, kind=wx.ITEM_NORMAL,text='Save mask')
1073	self.MaskEdit.Append(help='Load mask from file',
1074	id=wxID_MASKLOAD, kind=wx.ITEM_NORMAL,text='Load mask')
1075	self.PostfillDataMenu()
1076
1077	# IMG / Stress/Strain
1078	self.StrStaMenu = wx.MenuBar()
1079	self.PrefillDataMenu(self.StrStaMenu,helpType='Stress/Strain')
1080	self.StrStaEdit = wx.Menu(title='')
1081	self.StrStaMenu.Append(menu=self.StrStaEdit, title='Operations')
1082	self.StrStaEdit.Append(help='Append d-zero for one ring',
1083	id=wxID_APPENDDZERO, kind=wx.ITEM_NORMAL,text='Append d-zero')
1084	self.StrStaEdit.Append(help='Fit stress/strain data',
1085	id=wxID_STRSTAFIT, kind=wx.ITEM_NORMAL,text='Fit stress/strain')
1086	self.StrStaEdit.Append(help='Copy stress/strain data to other images',
1087	id=wxID_STRSTACOPY, kind=wx.ITEM_NORMAL,text='Copy stress/strain')
1088	self.StrStaEdit.Append(help='Save stress/strain data to file',
1089	id=wxID_STRSTASAVE, kind=wx.ITEM_NORMAL,text='Save stress/strain')
1090	self.StrStaEdit.Append(help='Load stress/strain data from file',
1091	id=wxID_STRSTALOAD, kind=wx.ITEM_NORMAL,text='Load stress/strain')
1092	self.PostfillDataMenu()
1093
1094	# PDF / PDF Controls
1095	self.PDFMenu = wx.MenuBar()
1096	self.PrefillDataMenu(self.PDFMenu,helpType='PDF Controls')
1097	self.PDFEdit = wx.Menu(title='')
1098	self.PDFMenu.Append(menu=self.PDFEdit, title='PDF Controls')
1099	self.PDFEdit.Append(help='Add element to sample composition',id=wxID_PDFADDELEMENT, kind=wx.ITEM_NORMAL,
1100	text='Add element')
1101	self.PDFEdit.Append(help='Delete element from sample composition',id=wxID_PDFDELELEMENT, kind=wx.ITEM_NORMAL,
1102	text='Delete element')
1103	self.PDFEdit.Append(help='Copy PDF controls', id=wxID_PDFCOPYCONTROLS, kind=wx.ITEM_NORMAL,
1104	text='Copy controls')
1105	# self.PDFEdit.Append(help='Load PDF controls from file',id=wxID_PDFLOADCONTROLS, kind=wx.ITEM_NORMAL,
1106	# text='Load Controls')
1107	# self.PDFEdit.Append(help='Save PDF controls to file', id=wxID_PDFSAVECONTROLS, kind=wx.ITEM_NORMAL,
1108	# text='Save controls')
1109	self.PDFEdit.Append(help='Compute PDF', id=wxID_PDFCOMPUTE, kind=wx.ITEM_NORMAL,
1110	text='Compute PDF')
1111	self.PDFEdit.Append(help='Compute all PDFs', id=wxID_PDFCOMPUTEALL, kind=wx.ITEM_NORMAL,
1112	text='Compute all PDFs')
1113	self.PostfillDataMenu()
1114
1115	# Phase / General tab
1116	self.DataGeneral = wx.MenuBar()
1117	self.PrefillDataMenu(self.DataGeneral,helpType='General', helpLbl='Phase/General')
1118	self.GeneralCalc = wx.Menu(title='')
1119	self.DataGeneral.Append(menu=self.GeneralCalc,title='Compute')
1120	self.GeneralCalc.Append(help='Compute Fourier map',id=wxID_FOURCALC, kind=wx.ITEM_NORMAL,
1121	text='Fourier map')
1122	self.GeneralCalc.Append(help='Search Fourier map',id=wxID_FOURSEARCH, kind=wx.ITEM_NORMAL,
1123	text='Search map')
1124	self.GeneralCalc.Append(help='Run charge flipping',id=wxID_CHARGEFLIP, kind=wx.ITEM_NORMAL,
1125	text='Charge flipping')
1126	self.GeneralCalc.Append(help='Clear map',id=wxID_FOURCLEAR, kind=wx.ITEM_NORMAL,
1127	text='Clear map')
1128	self.PostfillDataMenu()
1129
1130	# Phase / Data tab
1131	self.DataMenu = wx.MenuBar()
1132	self.PrefillDataMenu(self.DataMenu,helpType='Data', helpLbl='Phase/Data')
1133	self.DataEdit = wx.Menu(title='')
1134	self.DataMenu.Append(menu=self.DataEdit, title='Edit')
1135	self.DataEdit.Append(id=wxID_PWDRADD, kind=wx.ITEM_NORMAL,text='Add powder histograms',
1136	help='Select new powder histograms to be used for this phase')
1137	self.DataEdit.Append(id=wxID_HKLFADD, kind=wx.ITEM_NORMAL,text='Add single crystal histograms',
1138	help='Select new single crystal histograms to be used for this phase')
1139	self.DataEdit.Append(id=wxID_DATADELETE, kind=wx.ITEM_NORMAL,text='Delete histograms',
1140	help='Delete histograms from use for this phase')
1141	self.PostfillDataMenu()
1142
1143	# Phase / Atoms tab
1144	self.AtomsMenu = wx.MenuBar()
1145	self.PrefillDataMenu(self.AtomsMenu,helpType='Atoms')
1146	self.AtomEdit = wx.Menu(title='')
1147	self.AtomCompute = wx.Menu(title='')
1148	self.AtomsMenu.Append(menu=self.AtomEdit, title='Edit')
1149	self.AtomsMenu.Append(menu=self.AtomCompute, title='Compute')
1150	self.AtomEdit.Append(id=wxID_ATOMSEDITADD, kind=wx.ITEM_NORMAL,text='Append atom',
1151	help='Appended as an H atom')
1152	self.AtomEdit.Append(id=wxID_ATOMSVIEWADD, kind=wx.ITEM_NORMAL,text='Append view point',
1153	help='Appended as an H atom')
1154	self.AtomEdit.Append(id=wxID_RBAPPEND, kind=wx.ITEM_NORMAL,text='Append rigid body',
1155	help='Append atoms for rigid body')
1156	self.AtomEdit.Append(id=wxID_ATOMSEDITINSERT, kind=wx.ITEM_NORMAL,text='Insert atom',
1157	help='Select atom row to insert before; inserted as an H atom')
1158	self.AtomEdit.Append(id=wxID_ATOMVIEWINSERT, kind=wx.ITEM_NORMAL,text='Insert view point',
1159	help='Select atom row to insert before; inserted as an H atom')
1160	self.AtomEdit.Append(id=wxID_ATOMMOVE, kind=wx.ITEM_NORMAL,text='Move atom to view point',
1161	help='Select single atom to move')
1162	self.AtomEdit.Append(id=wxID_ATOMSEDITDELETE, kind=wx.ITEM_NORMAL,text='Delete atom',
1163	help='Select atoms to delete first')
1164	self.AtomEdit.Append(id=wxID_ATOMSREFINE, kind=wx.ITEM_NORMAL,text='Set atom refinement flags',
1165	help='Select atoms to refine first')
1166	self.AtomEdit.Append(id=wxID_ATOMSMODIFY, kind=wx.ITEM_NORMAL,text='Modify atom parameters',
1167	help='Select atoms to modify first')
1168	self.AtomEdit.Append(id=wxID_ATOMSTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
1169	help='Select atoms to transform first')
1170	self.AtomEdit.Append(id=wxID_RELOADDRAWATOMS, kind=wx.ITEM_NORMAL,text='Reload draw atoms',
1171	help='Reload atom drawing list')
1172	submenu = wx.Menu()
1173	self.AtomEdit.AppendMenu(wx.ID_ANY, 'Reimport atoms', submenu,
1174	help='Reimport atoms from file; sequence must match')
1175	# setup a cascade menu for the formats that have been defined
1176	self.ReImportMenuId = {} # points to readers for each menu entry
1177	for reader in self.G2frame.ImportPhaseReaderlist:
1178	item = submenu.Append(
1179	wx.ID_ANY,help=reader.longFormatName,
1180	kind=wx.ITEM_NORMAL,text='reimport coordinates from '+reader.formatName+' file')
1181	self.ReImportMenuId[item.GetId()] = reader
1182	item = submenu.Append(
1183	wx.ID_ANY,
1184	help='Reimport coordinates, try to determine format from file',
1185	kind=wx.ITEM_NORMAL,
1186	text='guess format from file')
1187	self.ReImportMenuId[item.GetId()] = None # try all readers
1188
1189	self.AtomCompute.Append(id=wxID_ATOMSDISAGL, kind=wx.ITEM_NORMAL,text='Distances && Angles',
1190	help='Compute distances & angles for selected atoms')
1191	self.PostfillDataMenu()
1192
1193	# Phase / Draw Options tab
1194	self.DataDrawOptions = wx.MenuBar()
1195	self.PrefillDataMenu(self.DataDrawOptions,helpType='Draw Options', helpLbl='Phase/Draw Options',empty=True)
1196	self.PostfillDataMenu(empty=True)
1197
1198	# Phase / Draw Atoms tab
1199	self.DrawAtomsMenu = wx.MenuBar()
1200	self.PrefillDataMenu(self.DrawAtomsMenu,helpType='Draw Atoms')
1201	self.DrawAtomEdit = wx.Menu(title='')
1202	self.DrawAtomCompute = wx.Menu(title='')
1203	self.DrawAtomRestraint = wx.Menu(title='')
1204	self.DrawAtomRigidBody = wx.Menu(title='')
1205	self.DrawAtomsMenu.Append(menu=self.DrawAtomEdit, title='Edit')
1206	self.DrawAtomsMenu.Append(menu=self.DrawAtomCompute,title='Compute')
1207	self.DrawAtomsMenu.Append(menu=self.DrawAtomRestraint, title='Restraints')
1208	self.DrawAtomsMenu.Append(menu=self.DrawAtomRigidBody, title='Rigid body')
1209	self.DrawAtomEdit.Append(id=wxID_DRAWATOMSTYLE, kind=wx.ITEM_NORMAL,text='Atom style',
1210	help='Select atoms first')
1211	self.DrawAtomEdit.Append(id=wxID_DRAWATOMLABEL, kind=wx.ITEM_NORMAL,text='Atom label',
1212	help='Select atoms first')
1213	self.DrawAtomEdit.Append(id=wxID_DRAWATOMCOLOR, kind=wx.ITEM_NORMAL,text='Atom color',
1214	help='Select atoms first')
1215	self.DrawAtomEdit.Append(id=wxID_DRAWATOMRESETCOLOR, kind=wx.ITEM_NORMAL,text='Reset atom colors',
1216	help='Resets all atom colors to defaults')
1217	self.DrawAtomEdit.Append(id=wxID_DRAWVIEWPOINT, kind=wx.ITEM_NORMAL,text='View point',
1218	help='View point is 1st atom selected')
1219	self.DrawAtomEdit.Append(id=wxID_DRAWADDEQUIV, kind=wx.ITEM_NORMAL,text='Add atoms',
1220	help='Add symmetry & cell equivalents to drawing set from selected atoms')
1221	self.DrawAtomEdit.Append(id=wxID_DRAWTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
1222	help='Transform selected atoms by symmetry & cell translations')
1223	self.DrawAtomEdit.Append(id=wxID_DRAWFILLCOORD, kind=wx.ITEM_NORMAL,text='Fill CN-sphere',
1224	help='Fill coordination sphere for selected atoms')
1225	self.DrawAtomEdit.Append(id=wxID_DRAWFILLCELL, kind=wx.ITEM_NORMAL,text='Fill unit cell',
1226	help='Fill unit cell with selected atoms')
1227	self.DrawAtomEdit.Append(id=wxID_DRAWDELETE, kind=wx.ITEM_NORMAL,text='Delete atoms',
1228	help='Delete atoms from drawing set')
1229	self.DrawAtomCompute.Append(id=wxID_DRAWDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.',
1230	help='Compute distance of selected atoms from view point')
1231	self.DrawAtomCompute.Append(id=wxID_DRAWDISAGLTOR, kind=wx.ITEM_NORMAL,text='Dist. Ang. Tors.',
1232	help='Compute distance, angle or torsion for 2-4 selected atoms')
1233	self.DrawAtomCompute.Append(id=wxID_DRAWPLANE, kind=wx.ITEM_NORMAL,text='Best plane',
1234	help='Compute best plane for 4+ selected atoms')
1235	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRBOND, kind=wx.ITEM_NORMAL,text='Add bond restraint',
1236	help='Add bond restraint for selected atoms (2)')
1237	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRANGLE, kind=wx.ITEM_NORMAL,text='Add angle restraint',
1238	help='Add angle restraint for selected atoms (3: one end 1st)')
1239	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRPLANE, kind=wx.ITEM_NORMAL,text='Add plane restraint',
1240	help='Add plane restraint for selected atoms (4+)')
1241	self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRCHIRAL, kind=wx.ITEM_NORMAL,text='Add chiral restraint',
1242	help='Add chiral restraint for selected atoms (4: center atom 1st)')
1243	self.DrawAtomRigidBody.Append(id=wxID_DRAWDEFINERB, kind=wx.ITEM_NORMAL,text='Define rigid body',
1244	help='Define rigid body with selected atoms')
1245	self.PostfillDataMenu()
1246
1247	# Phase / Texture tab
1248	self.TextureMenu = wx.MenuBar()
1249	self.PrefillDataMenu(self.TextureMenu,helpType='Texture')
1250	self.TextureEdit = wx.Menu(title='')
1251	self.TextureMenu.Append(menu=self.TextureEdit, title='Texture')
1252	self.TextureEdit.Append(id=wxID_REFINETEXTURE, kind=wx.ITEM_NORMAL,text='Refine texture',
1253	help='Refine the texture coefficients from sequential Pawley results')
1254	self.TextureEdit.Append(id=wxID_CLEARTEXTURE, kind=wx.ITEM_NORMAL,text='Clear texture',
1255	help='Clear the texture coefficients' )
1256	self.PostfillDataMenu()
1257
1258	# Phase / Pawley tab
1259	self.PawleyMenu = wx.MenuBar()
1260	self.PrefillDataMenu(self.PawleyMenu,helpType='Pawley')
1261	self.PawleyEdit = wx.Menu(title='')
1262	self.PawleyMenu.Append(menu=self.PawleyEdit,title='Operations')
1263	self.PawleyEdit.Append(id=wxID_PAWLEYLOAD, kind=wx.ITEM_NORMAL,text='Pawley create',
1264	help='Initialize Pawley reflection list')
1265	self.PawleyEdit.Append(id=wxID_PAWLEYESTIMATE, kind=wx.ITEM_NORMAL,text='Pawley estimate',
1266	help='Estimate initial Pawley intensities')
1267	self.PawleyEdit.Append(id=wxID_PAWLEYUPDATE, kind=wx.ITEM_NORMAL,text='Pawley update',
1268	help='Update Pawley intensities with abs(Fobs) from reflection list')
1269	# self.PawleyEdit.Append(id=wxID_PAWLEYDELETE, kind=wx.ITEM_NORMAL,text='Pawley delete',
1270	# help='Delete selected Pawley reflection')
1271	self.PostfillDataMenu()
1272
1273	# Phase / Map peaks tab
1274	self.MapPeaksMenu = wx.MenuBar()
1275	self.PrefillDataMenu(self.MapPeaksMenu,helpType='Map peaks')
1276	self.MapPeaksEdit = wx.Menu(title='')
1277	self.MapPeaksMenu.Append(menu=self.MapPeaksEdit, title='Map peaks')
1278	self.MapPeaksEdit.Append(id=wxID_PEAKSMOVE, kind=wx.ITEM_NORMAL,text='Move peaks',
1279	help='Move selected peaks to atom list')
1280	self.MapPeaksEdit.Append(id=wxID_PEAKSVIEWPT, kind=wx.ITEM_NORMAL,text='View point',
1281	help='View point is 1st peak selected')
1282	self.MapPeaksEdit.Append(id=wxID_PEAKSDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.',
1283	help='Compute distance of selected peaks from view point')
1284	self.MapPeaksEdit.Append(id=wxID_SHOWBONDS, kind=wx.ITEM_NORMAL,text='Hide bonds',
1285	help='Hide or show bonds between peak positions')
1286	self.MapPeaksEdit.Append(id=wxID_PEAKSDA, kind=wx.ITEM_NORMAL,text='Calc dist/ang',
1287	help='Calculate distance or angle for selection')
1288	self.MapPeaksEdit.Append(id=wxID_FINDEQVPEAKS, kind=wx.ITEM_NORMAL,text='Equivalent peaks',
1289	help='Find equivalent peaks')
1290	self.MapPeaksEdit.Append(id=wxID_PEAKSUNIQUE, kind=wx.ITEM_NORMAL,text='Unique peaks',
1291	help='Select unique set')
1292	self.MapPeaksEdit.Append(id=wxID_PEAKSDELETE, kind=wx.ITEM_NORMAL,text='Delete peaks',
1293	help='Delete selected peaks')
1294	self.MapPeaksEdit.Append(id=wxID_PEAKSCLEAR, kind=wx.ITEM_NORMAL,text='Clear peaks',
1295	help='Clear the map peak list')
1296	self.PostfillDataMenu()
1297
1298	# Phase / Rigid bodies tab
1299	self.RigidBodiesMenu = wx.MenuBar()
1300	self.PrefillDataMenu(self.RigidBodiesMenu,helpType='Rigid bodies')
1301	self.RigidBodiesEdit = wx.Menu(title='')
1302	self.RigidBodiesMenu.Append(menu=self.RigidBodiesEdit, title='Edit')
1303	self.RigidBodiesEdit.Append(id=wxID_ASSIGNATMS2RB, kind=wx.ITEM_NORMAL,text='Assign atoms to rigid body',
1304	help='Select & position rigid body in structure of existing atoms')
1305	self.RigidBodiesEdit.Append(id=wxID_AUTOFINDRESRB, kind=wx.ITEM_NORMAL,text='Auto find residues',
1306	help='Auto find of residue RBs in macromolecule')
1307	self.RigidBodiesEdit.Append(id=wxID_COPYRBPARMS, kind=wx.ITEM_NORMAL,text='Copy rigid body parms',
1308	help='Copy rigid body location & TLS parameters')
1309	self.RigidBodiesEdit.Append(id=wxID_GLOBALRESREFINE, kind=wx.ITEM_NORMAL,text='Global residue refine',
1310	help='Global setting of residue RB refinement flags')
1311	self.RigidBodiesEdit.Append(id=wxID_RBREMOVEALL, kind=wx.ITEM_NORMAL,text='Remove all rigid bodies',
1312	help='Remove all rigid body assignment for atoms')
1313	self.PostfillDataMenu()
1314	# end of GSAS-II menu definitions
1315
1316	def _init_ctrls(self, parent,name=None,size=None,pos=None):
1317	wx.Frame.__init__(self,parent=parent,
1318	style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX \| wx.FRAME_FLOAT_ON_PARENT ,
1319	size=size,pos=pos,title='GSAS-II data display')
1320	self._init_menus()
1321	if name:
1322	self.SetLabel(name)
1323	self.Show()
1324
1325	def __init__(self,parent,frame,data=None,name=None, size=None,pos=None):
1326	self.G2frame = frame
1327	self._init_ctrls(parent,name,size,pos)
1328	self.data = data
1329	clientSize = wx.ClientDisplayRect()
1330	Size = self.GetSize()
1331	xPos = clientSize[2]-Size[0]
1332	self.SetPosition(wx.Point(xPos,clientSize[1]+250))
1333	self.AtomGrid = []
1334	self.selectedRow = 0
1335
1336	def setSizePosLeft(self,Width):
1337	clientSize = wx.ClientDisplayRect()
1338	Width[1] = min(Width[1],clientSize[2]-300)
1339	Width[0] = max(Width[0],300)
1340	self.SetSize(Width)
1341	# self.SetPosition(wx.Point(clientSize[2]-Width[0],clientSize[1]+250))
1342
1343	def Clear(self):
1344	self.ClearBackground()
1345	self.DestroyChildren()
1346
1347	################################################################################
1348	##### GSNotebook
1349	################################################################################
1350
1351	class GSNoteBook(wx.aui.AuiNotebook):
1352	'''Notebook used in various locations; implemented with wx.aui extension
1353	'''
1354	def __init__(self, parent, name='',size = None):
1355	wx.aui.AuiNotebook.__init__(self, parent, -1,
1356	style=wx.aui.AUI_NB_TOP \|
1357	wx.aui.AUI_NB_SCROLL_BUTTONS)
1358	if size: self.SetSize(size)
1359
1360	def Clear(self):
1361	GSNoteBook.DeleteAllPages(self)
1362
1363	def FindPage(self,name):
1364	numPage = self.GetPageCount()
1365	for page in range(numPage):
1366	if self.GetPageText(page) == name:
1367	return page
1368
1369	def ChangeSelection(self,page):
1370	# in the wx.Notebook ChangeSelection is like SetSelection, but it
1371	# does not invoke the event related to pressing the tab button
1372	# I don't see a way to do that in aui.
1373	oldPage = self.GetSelection()
1374	self.SetSelection(page)
1375	return oldPage
1376
1377	# def __getattribute__(self,name):
1378	# '''This method provides a way to print out a message every time
1379	# that a method in a class is called -- to see what all the calls
1380	# might be, or where they might be coming from.
1381	# Cute trick for debugging!
1382	# '''
1383	# attr = object.__getattribute__(self, name)
1384	# if hasattr(attr, '__call__'):
1385	# def newfunc(args, *kwargs):
1386	# print('GSauiNoteBook calling %s' %attr.__name__)
1387	# result = attr(args, *kwargs)
1388	# return result
1389	# return newfunc
1390	# else:
1391	# return attr
1392
1393	################################################################################
1394	##### GSGrid
1395	################################################################################
1396
1397	class GSGrid(wg.Grid):
1398	'''Basic wx.Grid implementation
1399	'''
1400	def __init__(self, parent, name=''):
1401	wg.Grid.__init__(self,parent,-1,name=name)
1402	#self.SetSize(parent.GetClientSize())
1403	# above removed to speed drawing of initial grid
1404	# does not appear to be needed
1405
1406	def Clear(self):
1407	wg.Grid.ClearGrid(self)
1408
1409	def SetCellStyle(self,r,c,color="white",readonly=True):
1410	self.SetCellBackgroundColour(r,c,color)
1411	self.SetReadOnly(r,c,isReadOnly=readonly)
1412
1413	def GetSelection(self):
1414	#this is to satisfy structure drawing stuff in G2plt when focus changes
1415	return None
1416
1417	################################################################################
1418	##### Table
1419	################################################################################
1420
1421	class Table(wg.PyGridTableBase):
1422	'''Basic data table for use with GSgrid
1423	'''
1424	def __init__(self, data=[], rowLabels=None, colLabels=None, types = None):
1425	wg.PyGridTableBase.__init__(self)
1426	self.colLabels = colLabels
1427	self.rowLabels = rowLabels
1428	self.dataTypes = types
1429	self.data = data
1430
1431	def AppendRows(self, numRows=1):
1432	self.data.append([])
1433	return True
1434
1435	def CanGetValueAs(self, row, col, typeName):
1436	if self.dataTypes:
1437	colType = self.dataTypes[col].split(':')[0]
1438	if typeName == colType:
1439	return True
1440	else:
1441	return False
1442	else:
1443	return False
1444
1445	def CanSetValueAs(self, row, col, typeName):
1446	return self.CanGetValueAs(row, col, typeName)
1447
1448	def DeleteRow(self,pos):
1449	data = self.GetData()
1450	self.SetData([])
1451	new = []
1452	for irow,row in enumerate(data):
1453	if irow <> pos:
1454	new.append(row)
1455	self.SetData(new)
1456
1457	def GetColLabelValue(self, col):
1458	if self.colLabels:
1459	return self.colLabels[col]
1460
1461	def GetData(self):
1462	data = []
1463	for row in range(self.GetNumberRows()):
1464	data.append(self.GetRowValues(row))
1465	return data
1466
1467	def GetNumberCols(self):
1468	try:
1469	return len(self.colLabels)
1470	except TypeError:
1471	return None
1472
1473	def GetNumberRows(self):
1474	return len(self.data)
1475
1476	def GetRowLabelValue(self, row):
1477	if self.rowLabels:
1478	return self.rowLabels[row]
1479
1480	def GetColValues(self, col):
1481	data = []
1482	for row in range(self.GetNumberRows()):
1483	data.append(self.GetValue(row, col))
1484	return data
1485
1486	def GetRowValues(self, row):
1487	data = []
1488	for col in range(self.GetNumberCols()):
1489	data.append(self.GetValue(row, col))
1490	return data
1491
1492	def GetTypeName(self, row, col):
1493	try:
1494	return self.dataTypes[col]
1495	except TypeError:
1496	return None
1497
1498	def GetValue(self, row, col):
1499	try:
1500	return self.data[row][col]
1501	except IndexError:
1502	return None
1503
1504	def InsertRows(self, pos, rows):
1505	for row in range(rows):
1506	self.data.insert(pos,[])
1507	pos += 1
1508
1509	def IsEmptyCell(self,row,col):
1510	try:
1511	return not self.data[row][col]
1512	except IndexError:
1513	return True
1514
1515	def OnKeyPress(self, event):
1516	dellist = self.GetSelectedRows()
1517	if event.GetKeyCode() == wx.WXK_DELETE and dellist:
1518	grid = self.GetView()
1519	for i in dellist: grid.DeleteRow(i)
1520
1521	def SetColLabelValue(self, col, label):
1522	numcols = self.GetNumberCols()
1523	if col > numcols-1:
1524	self.colLabels.append(label)
1525	else:
1526	self.colLabels[col]=label
1527
1528	def SetData(self,data):
1529	for row in range(len(data)):
1530	self.SetRowValues(row,data[row])
1531
1532	def SetRowLabelValue(self, row, label):
1533	self.rowLabels[row]=label
1534
1535	def SetRowValues(self,row,data):
1536	self.data[row] = data
1537
1538	def SetValue(self, row, col, value):
1539	def innerSetValue(row, col, value):
1540	try:
1541	self.data[row][col] = value
1542	except TypeError:
1543	return
1544	except IndexError:
1545	print row,col,value
1546	# add a new row
1547	if row > self.GetNumberRows():
1548	self.data.append([''] * self.GetNumberCols())
1549	elif col > self.GetNumberCols():
1550	for row in range(self.GetNumberRows):
1551	self.data[row].append('')
1552	print self.data
1553	self.data[row][col] = value
1554	innerSetValue(row, col, value)
1555
1556	################################################################################
1557	#### Help
1558	################################################################################
1559
1560	def ShowHelp(helpType,frame):
1561	'''Called to bring up a web page for documentation.'''
1562	global htmlFirstUse
1563	# look up a definition for help info from dict
1564	helplink = helpLocDict.get(helpType)
1565	if helplink is None:
1566	# no defined link to use, create a default based on key
1567	helplink = 'gsasII.html#'+helpType.replace(' ','_')
1568	helplink = os.path.join(path2GSAS2,'help',helplink)
1569	if helpMode == 'internal':
1570	try:
1571	htmlPanel.LoadFile(helplink)
1572	htmlFrame.Raise()
1573	except:
1574	htmlFrame = wx.Frame(frame, -1, size=(610, 510))
1575	htmlFrame.Show(True)
1576	htmlFrame.SetTitle("HTML Window") # N.B. reset later in LoadFile
1577	htmlPanel = MyHtmlPanel(htmlFrame,-1)
1578	htmlPanel.LoadFile(helplink)
1579	else:
1580	pfx = "file://"
1581	if sys.platform.lower().startswith('win'):
1582	pfx = ''
1583	if htmlFirstUse:
1584	webbrowser.open_new(pfx+helplink)
1585	htmlFirstUse = False
1586	else:
1587	webbrowser.open(pfx+helplink, new=0, autoraise=True)
1588
1589	################################################################################
1590	##### Notebook
1591	################################################################################
1592
1593	def UpdateNotebook(G2frame,data):
1594	'''Called when the data tree notebook entry is selected. Allows for
1595	editing of the text in that tree entry
1596	'''
1597	def OnNoteBook(event):
1598	data = G2frame.dataDisplay.GetValue()
1599	G2frame.PatternTree.SetItemPyData(GetPatternTreeItemId(G2frame,G2frame.root,'Notebook'),data)
1600
1601	if G2frame.dataDisplay:
1602	G2frame.dataDisplay.Destroy()
1603	G2frame.dataFrame.SetLabel('Notebook')
1604	G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
1605	style=wx.TE_MULTILINE\|wx.TE_PROCESS_ENTER \| wx.TE_DONTWRAP)
1606	G2frame.dataDisplay.Bind(wx.EVT_TEXT_ENTER,OnNoteBook)
1607	G2frame.dataDisplay.Bind(wx.EVT_KILL_FOCUS,OnNoteBook)
1608	for line in data:
1609	G2frame.dataDisplay.AppendText(line+"\n")
1610	G2frame.dataDisplay.AppendText('Notebook entry @ '+time.ctime()+"\n")
1611	G2frame.dataFrame.setSizePosLeft([400,250])
1612
1613	################################################################################
1614	##### Controls
1615	################################################################################
1616
1617	def UpdateControls(G2frame,data):
1618	'''Edit overall GSAS-II controls in main Controls data tree entry
1619	'''
1620	#patch
1621	if 'deriv type' not in data:
1622	data = {}
1623	data['deriv type'] = 'analytic Hessian'
1624	data['min dM/M'] = 0.0001
1625	data['shift factor'] = 1.
1626	data['max cyc'] = 3
1627	data['F**2'] = True
1628	data['minF/sig'] = 0
1629	if 'shift factor' not in data:
1630	data['shift factor'] = 1.
1631	if 'max cyc' not in data:
1632	data['max cyc'] = 3
1633	if 'F**2' not in data:
1634	data['F**2'] = True
1635	data['minF/sig'] = 0
1636	#end patch
1637
1638	def SeqSizer():
1639
1640	def OnSelectData(event):
1641	choices = ['All',]+GetPatternTreeDataNames(G2frame,['PWDR',])
1642	sel = []
1643	if 'Seq Data' in data:
1644	for item in data['Seq Data']:
1645	sel.append(choices.index(item))
1646	names = []
1647	dlg = wx.MultiChoiceDialog(G2frame,'Select data:','Sequential refinement',choices)
1648	dlg.SetSelections(sel)
1649	if dlg.ShowModal() == wx.ID_OK:
1650	sel = dlg.GetSelections()
1651	for i in sel: names.append(choices[i])
1652	if 'All' in names:
1653	names = choices[1:]
1654	data['Seq Data'] = names
1655	dlg.Destroy()
1656	reverseSel.Enable(True)
1657
1658	def OnReverse(event):
1659	data['Reverse Seq'] = reverseSel.GetValue()
1660
1661	seqSizer = wx.BoxSizer(wx.HORIZONTAL)
1662	seqSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Sequential Refinement Powder Data: '),0,wx.ALIGN_CENTER_VERTICAL)
1663	selSeqData = wx.Button(G2frame.dataDisplay,-1,label=' Select data')
1664	selSeqData.Bind(wx.EVT_BUTTON,OnSelectData)
1665	seqSizer.Add(selSeqData,0,wx.ALIGN_CENTER_VERTICAL)
1666	seqSizer.Add((5,0),0)
1667	reverseSel = wx.CheckBox(G2frame.dataDisplay,-1,label=' Reverse order?')
1668	reverseSel.Bind(wx.EVT_CHECKBOX,OnReverse)
1669	if 'Seq Data' not in data:
1670	reverseSel.Enable(False)
1671	if 'Reverse Seq' in data:
1672	reverseSel.SetValue(data['Reverse Seq'])
1673	seqSizer.Add(reverseSel,0,wx.ALIGN_CENTER_VERTICAL)
1674	return seqSizer
1675
1676	def LSSizer():
1677
1678	def OnDerivType(event):
1679	data['deriv type'] = derivSel.GetValue()
1680	derivSel.SetValue(data['deriv type'])
1681	wx.CallAfter(UpdateControls,G2frame,data)
1682
1683	def OnConvergence(event):
1684	try:
1685	value = max(1.e-9,min(1.0,float(Cnvrg.GetValue())))
1686	except ValueError:
1687	value = 0.0001
1688	data['min dM/M'] = value
1689	Cnvrg.SetValue('%.2g'%(value))
1690
1691	def OnMaxCycles(event):
1692	data['max cyc'] = int(maxCyc.GetValue())
1693	maxCyc.SetValue(str(data['max cyc']))
1694
1695	def OnFactor(event):
1696	try:
1697	value = min(max(float(Factr.GetValue()),0.00001),100.)
1698	except ValueError:
1699	value = 1.0
1700	data['shift factor'] = value
1701	Factr.SetValue('%.5f'%(value))
1702
1703	def OnFsqRef(event):
1704	data['F**2'] = fsqRef.GetValue()
1705
1706	def OnMinSig(event):
1707	try:
1708	value = min(max(float(minSig.GetValue()),0.),5.)
1709	except ValueError:
1710	value = 1.0
1711	data['minF/sig'] = value
1712	minSig.SetValue('%.2f'%(value))
1713
1714	LSSizer = wx.FlexGridSizer(cols=4,vgap=5,hgap=5)
1715	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement derivatives: '),0,wx.ALIGN_CENTER_VERTICAL)
1716	Choice=['analytic Jacobian','numeric','analytic Hessian']
1717	derivSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['deriv type'],choices=Choice,
1718	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1719	derivSel.SetValue(data['deriv type'])
1720	derivSel.Bind(wx.EVT_COMBOBOX, OnDerivType)
1721
1722	LSSizer.Add(derivSel,0,wx.ALIGN_CENTER_VERTICAL)
1723	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Min delta-M/M: '),0,wx.ALIGN_CENTER_VERTICAL)
1724	Cnvrg = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2g'%(data['min dM/M']),style=wx.TE_PROCESS_ENTER)
1725	Cnvrg.Bind(wx.EVT_TEXT_ENTER,OnConvergence)
1726	Cnvrg.Bind(wx.EVT_KILL_FOCUS,OnConvergence)
1727	LSSizer.Add(Cnvrg,0,wx.ALIGN_CENTER_VERTICAL)
1728	if 'Hessian' in data['deriv type']:
1729	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Max cycles: '),0,wx.ALIGN_CENTER_VERTICAL)
1730	Choice = ['0','1','2','3','5','10','15','20']
1731	maxCyc = wx.ComboBox(parent=G2frame.dataDisplay,value=str(data['max cyc']),choices=Choice,
1732	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1733	maxCyc.SetValue(str(data['max cyc']))
1734	maxCyc.Bind(wx.EVT_COMBOBOX, OnMaxCycles)
1735	LSSizer.Add(maxCyc,0,wx.ALIGN_CENTER_VERTICAL)
1736	else:
1737	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Initial shift factor: '),0,wx.ALIGN_CENTER_VERTICAL)
1738	Factr = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.5f'%(data['shift factor']),style=wx.TE_PROCESS_ENTER)
1739	Factr.Bind(wx.EVT_TEXT_ENTER,OnFactor)
1740	Factr.Bind(wx.EVT_KILL_FOCUS,OnFactor)
1741	LSSizer.Add(Factr,0,wx.ALIGN_CENTER_VERTICAL)
1742	if G2frame.Sngl:
1743	LSSizer.Add((1,0),)
1744	LSSizer.Add((1,0),)
1745	fsqRef = wx.CheckBox(G2frame.dataDisplay,-1,label='Refine HKLF as F^2? ')
1746	fsqRef.SetValue(data['F**2'])
1747	fsqRef.Bind(wx.EVT_CHECKBOX,OnFsqRef)
1748	LSSizer.Add(fsqRef,0,wx.ALIGN_CENTER_VERTICAL)
1749	LSSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,label='Min obs/sig (0-5): '),0,wx.ALIGN_CENTER_VERTICAL)
1750	minSig = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2f'%(data['minF/sig']),style=wx.TE_PROCESS_ENTER)
1751	minSig.Bind(wx.EVT_TEXT_ENTER,OnMinSig)
1752	minSig.Bind(wx.EVT_KILL_FOCUS,OnMinSig)
1753	LSSizer.Add(minSig,0,wx.ALIGN_CENTER_VERTICAL)
1754	return LSSizer
1755
1756	if G2frame.dataDisplay:
1757	G2frame.dataDisplay.Destroy()
1758	if not G2frame.dataFrame.GetStatusBar():
1759	Status = G2frame.dataFrame.CreateStatusBar()
1760	Status.SetStatusText('')
1761	G2frame.dataFrame.SetLabel('Controls')
1762	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1763	SetDataMenuBar(G2frame,G2frame.dataFrame.ControlsMenu)
1764	mainSizer = wx.BoxSizer(wx.VERTICAL)
1765	mainSizer.Add((5,5),0)
1766	mainSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement Controls:'),0,wx.ALIGN_CENTER_VERTICAL)
1767	mainSizer.Add(LSSizer())
1768	mainSizer.Add((5,5),0)
1769	mainSizer.Add(SeqSizer())
1770	mainSizer.Add((5,5),0)
1771
1772	mainSizer.Layout()
1773	G2frame.dataDisplay.SetSizer(mainSizer)
1774	G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame))
1775	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
1776
1777	################################################################################
1778	##### Comments
1779	################################################################################
1780
1781	def UpdateComments(G2frame,data):
1782
1783	if G2frame.dataDisplay:
1784	G2frame.dataDisplay.Destroy()
1785	G2frame.dataFrame.SetLabel('Comments')
1786	G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
1787	style=wx.TE_MULTILINE\|wx.TE_READONLY\|wx.TE_DONTWRAP)
1788	for line in data:
1789	G2frame.dataDisplay.AppendText(line+'\n')
1790	G2frame.dataFrame.setSizePosLeft([400,250])
1791
1792	################################################################################
1793	##### Sequential Results
1794	################################################################################
1795
1796	def UpdateSeqResults(G2frame,data):
1797	"""
1798	Called when the Sequential Results data tree entry is selected
1799	to show results from a sequential refinement.
1800
1801	:param wx.Frame G2frame: main GSAS-II data tree windows
1802
1803	:param dict data: a dictionary containing the following items:
1804
1805	* 'histNames' - list of histogram names in order as processed by Sequential Refinement
1806	* 'varyList' - list of variables - identical over all refinements in sequence
1807	* 'histName' - dictionaries for all data sets processed, which contains:
1808
1809	* 'variables'- result[0] from leastsq call
1810	* 'varyList' - list of variables; same as above
1811	* 'sig' - esds for variables
1812	* 'covMatrix' - covariance matrix from individual refinement
1813	* 'title' - histogram name; same as dict item name
1814	* 'newAtomDict' - new atom parameters after shifts applied
1815	* 'newCellDict' - new cell parameters after shifts to A0-A5 applied'
1816	"""
1817	if not data:
1818	print 'No sequential refinement results'
1819	return
1820	histNames = data['histNames']
1821
1822	def GetSampleParms():
1823	sampleParmDict = {'Temperature':[],'Pressure':[],'Humidity':[],'Voltage':[],'Force':[],}
1824	sampleParm = {}
1825	for name in histNames:
1826	Id = GetPatternTreeItemId(G2frame,G2frame.root,name)
1827	sampleData = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,Id,'Sample Parameters'))
1828	for item in sampleParmDict:
1829	sampleParmDict[item].append(sampleData[item])
1830	for item in sampleParmDict:
1831	frstValue = sampleParmDict[item][0]
1832	if np.any(np.array(sampleParmDict[item])-frstValue):
1833	sampleParm[item] = sampleParmDict[item]
1834	return sampleParm
1835
1836	def GetRwps():
1837	Rwps = []
1838	for name in histNames:
1839	Rwps.append(data[name]['Rvals']['Rwp'])
1840	return Rwps
1841
1842	def GetSigData(parm):
1843	sigData = []
1844	for name in histNames:
1845	sigList = data[name]['sig']
1846	if colLabels[parm] in atomList:
1847	sigData.append(sigList[colLabels.index(atomList[colLabels[parm]])-1])
1848	elif colLabels[parm] in cellList:
1849	sigData.append(sigList[colLabels.index(cellList[colLabels[parm]])-1])
1850	else:
1851	sigData.append(sigList[parm-1])
1852	return sigData
1853
1854	def Select(event):
1855	cols = G2frame.dataDisplay.GetSelectedCols()
1856	rows = G2frame.dataDisplay.GetSelectedRows()
1857	if cols:
1858	plotData = []
1859	plotSig = []
1860	plotNames = []
1861	for col in cols:
1862	plotData.append(G2frame.SeqTable.GetColValues(col))
1863	if col: #not Rwp
1864	plotSig.append(GetSigData(col))
1865	else:
1866	plotSig.append(0.0)
1867	plotNames.append(G2frame.SeqTable.GetColLabelValue(col))
1868	plotData = np.array(plotData)
1869	G2plt.PlotSeq(G2frame,plotData,plotSig,plotNames,sampleParms)
1870	elif rows:
1871	name = histNames[rows[0]] #only does 1st one selected
1872	G2plt.PlotCovariance(G2frame,data[name])
1873
1874	def OnSaveSelSeq(event):
1875	cols = G2frame.dataDisplay.GetSelectedCols()
1876	if cols:
1877	numRows = G2frame.SeqTable.GetNumberRows()
1878	dataNames = []
1879	saveNames = [G2frame.SeqTable.GetRowLabelValue(r) for r in range(numRows)]
1880	saveData = []
1881	for col in cols:
1882	dataNames.append(G2frame.SeqTable.GetColLabelValue(col))
1883	if col: #not Rwp
1884	saveData.append(zip(G2frame.SeqTable.GetColValues(col),GetSigData(col)))
1885	else:
1886	saveData.append(zip(G2frame.SeqTable.GetColValues(col),0.0))
1887	lenName = len(saveNames[0])
1888	saveData = np.swapaxes(np.array(saveData),0,1)
1889	dlg = wx.FileDialog(G2frame, 'Choose text output file for your selection', '.', '',
1890	'Text output file (.txt)\|.txt',wx.FD_SAVE\|wx.FD_OVERWRITE_PROMPT\|wx.CHANGE_DIR)
1891	try:
1892	if dlg.ShowModal() == wx.ID_OK:
1893	SeqTextFile = dlg.GetPath()
1894	SeqTextFile = G2IO.FileDlgFixExt(dlg,SeqTextFile)
1895	SeqFile = open(SeqTextFile,'w')
1896	line = ' %s '%('name'.center(lenName))
1897	for item in dataNames:
1898	line += ' %12s %12s '%(item.center(12),'esd'.center(12))
1899	line += '\n'
1900	SeqFile.write(line)
1901	for i,item in enumerate(saveData):
1902	line = " '%s' "%(saveNames[i])
1903	for val,esd in item:
1904	line += ' %12.6f %12.6f '%(val,esd)
1905	line += '\n'
1906	SeqFile.write(line)
1907	SeqFile.close()
1908	finally:
1909	dlg.Destroy()
1910
1911
1912	if G2frame.dataDisplay:
1913	G2frame.dataDisplay.Destroy()
1914	atomList = {}
1915	newAtomDict = data[histNames[0]]['newAtomDict']
1916	for item in newAtomDict:
1917	if item in data['varyList']:
1918	atomList[newAtomDict[item][0]] = item
1919	cellList = {}
1920	newCellDict = data[histNames[0]]['newCellDict']
1921	for item in newCellDict:
1922	if item in data['varyList']:
1923	cellList[newCellDict[item][0]] = item
1924	sampleParms = GetSampleParms()
1925	Rwps = GetRwps()
1926	SetDataMenuBar(G2frame,G2frame.dataFrame.SequentialMenu)
1927	G2frame.dataFrame.SetLabel('Sequential refinement results')
1928	G2frame.dataFrame.CreateStatusBar()
1929	G2frame.dataFrame.Bind(wx.EVT_MENU, OnSaveSelSeq, id=wxID_SAVESEQSEL)
1930	colLabels = ['Rwp',]+data['varyList']+atomList.keys()+cellList.keys()
1931	Types = (len(data['varyList']+atomList.keys()+cellList.keys())+1)*[wg.GRID_VALUE_FLOAT,]
1932	seqList = [[Rwps[i],]+list(data[name]['variables']) for i,name in enumerate(histNames)]
1933	for i,item in enumerate(seqList):
1934	newAtomDict = data[histNames[i]]['newAtomDict']
1935	newCellDict = data[histNames[i]]['newCellDict']
1936	item += [newAtomDict[atomList[parm]][1] for parm in atomList.keys()]
1937	item += [newCellDict[cellList[parm]][1] for parm in cellList.keys()]
1938	G2frame.SeqTable = Table(seqList,colLabels=colLabels,rowLabels=histNames,types=Types)
1939	G2frame.dataDisplay = GSGrid(parent=G2frame.dataFrame)
1940	G2frame.dataDisplay.SetTable(G2frame.SeqTable, True)
1941	G2frame.dataDisplay.EnableEditing(False)
1942	G2frame.dataDisplay.Bind(wg.EVT_GRID_LABEL_LEFT_DCLICK, Select)
1943	G2frame.dataDisplay.SetRowLabelSize(8*len(histNames[0])) #pretty arbitrary 8
1944	G2frame.dataDisplay.SetMargins(0,0)
1945	G2frame.dataDisplay.AutoSizeColumns(True)
1946	G2frame.dataFrame.setSizePosLeft([700,350])
1947
1948	################################################################################
1949	##### Main PWDR panel
1950	################################################################################
1951
1952	def UpdatePWHKPlot(G2frame,kind,item):
1953	'''Needs a doc string
1954	'''
1955
1956	def OnErrorAnalysis(event):
1957	G2plt.PlotDeltSig(G2frame,kind)
1958
1959	def OnWtFactor(event):
1960	try:
1961	val = float(wtval.GetValue())
1962	except ValueError:
1963	val = data[0]['wtFactor']
1964	data[0]['wtFactor'] = val
1965	wtval.SetValue('%.3f'%(val))
1966
1967	data = G2frame.PatternTree.GetItemPyData(item)
1968	if 'wtFactor' not in data[0]:
1969	data[0] = {'wtFactor':1.0}
1970	if G2frame.dataDisplay:
1971	G2frame.dataDisplay.Destroy()
1972	SetDataMenuBar(G2frame,G2frame.dataFrame.ErrorMenu)
1973	G2frame.dataFrame.Bind(wx.EVT_MENU,OnErrorAnalysis, id=wxID_PWDANALYSIS)
1974	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
1975
1976	mainSizer = wx.BoxSizer(wx.VERTICAL)
1977	mainSizer.Add((5,5),)
1978	wtSizer = wx.BoxSizer(wx.HORIZONTAL)
1979	wtSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' Weight factor: '),0,wx.ALIGN_CENTER_VERTICAL)
1980	wtval = wx.TextCtrl(G2frame.dataDisplay,-1,'%.3f'%(data[0]['wtFactor']),style=wx.TE_PROCESS_ENTER)
1981	wtval.Bind(wx.EVT_TEXT_ENTER,OnWtFactor)
1982	wtval.Bind(wx.EVT_KILL_FOCUS,OnWtFactor)
1983	wtSizer.Add(wtval,0,wx.ALIGN_CENTER_VERTICAL)
1984	mainSizer.Add(wtSizer)
1985	mainSizer.Layout()
1986	G2frame.dataDisplay.SetSizer(mainSizer)
1987	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
1988	G2frame.PatternTree.SetItemPyData(item,data)
1989	if kind == 'PWDR':
1990	G2plt.PlotPatterns(G2frame,newPlot=True)
1991	elif kind == 'HKLF':
1992	G2plt.PlotSngl(G2frame,newPlot=True)
1993
1994	################################################################################
1995	##### HKLF controls
1996	################################################################################
1997
1998	def UpdateHKLControls(G2frame,data):
1999	'''Needs a doc string
2000	'''
2001
2002	def OnScaleSlider(event):
2003	scale = int(scaleSel.GetValue())/1000.
2004	scaleSel.SetValue(int(scale*1000.))
2005	data['Scale'] = scale*1.
2006	G2plt.PlotSngl(G2frame)
2007
2008	def OnLayerSlider(event):
2009	layer = layerSel.GetValue()
2010	data['Layer'] = layer
2011	G2plt.PlotSngl(G2frame)
2012
2013	def OnSelZone(event):
2014	data['Zone'] = zoneSel.GetValue()
2015	izone = zones.index(data['Zone'])
2016	layerSel.SetRange(maxValue=HKLmax[izone],minValue=HKLmin[izone])
2017	G2plt.PlotSngl(G2frame,newPlot=True)
2018
2019	def OnSelType(event):
2020	data['Type'] = typeSel.GetValue()
2021	G2plt.PlotSngl(G2frame)
2022
2023	def SetStatusLine():
2024	Status.SetStatusText("")
2025
2026	if G2frame.dataDisplay:
2027	G2frame.dataDisplay.Destroy()
2028	if not G2frame.dataFrame.GetStatusBar():
2029	Status = G2frame.dataFrame.CreateStatusBar()
2030	SetStatusLine()
2031	zones = ['100','010','001']
2032	HKLmax = data['HKLmax']
2033	HKLmin = data['HKLmin']
2034	typeChoices = ['Fosq','Fo','\|DFsq\|/sig','\|DFsq\|>sig','\|DFsq\|>3sig']
2035	G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
2036	SetDataMenuBar(G2frame)
2037	G2frame.dataFrame.SetTitle('HKL Plot Controls')
2038	mainSizer = wx.BoxSizer(wx.VERTICAL)
2039	mainSizer.Add((5,10),0)
2040
2041	scaleSizer = wx.BoxSizer(wx.HORIZONTAL)
2042	scaleSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Scale'),0,
2043	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
2044	scaleSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=1000,minValue=1,
2045	style=wx.SL_HORIZONTAL,value=int(data['Scale']*10))
2046	scaleSizer.Add(scaleSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
2047	scaleSel.SetLineSize(10)
2048	scaleSel.SetPageSize(10)
2049	scaleSel.Bind(wx.EVT_SLIDER, OnScaleSlider)
2050	mainSizer.Add(scaleSizer,0,wx.EXPAND\|wx.RIGHT)
2051	mainSizer.Add((0,10),0)
2052
2053	zoneSizer = wx.BoxSizer(wx.HORIZONTAL)
2054	zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Zone '),0,
2055	wx.ALIGN_CENTER_VERTICAL)
2056	zoneSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Zone'],choices=['100','010','001'],
2057	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
2058	zoneSel.Bind(wx.EVT_COMBOBOX, OnSelZone)
2059	zoneSizer.Add(zoneSel,0,wx.ALIGN_CENTER_VERTICAL)
2060	zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Plot type '),0,
2061	wx.ALIGN_CENTER_VERTICAL)
2062	typeSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Type'],choices=typeChoices,
2063	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
2064	typeSel.Bind(wx.EVT_COMBOBOX, OnSelType)
2065	zoneSizer.Add(typeSel,0,wx.ALIGN_CENTER_VERTICAL)
2066	zoneSizer.Add((10,0),0)
2067	mainSizer.Add(zoneSizer,0,wx.EXPAND\|wx.RIGHT)
2068	mainSizer.Add((0,10),0)
2069
2070	izone = zones.index(data['Zone'])
2071	layerSizer = wx.BoxSizer(wx.HORIZONTAL)
2072	layerSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Layer'),0,
2073	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
2074	layerSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=HKLmax[izone],minValue=HKLmin[izone],
2075	style=wx.SL_HORIZONTAL\|wx.SL_AUTOTICKS\|wx.SL_LABELS,value=0)
2076	layerSel.SetLineSize(1)
2077	layerSel.SetPageSize(1)
2078	layerSel.Bind(wx.EVT_SLIDER, OnLayerSlider)
2079	layerSizer.Add(layerSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
2080	layerSizer.Add((10,0),0)
2081	mainSizer.Add(layerSizer,1,wx.EXPAND\|wx.RIGHT)
2082
2083
2084	mainSizer.Layout()
2085	G2frame.dataDisplay.SetSizer(mainSizer)
2086	G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame))
2087	G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame))
2088
2089	################################################################################
2090	##### Pattern tree routines
2091	################################################################################
2092
2093	def GetPatternTreeDataNames(G2frame,dataTypes):
2094	'''Needs a doc string
2095	'''
2096	names = []
2097	item, cookie = G2frame.PatternTree.GetFirstChild(G2frame.root)
2098	while item:
2099	name = G2frame.PatternTree.GetItemText(item)
2100	if name[:4] in dataTypes:
2101	names.append(name)
2102	item, cookie = G2frame.PatternTree.GetNextChild(G2frame.root, cookie)
2103	return names
2104
2105	def GetPatternTreeItemId(G2frame, parentId, itemText):
2106	'''Needs a doc string
2107	'''
2108	item, cookie = G2frame.PatternTree.GetFirstChild(parentId)
2109	while item:
2110	if G2frame.PatternTree.GetItemText(item) == itemText:
2111	return item
2112	item, cookie = G2frame.PatternTree.GetNextChild(parentId, cookie)
2113	return 0
2114
2115	def MovePatternTreeToGrid(G2frame,item):
2116	'''Needs a doc string
2117	'''
2118
2119	# print G2frame.PatternTree.GetItemText(item)
2120
2121	oldPage = None # will be set later if already on a Phase item
2122	if G2frame.dataFrame:
2123	SetDataMenuBar(G2frame)
2124	if G2frame.dataFrame.GetLabel() == 'Comments':
2125	try:
2126	data = [G2frame.dataDisplay.GetValue()]
2127	G2frame.dataDisplay.Clear()
2128	Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Comments')
2129	if Id: G2frame.PatternTree.SetItemPyData(Id,data)
2130	except: #clumsy but avoids dead window problem when opening another project
2131	pass
2132	elif G2frame.dataFrame.GetLabel() == 'Notebook':
2133	try:
2134	data = [G2frame.dataDisplay.GetValue()]
2135	G2frame.dataDisplay.Clear()
2136	Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Notebook')
2137	if Id: G2frame.PatternTree.SetItemPyData(Id,data)
2138	except: #clumsy but avoids dead window problem when opening another project
2139	pass
2140	elif 'Phase Data for' in G2frame.dataFrame.GetLabel():
2141	if G2frame.dataDisplay:
2142	oldPage = G2frame.dataDisplay.GetSelection()
2143	G2frame.dataFrame.Clear()
2144	G2frame.dataFrame.SetLabel('')
2145	else:
2146	#create the frame for the data item window
2147	G2frame.dataFrame = DataFrame(parent=G2frame.mainPanel,frame=G2frame)
2148	G2frame.dataFrame.PhaseUserSize = None
2149
2150	G2frame.dataFrame.Raise()
2151	G2frame.PickId = 0
2152	parentID = G2frame.root
2153	for i in G2frame.ExportPattern: i.Enable(False)
2154	defWid = [250,150]
2155	if item != G2frame.root:
2156	parentID = G2frame.PatternTree.GetItemParent(item)
2157	if G2frame.PatternTree.GetItemParent(item) == G2frame.root:
2158	G2frame.PatternId = item
2159	G2frame.PickId = item
2160	if G2frame.PatternTree.GetItemText(item) == 'Notebook':
2161	SetDataMenuBar(G2frame,G2frame.dataFrame.DataNotebookMenu)
2162	G2frame.PatternId = 0
2163	for i in G2frame.ExportPattern: i.Enable(False)
2164	data = G2frame.PatternTree.GetItemPyData(item)
2165	UpdateNotebook(G2frame,data)
2166	elif G2frame.PatternTree.GetItemText(item) == 'Controls':
2167	G2frame.PatternId = 0
2168	for i in G2frame.ExportPattern: i.Enable(False)
2169	data = G2frame.PatternTree.GetItemPyData(item)
2170	if not data: #fill in defaults
2171	data = {
2172	#least squares controls
2173	'deriv type':'analytic Hessian','min dM/M':0.0001,'shift factor':1.0,'max cyc':3}
2174	G2frame.PatternTree.SetItemPyData(item,data)
2175	for i in G2frame.Refine: i.Enable(True)
2176	for i in G2frame.SeqRefine: i.Enable(True)
2177	UpdateControls(G2frame,data)
2178	elif G2frame.PatternTree.GetItemText(item) == 'Sequential results':
2179	data = G2frame.PatternTree.GetItemPyData(item)
2180	UpdateSeqResults(G2frame,data)
2181	elif G2frame.PatternTree.GetItemText(item) == 'Covariance':
2182	data = G2frame.PatternTree.GetItemPyData(item)
2183	G2frame.dataFrame.setSizePosLeft(defWid)
2184	text = ''
2185	if 'Rvals' in data:
2186	Nvars = len(data['varyList'])
2187	Rvals = data['Rvals']
2188	text = '\nFinal residuals: \nRw = %.3f%% \nchi**2 = %.1f \nGOF = %.2f'%(Rvals['Rwp'],Rvals['chisq'],Rvals['GOF'])
2189	text += '\nNobs = %d \nNvals = %d'%(Rvals['Nobs'],Nvars)
2190	if 'lamMax' in Rvals:
2191	text += '\nlog10 MaxLambda = %.1f'%(np.log10(Rvals['lamMax']))
2192	wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
2193	value='See plot window for covariance display'+text,style=wx.TE_MULTILINE)
2194	G2plt.PlotCovariance(G2frame,data)
2195	elif G2frame.PatternTree.GetItemText(item) == 'Constraints':
2196	data = G2frame.PatternTree.GetItemPyData(item)
2197	G2cnstG.UpdateConstraints(G2frame,data)
2198	elif G2frame.PatternTree.GetItemText(item) == 'Rigid bodies':
2199	data = G2frame.PatternTree.GetItemPyData(item)
2200	G2cnstG.UpdateRigidBodies(G2frame,data)
2201	elif G2frame.PatternTree.GetItemText(item) == 'Restraints':
2202	data = G2frame.PatternTree.GetItemPyData(item)
2203	Phases = G2frame.GetPhaseData()
2204	phase = ''
2205	phaseName = ''
2206	if Phases:
2207	phaseName = Phases.keys()[0]
2208	G2frame.dataFrame.setSizePosLeft(defWid)
2209	G2restG.UpdateRestraints(G2frame,data,Phases,phaseName)
2210	elif 'IMG' in G2frame.PatternTree.GetItemText(item):
2211	G2frame.Image = item
2212	G2plt.PlotImage(G2frame,newPlot=True)
2213	elif 'PKS' in G2frame.PatternTree.GetItemText(item):
2214	G2plt.PlotPowderLines(G2frame)
2215	elif 'PWDR' in G2frame.PatternTree.GetItemText(item):
2216	for i in G2frame.ExportPattern: i.Enable(True)
2217	UpdatePWHKPlot(G2frame,'PWDR',item)
2218	elif 'HKLF' in G2frame.PatternTree.GetItemText(item):
2219	G2frame.Sngl = item
2220	UpdatePWHKPlot(G2frame,'HKLF',item)
2221	elif 'PDF' in G2frame.PatternTree.GetItemText(item):
2222	G2frame.PatternId = item
2223	for i in G2frame.ExportPDF: i.Enable(True)
2224	G2plt.PlotISFG(G2frame,type='S(Q)')
2225	elif G2frame.PatternTree.GetItemText(item) == 'Phases':
2226	G2frame.dataFrame.setSizePosLeft(defWid)
2227	wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
2228	value='Select one phase to see its parameters')
2229	elif 'I(Q)' in G2frame.PatternTree.GetItemText(item):
2230	G2frame.PickId = item
2231	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2232	G2plt.PlotISFG(G2frame,type='I(Q)',newPlot=True)
2233	elif 'S(Q)' in G2frame.PatternTree.GetItemText(item):
2234	G2frame.PickId = item
2235	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2236	G2plt.PlotISFG(G2frame,type='S(Q)',newPlot=True)
2237	elif 'F(Q)' in G2frame.PatternTree.GetItemText(item):
2238	G2frame.PickId = item
2239	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2240	G2plt.PlotISFG(G2frame,type='F(Q)',newPlot=True)
2241	elif 'G(R)' in G2frame.PatternTree.GetItemText(item):
2242	G2frame.PickId = item
2243	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2244	G2plt.PlotISFG(G2frame,type='G(R)',newPlot=True)
2245	elif G2frame.PatternTree.GetItemText(parentID) == 'Phases':
2246	G2frame.PickId = item
2247	data = G2frame.PatternTree.GetItemPyData(item)
2248	G2phG.UpdatePhaseData(G2frame,item,data,oldPage)
2249	elif G2frame.PatternTree.GetItemText(item) == 'Comments':
2250	SetDataMenuBar(G2frame,G2frame.dataFrame.DataCommentsMenu)
2251	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2252	G2frame.PickId = item
2253	data = G2frame.PatternTree.GetItemPyData(item)
2254	UpdateComments(G2frame,data)
2255	elif G2frame.PatternTree.GetItemText(item) == 'Image Controls':
2256	G2frame.dataFrame.SetTitle('Image Controls')
2257	G2frame.PickId = item
2258	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2259	masks = G2frame.PatternTree.GetItemPyData(
2260	GetPatternTreeItemId(G2frame,G2frame.Image, 'Masks'))
2261	data = G2frame.PatternTree.GetItemPyData(item)
2262	G2imG.UpdateImageControls(G2frame,data,masks)
2263	G2plt.PlotImage(G2frame)
2264	elif G2frame.PatternTree.GetItemText(item) == 'Masks':
2265	G2frame.dataFrame.SetTitle('Masks')
2266	G2frame.PickId = item
2267	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2268	data = G2frame.PatternTree.GetItemPyData(item)
2269	G2imG.UpdateMasks(G2frame,data)
2270	G2plt.PlotImage(G2frame)
2271	elif G2frame.PatternTree.GetItemText(item) == 'Stress/Strain':
2272	G2frame.dataFrame.SetTitle('Stress/Strain')
2273	G2frame.PickId = item
2274	G2frame.Image = G2frame.PatternTree.GetItemParent(item)
2275	data = G2frame.PatternTree.GetItemPyData(item)
2276	G2imG.UpdateStressStrain(G2frame,data)
2277	G2plt.PlotImage(G2frame)
2278	elif G2frame.PatternTree.GetItemText(item) == 'HKL Plot Controls':
2279	G2frame.PickId = item
2280	G2frame.Sngl = G2frame.PatternTree.GetItemParent(item)
2281	data = G2frame.PatternTree.GetItemPyData(item)
2282	UpdateHKLControls(G2frame,data)
2283	G2plt.PlotSngl(G2frame)
2284	elif G2frame.PatternTree.GetItemText(item) == 'PDF Controls':
2285	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2286	for i in G2frame.ExportPDF: i.Enable(True)
2287	G2frame.PickId = item
2288	data = G2frame.PatternTree.GetItemPyData(item)
2289	G2pdG.UpdatePDFGrid(G2frame,data)
2290	G2plt.PlotISFG(G2frame,type='I(Q)')
2291	G2plt.PlotISFG(G2frame,type='S(Q)')
2292	G2plt.PlotISFG(G2frame,type='F(Q)')
2293	G2plt.PlotISFG(G2frame,type='G(R)')
2294	elif G2frame.PatternTree.GetItemText(item) == 'Peak List':
2295	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2296	for i in G2frame.ExportPeakList: i.Enable(True)
2297	G2frame.PickId = item
2298	data = G2frame.PatternTree.GetItemPyData(item)
2299	G2pdG.UpdatePeakGrid(G2frame,data)
2300	G2plt.PlotPatterns(G2frame)
2301	elif G2frame.PatternTree.GetItemText(item) == 'Background':
2302	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2303	G2frame.PickId = item
2304	data = G2frame.PatternTree.GetItemPyData(item)
2305	G2pdG.UpdateBackground(G2frame,data)
2306	G2plt.PlotPatterns(G2frame)
2307	elif G2frame.PatternTree.GetItemText(item) == 'Limits':
2308	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2309	G2frame.PickId = item
2310	data = G2frame.PatternTree.GetItemPyData(item)
2311	G2pdG.UpdateLimitsGrid(G2frame,data)
2312	G2plt.PlotPatterns(G2frame)
2313	elif G2frame.PatternTree.GetItemText(item) == 'Instrument Parameters':
2314	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2315	G2frame.PickId = item
2316	data = G2frame.PatternTree.GetItemPyData(item)[0]
2317	G2pdG.UpdateInstrumentGrid(G2frame,data)
2318	G2plt.PlotPeakWidths(G2frame)
2319	elif G2frame.PatternTree.GetItemText(item) == 'Sample Parameters':
2320	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2321	G2frame.PickId = item
2322	data = G2frame.PatternTree.GetItemPyData(item)
2323
2324	if 'Temperature' not in data: #temp fix for old gpx files
2325	data = {'Scale':[1.0,True],'Type':'Debye-Scherrer','Absorption':[0.0,False],'DisplaceX':[0.0,False],
2326	'DisplaceY':[0.0,False],'Diffuse':[],'Temperature':300.,'Pressure':1.0,'Humidity':0.0,'Voltage':0.0,
2327	'Force':0.0,'Gonio. radius':200.0}
2328	G2frame.PatternTree.SetItemPyData(item,data)
2329
2330	G2pdG.UpdateSampleGrid(G2frame,data)
2331	G2plt.PlotPatterns(G2frame)
2332	elif G2frame.PatternTree.GetItemText(item) == 'Index Peak List':
2333	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2334	for i in G2frame.ExportPeakList: i.Enable(True)
2335	G2frame.PickId = item
2336	data = G2frame.PatternTree.GetItemPyData(item)
2337	G2pdG.UpdateIndexPeaksGrid(G2frame,data)
2338	if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId):
2339	G2plt.PlotPowderLines(G2frame)
2340	else:
2341	G2plt.PlotPatterns(G2frame)
2342	elif G2frame.PatternTree.GetItemText(item) == 'Unit Cells List':
2343	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2344	G2frame.PickId = item
2345	data = G2frame.PatternTree.GetItemPyData(item)
2346	if not data:
2347	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
2348	data.append([0,0,0,0,0,0,0,0,0,0,0,0,0,0]) #Bravais lattice flags
2349	data.append([]) #empty cell list
2350	data.append([]) #empty dmin
2351	G2frame.PatternTree.SetItemPyData(item,data)
2352	G2pdG.UpdateUnitCellsGrid(G2frame,data)
2353	if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId):
2354	G2plt.PlotPowderLines(G2frame)
2355	else:
2356	G2plt.PlotPatterns(G2frame)
2357	elif G2frame.PatternTree.GetItemText(item) == 'Reflection Lists': #powder reflections
2358	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2359	G2frame.PickId = item
2360	data = G2frame.PatternTree.GetItemPyData(item)
2361	G2frame.RefList = ''
2362	if len(data):
2363	G2frame.RefList = data.keys()[0]
2364	G2pdG.UpdateReflectionGrid(G2frame,data)
2365	G2plt.PlotPatterns(G2frame)
2366	elif G2frame.PatternTree.GetItemText(item) == 'Reflection List': #HKLF reflections
2367	G2frame.PatternId = G2frame.PatternTree.GetItemParent(item)
2368	name = G2frame.PatternTree.GetItemText(G2frame.PatternId)
2369	data = G2frame.PatternTree.GetItemPyData(G2frame.PatternId)
2370	G2pdG.UpdateReflectionGrid(G2frame,data,HKLF=True,Name=name)
2371
2372	def SetDataMenuBar(G2frame,menu=None):
2373	'''Set the menu for the data frame. On the Mac put this
2374	menu for the data tree window instead.
2375
2376	Note that data frame items do not have menus, for these (menu=None)
2377	display a blank menu or on the Mac display the standard menu for
2378	the data tree window.
2379	'''
2380	if sys.platform == "darwin":
2381	if menu is None:
2382	G2frame.SetMenuBar(G2frame.GSASIIMenu)
2383	else:
2384	G2frame.SetMenuBar(menu)
2385	else:
2386	if menu is None:
2387	G2frame.dataFrame.SetMenuBar(G2frame.dataFrame.BlankMenu)
2388	else:
2389	G2frame.dataFrame.SetMenuBar(menu)
2390
2391	def HorizontalLine(sizer,parent):
2392	'''Draws a horizontal line as wide as the window.
2393	This shows up on the Mac as a very thin line, no matter what I do
2394	'''
2395	line = wx.StaticLine(parent,-1, size=(-1,3), style=wx.LI_HORIZONTAL)
2396	sizer.Add(line, 0, wx.EXPAND\|wx.ALIGN_CENTER\|wx.ALL, 10)
2397

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