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source: trunk/GSASIIddataGUI.py @ 4655

Last change on this file since 4655 was 4651, checked in by vondreele, 5 years ago
problem with "generalized" mustrain for R3 now fixed.The S301 term should not have been present.
Property svn:eol-style set to `native` Property svn:keywords set to `Date Author Revision URL Id`
File size: 49.1 KB

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1	# -- coding: utf-8 --
2	#GSASII - phase data display routines
3	########### SVN repository information ###################
4	# $Date: 2020-11-07 23:14:28 +0000 (Sat, 07 Nov 2020) $
5	# $Author: toby $
6	# $Revision: 4651 $
7	# $URL: trunk/GSASIIddataGUI.py $
8	# $Id: GSASIIddataGUI.py 4651 2020-11-07 23:14:28Z toby $
9	########### SVN repository information ###################
10	'''
11	GSASIIddataGUI: Phase Diffraction Data GUI
12	--------------------------------------------
13
14	Module to create the GUI for display of diffraction data * phase
15	information that is shown in the data display window
16	(when a phase is selected.)
17
18	'''
19	from __future__ import division, print_function
20	import wx
21	import numpy as np
22	import numpy.linalg as nl
23	import GSASIIpath
24	GSASIIpath.SetVersionNumber("$Revision: 4651 $")
25	import GSASIIlattice as G2lat
26	import GSASIIspc as G2spc
27	import GSASIIplot as G2plt
28	import GSASIIpwd as G2pwd
29	import GSASIIphsGUI as G2phG
30	import GSASIIctrlGUI as G2G
31	import GSASIIpy3 as G2py3
32
33	WACV = wx.ALIGN_CENTER_VERTICAL
34	VERY_LIGHT_GREY = wx.Colour(235,235,235)
35	WHITE = wx.Colour(255,255,255)
36	BLACK = wx.Colour(0,0,0)
37	mapDefault = {'MapType':'','RefList':'','GridStep':0.25,'Show bonds':True,
38	'rho':[],'rhoMax':0.,'mapSize':10.0,'cutOff':50.,'Flip':False}
39
40	################################################################################
41	##### DData routines
42	################################################################################
43	def UpdateDData(G2frame,DData,data,hist='',Scroll=0):
44	'''Display the Diffraction Data associated with a phase
45	(items where there is a value for each histogram and phase)
46
47	:param wx.frame G2frame: the main GSAS-II frame object
48	:param wx.ScrolledWindow DData: notebook page to be used for the display
49	:param dict data: all the information on the phase in a dictionary
50	:param str hist: histogram name
51	:param int Scroll: previous scroll position
52
53	'''
54	def PlotSizer():
55
56	def OnPlotSel(event):
57	Obj = event.GetEventObject()
58	generalData['Data plot type'] = Obj.GetStringSelection()
59	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
60	wx.CallLater(100,UpdateDData,G2frame,DData,data,G2frame.hist)
61
62	def OnPOhkl(event):
63	event.Skip()
64	Obj = event.GetEventObject()
65	Saxis = Obj.GetValue().split()
66	try:
67	hkl = [int(Saxis[i]) for i in range(3)]
68	except (ValueError,IndexError):
69	hkl = generalData['POhkl']
70	if not np.any(np.array(hkl)):
71	hkl = generalData['POhkl']
72	generalData['POhkl'] = hkl
73	h,k,l = hkl
74	Obj.SetValue('%3d %3d %3d'%(h,k,l))
75	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
76
77	def OnProj(event):
78	Obj = event.GetEventObject()
79	generalData['3Dproj'] = Obj.GetValue()
80	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
81
82	plotSizer = wx.BoxSizer(wx.VERTICAL)
83	choice = ['None','Mustrain','Size','Preferred orientation','St. proj. Inv. pole figure','Eq. area Inv. pole figure']
84	plotSel = wx.RadioBox(DData,wx.ID_ANY,'Select plot type:',choices=choice,
85	majorDimension=1,style=wx.RA_SPECIFY_COLS)
86	plotSel.SetStringSelection(generalData['Data plot type'])
87	plotSel.Bind(wx.EVT_RADIOBOX,OnPlotSel)
88	plotSizer.Add(plotSel)
89	if generalData['Data plot type'] == 'Preferred orientation':
90	POhklSizer = wx.BoxSizer(wx.HORIZONTAL)
91	POhklSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Plot preferred orientation for H K L: '),0,WACV)
92	h,k,l = generalData['POhkl']
93	poAxis = wx.TextCtrl(DData,wx.ID_ANY,'%3d %3d %3d'%(h,k,l),style=wx.TE_PROCESS_ENTER)
94	poAxis.Bind(wx.EVT_TEXT_ENTER,OnPOhkl)
95	poAxis.Bind(wx.EVT_KILL_FOCUS,OnPOhkl)
96	POhklSizer.Add(poAxis,0,WACV)
97	plotSizer.Add(POhklSizer)
98	elif generalData['Data plot type'] in ['Mustrain','Size']:
99	projSizer = wx.BoxSizer(wx.HORIZONTAL)
100	projSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Show projections for: '),0,WACV)
101	proj = ['','x','y','z','xy','xz','yz','xyz']
102	projType = wx.ComboBox(DData,wx.ID_ANY,value=generalData['3Dproj'],choices=proj,
103	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
104	projType.Bind(wx.EVT_COMBOBOX, OnProj)
105	projSizer.Add(projType,0,WACV)
106	plotSizer.Add(projSizer)
107	return plotSizer
108
109	def ScaleSizer():
110
111	def OnScaleRef(event):
112	Obj = event.GetEventObject()
113	UseList[G2frame.hist]['Scale'][1] = Obj.GetValue()
114	def onChangeFraction(invalid,value,tc):
115	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
116
117	scaleSizer = wx.BoxSizer(wx.HORIZONTAL)
118	if 'PWDR' in G2frame.hist:
119	scaleRef = wx.CheckBox(DData,wx.ID_ANY,label=' Phase fraction: ')
120	elif 'HKLF' in G2frame.hist:
121	scaleRef = wx.CheckBox(DData,wx.ID_ANY,label=' Scale factor: ')
122	scaleRef.SetValue(UseList[G2frame.hist]['Scale'][1])
123	scaleRef.Bind(wx.EVT_CHECKBOX, OnScaleRef)
124	scaleSizer.Add(scaleRef,0,WACV\|wx.LEFT,5)
125	scaleVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Scale'],0,
126	xmin=0.,nDig=(10,4),typeHint=float,OnLeave=onChangeFraction)
127	scaleSizer.Add(scaleVal,0,WACV)
128	if 'PWDR' in G2frame.hist and generalData['Type'] != 'magnetic':
129	wtSum = G2pwd.PhaseWtSum(G2frame,G2frame.hist)
130	if wtSum and UseList[G2frame.hist]['Use']:
131	weightFr = UseList[G2frame.hist]['Scale'][0]*generalData['Mass']/wtSum
132	scaleSizer.Add(wx.StaticText(DData,label=' Wt. fraction: %.3f'%(weightFr)),0,WACV)
133	return scaleSizer
134
135	def OnLGmixRef(event):
136	Obj = event.GetEventObject()
137	hist,name = Indx[Obj.GetId()]
138	UseList[G2frame.hist][name][2][2] = Obj.GetValue()
139
140	def OnSizeType(event):
141	Obj = event.GetEventObject()
142	UseList[G2frame.hist]['Size'][0] = Obj.GetValue()
143	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
144	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
145
146	def OnSizeRef(event):
147	Obj = event.GetEventObject()
148	hist,pid = Indx[Obj.GetId()]
149	if UseList[G2frame.hist]['Size'][0] == 'ellipsoidal':
150	UseList[G2frame.hist]['Size'][5][pid] = Obj.GetValue()
151	else:
152	UseList[G2frame.hist]['Size'][2][pid] = Obj.GetValue()
153
154	def OnStrainType(event):
155	Obj = event.GetEventObject()
156	UseList[G2frame.hist]['Mustrain'][0] = Obj.GetValue()
157	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
158	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
159
160	def OnStrainRef(event):
161	Obj = event.GetEventObject()
162	hist,pid = Indx[Obj.GetId()]
163	if UseList[G2frame.hist]['Mustrain'][0] == 'generalized':
164	UseList[G2frame.hist]['Mustrain'][5][pid] = Obj.GetValue()
165	else:
166	UseList[G2frame.hist]['Mustrain'][2][pid] = Obj.GetValue()
167
168	def OnStrainAxis(event):
169	event.Skip()
170	Obj = event.GetEventObject()
171	Saxis = Obj.GetValue().split()
172	try:
173	hkl = [int(Saxis[i]) for i in range(3)]
174	except (ValueError,IndexError):
175	hkl = UseList[G2frame.hist]['Mustrain'][3]
176	if not np.any(np.array(hkl)):
177	hkl = UseList[G2frame.hist]['Mustrain'][3]
178	UseList[G2frame.hist]['Mustrain'][3] = hkl
179	h,k,l = hkl
180	Obj.SetValue('%3d %3d %3d'%(h,k,l))
181	wx.CallAfter(G2plt.PlotSizeStrainPO,G2frame,data,hist)
182
183	def OnResetStrain(event):
184	Obj = event.GetEventObject()
185	item,name = Indx[Obj.GetId()]
186	if name == 'isotropic':
187	UseList[item]['Mustrain'][1][0] = 1000.0
188	elif name == 'uniaxial':
189	UseList[item]['Mustrain'][1][0] = 1000.0
190	UseList[item]['Mustrain'][1][1] = 1000.0
191	elif name == 'generalized':
192	muiso = 1000.
193	cell = generalData['Cell'][1:7]
194	vals = G2spc.Muiso2Shkl(muiso,SGData,cell)
195	UseList[item]['Mustrain'][4] = vals
196	G2plt.PlotSizeStrainPO(G2frame,data,item)
197	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
198
199	def OnPOAxis(event):
200	event.Skip()
201	Obj = event.GetEventObject()
202	Saxis = Obj.GetValue().split()
203	try:
204	hkl = [int(Saxis[i]) for i in range(3)]
205	except (ValueError,IndexError):
206	hkl = UseList[G2frame.hist]['Pref.Ori.'][3]
207	if not np.any(np.array(hkl)):
208	hkl = UseList[G2frame.hist]['Pref.Ori.'][3]
209	UseList[G2frame.hist]['Pref.Ori.'][3] = hkl
210	h,k,l = hkl
211	Obj.SetValue('%3d %3d %3d'%(h,k,l))
212
213	def OnPOOrder(event):
214	Obj = event.GetEventObject()
215	Order = int(Obj.GetValue())
216	UseList[G2frame.hist]['Pref.Ori.'][4] = Order
217	UseList[G2frame.hist]['Pref.Ori.'][5] = SetPOCoef(Order,G2frame.hist)
218	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
219
220	def OnPOType(event):
221	Obj = event.GetEventObject()
222	if 'March' in Obj.GetValue():
223	UseList[G2frame.hist]['Pref.Ori.'][0] = 'MD'
224	else:
225	UseList[G2frame.hist]['Pref.Ori.'][0] = 'SH'
226	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
227
228	def OnPORef(event):
229	Obj = event.GetEventObject()
230	UseList[G2frame.hist]['Pref.Ori.'][2] = Obj.GetValue()
231
232	def SetPOCoef(Order,hist):
233	cofNames = G2lat.GenSHCoeff(SGData['SGLaue'],'0',Order,False) #cylindrical & no M
234	newPOCoef = dict(zip(cofNames,np.zeros(len(cofNames))))
235	POCoeff = UseList[G2frame.hist]['Pref.Ori.'][5]
236	for cofName in POCoeff:
237	if cofName in cofNames:
238	newPOCoef[cofName] = POCoeff[cofName]
239	return newPOCoef
240
241	def checkAxis(axis):
242	if not np.any(np.array(axis)):
243	return False
244	return axis
245
246	def OnNewValue(invalid,value,tc):
247	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
248
249	def OnNewValueReDraw(invalid,value,tc):
250	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
251	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
252
253	def TopSizer(name,choices,parm,OnType):
254	topSizer = wx.BoxSizer(wx.HORIZONTAL)
255	topSizer.Add(wx.StaticText(DData,wx.ID_ANY,name),0,WACV)
256	sizeType = wx.ComboBox(DData,wx.ID_ANY,value=UseList[G2frame.hist][parm][0],choices=choices,
257	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
258	sizeType.Bind(wx.EVT_COMBOBOX, OnType)
259	topSizer.Add(sizeType,0,WACV\|wx.BOTTOM,5)
260	return topSizer
261
262	def LGmixSizer(name,Limits,OnRef):
263	lgmixSizer = wx.BoxSizer(wx.HORIZONTAL)
264	lgmixRef = wx.CheckBox(DData,wx.ID_ANY,label='LGmix')
265	lgmixRef.thisown = False
266	lgmixRef.SetValue(UseList[G2frame.hist][name][2][2])
267	Indx[lgmixRef.GetId()] = [G2frame.hist,name]
268	lgmixRef.Bind(wx.EVT_CHECKBOX, OnRef)
269	lgmixSizer.Add(lgmixRef,0,WACV\|wx.LEFT,5)
270	lgmixVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist][name][1],2,
271	nDig=(10,3),xmin=Limits[0],xmax=Limits[1])
272	lgmixSizer.Add(lgmixVal,0,WACV\|wx.LEFT,5)
273	return lgmixSizer
274
275	def ResetSizer(name,OnReset):
276	resetSizer = wx.BoxSizer(wx.HORIZONTAL)
277	reset = wx.Button(DData,wx.ID_ANY,label='Reset?')
278	reset.thisown = False
279	Indx[reset.GetId()] = [G2frame.hist,name]
280	reset.Bind(wx.EVT_BUTTON,OnReset)
281	resetSizer.Add(reset,0,WACV)
282	return resetSizer
283
284	def IsoSizer(name,parm,fmt,Limits,OnRef):
285	isoSizer = wx.BoxSizer(wx.HORIZONTAL)
286	sizeRef = wx.CheckBox(DData,wx.ID_ANY,label=name)
287	sizeRef.thisown = False
288	sizeRef.SetValue(UseList[G2frame.hist][parm][2][0])
289	Indx[sizeRef.GetId()] = [G2frame.hist,0]
290	sizeRef.Bind(wx.EVT_CHECKBOX, OnRef)
291	isoSizer.Add(sizeRef,0,WACV\|wx.LEFT,5)
292	sizeVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist][parm][1],0,
293	nDig=fmt,xmin=Limits[0],xmax=Limits[1],OnLeave=OnNewValue)
294	isoSizer.Add(sizeVal,0,WACV)
295	return isoSizer
296
297	def UniSizer(parm,OnAxis):
298	uniSizer = wx.BoxSizer(wx.HORIZONTAL)
299	uniSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Unique axis, H K L: '),0,WACV)
300	h,k,l = UseList[G2frame.hist][parm][3]
301	Axis = wx.TextCtrl(DData,wx.ID_ANY,'%3d %3d %3d'%(h,k,l),style=wx.TE_PROCESS_ENTER)
302	Axis.Bind(wx.EVT_TEXT_ENTER,OnAxis)
303	Axis.Bind(wx.EVT_KILL_FOCUS,OnAxis)
304	uniSizer.Add(Axis,0,WACV\|wx.LEFT,5)
305	return uniSizer
306
307	def UniDataSizer(parmName,parm,fmt,Limits,OnRef):
308	dataSizer = wx.BoxSizer(wx.HORIZONTAL)
309	parms = zip([' Equatorial '+parmName,' Axial '+parmName],
310	UseList[G2frame.hist][parm][2],range(2))
311	for Pa,ref,Id in parms:
312	sizeRef = wx.CheckBox(DData,wx.ID_ANY,label=Pa)
313	sizeRef.thisown = False
314	sizeRef.SetValue(ref)
315	Indx[sizeRef.GetId()] = [G2frame.hist,Id]
316	sizeRef.Bind(wx.EVT_CHECKBOX, OnRef)
317	dataSizer.Add(sizeRef,0,WACV\|wx.LEFT,5)
318	sizeVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist][parm][1],
319	Id,fmt,xmin=Limits[0],xmax=Limits[1],OnLeave=OnNewValue)
320	dataSizer.Add(sizeVal,0,WACV)
321	return dataSizer
322
323	def EllSizeDataSizer():
324	parms = zip(['S11','S22','S33','S12','S13','S23'],UseList[G2frame.hist]['Size'][4],
325	UseList[G2frame.hist]['Size'][5],range(6))
326	dataSizer = wx.BoxSizer(wx.VERTICAL)
327	matrixSizer = wx.FlexGridSizer(0,6,5,5)
328	Sij = []
329	for Pa,val,ref,Id in parms:
330	sizeRef = wx.CheckBox(DData,wx.ID_ANY,label=Pa)
331	sizeRef.thisown = False
332	sizeRef.SetValue(ref)
333	Indx[sizeRef.GetId()] = [G2frame.hist,Id]
334	sizeRef.Bind(wx.EVT_CHECKBOX, OnSizeRef)
335	matrixSizer.Add(sizeRef,0,WACV)
336	if Id < 3:
337	sizeVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Size'][4],
338	Id,nDig=(10,3),xmin=0.,xmax=4.,OnLeave=OnNewValueReDraw)
339	else:
340	sizeVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Size'][4],
341	Id,nDig=(10,3),OnLeave=OnNewValueReDraw)
342	# Create Sij matrix
343	Sij += [val]
344	matrixSizer.Add(sizeVal,0,WACV)
345	dataSizer.Add(matrixSizer, 0)
346	Esize,Rsize = nl.eigh(G2lat.U6toUij(np.asarray(Sij)))
347	lengths = Esize
348	G,g = G2lat.cell2Gmat(data['General']['Cell'][1:7]) #recip & real metric tensors
349	GA,GB = G2lat.Gmat2AB(G) #Orthogonalization matricies
350	hkls = [x/(sum(x2)0.5) for x in np.dot(Rsize, GA)]
351	Ids = np.argsort(lengths)
352	dataSizer.Add(wx.StaticText(DData,label=' Principal ellipsoid components:'),0)
353	compSizer = wx.FlexGridSizer(3,3,5,5)
354	Axes = [' Short Axis:',' Middle Axis:',' Long Axis:']
355	for Id in Ids:
356	compSizer.Add(wx.StaticText(DData,label=Axes[Id]),0,WACV)
357	compSizer.Add(wx.StaticText(DData,label='(%.3f, %.3f, %.3f) '%(hkls[Id][0], hkls[Id][1], hkls[Id][2])),0,WACV)
358	compSizer.Add(wx.StaticText(DData,label='Length: %.3f'%lengths[Id]),0,WACV)
359	dataSizer.Add(compSizer)
360	return dataSizer
361
362	def GenStrainDataSizer():
363	Snames = G2spc.MustrainNames(SGData)
364	numb = len(Snames)
365	onumb = len(UseList[G2frame.hist]['Mustrain'][4])
366	while onumb < numb:
367	UseList[G2frame.hist]['Mustrain'][4].append(0.0)
368	UseList[G2frame.hist]['Mustrain'][5].append(False)
369	onumb += 1
370	muMean = G2spc.MuShklMean(SGData,Amat,UseList[G2frame.hist]['Mustrain'][4][:numb])
371	parms = zip(Snames,UseList[G2frame.hist]['Mustrain'][5],range(numb))
372	dataSizer = wx.FlexGridSizer(0,6,5,5)
373	for Pa,ref,Id in parms:
374	strainRef = wx.CheckBox(DData,wx.ID_ANY,label=Pa)
375	strainRef.thisown = False
376	strainRef.SetValue(ref)
377	Indx[strainRef.GetId()] = [G2frame.hist,Id]
378	strainRef.Bind(wx.EVT_CHECKBOX, OnStrainRef)
379	dataSizer.Add(strainRef,0,WACV)
380	strainVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Mustrain'][4],
381	Id,nDig=(10,2),OnLeave=OnNewValueReDraw)
382	dataSizer.Add(strainVal,0,WACV)
383	dataSizer.Add(wx.StaticText(DData,label=' Mean mustrain %.1f'%muMean),0,WACV)
384	return dataSizer
385
386	def HstrainSizer():
387
388	def OnHstrainRef(event):
389	Obj = event.GetEventObject()
390	hist,pid = Indx[Obj.GetId()]
391	UseList[G2frame.hist]['HStrain'][1][pid] = Obj.GetValue()
392
393	hSizer = wx.BoxSizer(wx.VERTICAL)
394	hstrainSizer = wx.FlexGridSizer(0,6,5,5)
395	Hsnames = G2spc.HStrainNames(SGData)
396	parms = zip(Hsnames,UseList[G2frame.hist]['HStrain'][1],range(len(Hsnames)))
397	allzero = True
398	for Pa,ref,Id in parms:
399	hstrainRef = wx.CheckBox(DData,wx.ID_ANY,label=Pa)
400	hstrainRef.thisown = False
401	hstrainRef.SetValue(ref)
402	Indx[hstrainRef.GetId()] = [G2frame.hist,Id]
403	hstrainRef.Bind(wx.EVT_CHECKBOX, OnHstrainRef)
404	hstrainSizer.Add(hstrainRef,0,WACV\|wx.LEFT,5)
405	hstrainVal = G2G.ValidatedTxtCtrl(DData,
406	UseList[G2frame.hist]['HStrain'][0],Id,nDig=(10,3,'g'),
407	OnLeave=OnNewValueReDraw)
408	if abs(UseList[G2frame.hist]['HStrain'][0][Id]) > 1e-8:
409	allzero = False
410	hstrainSizer.Add(hstrainVal,0,WACV)
411	hSizer.Add(hstrainSizer,0)
412	if not allzero: # show Dij shifted unit cell
413	DijVals = UseList[G2frame.hist]['HStrain'][0][:]
414	# apply the Dij values to the reciprocal cell
415	newA = []
416	Dijdict = dict(zip(G2spc.HStrainNames(SGData),DijVals))
417	for Aij,lbl in zip(G2lat.cell2A(data['General']['Cell'][1:7]),
418	['D11','D22','D33','D12','D13','D23']):
419	newA.append(Aij + Dijdict.get(lbl,0.0))
420	cell = G2lat.A2cell(newA) # convert back to direct cell
421	laue = generalData['SGData']['SGLaue']
422	if laue == '2/m':
423	laue += generalData['SGData']['SGUniq']
424	for cellGUI in G2py3.cellGUIlist:
425	if laue in cellGUI[0]:
426	useGUI = cellGUI
427	break
428	else:
429	return hSizer
430	cellstr = ''
431	for txt,fmt,ifEdit,Id in zip(*useGUI[2:]):
432	if cellstr: cellstr += ", "
433	cellstr += txt+fmt.format(cell[Id])
434	cellstr += ', Vol = {:.3f}'.format(G2lat.calc_V(newA))
435	hSizer.Add(wx.StaticText(DData,wx.ID_ANY,' '+cellstr),0)
436	return hSizer
437
438	def PoTopSizer(POData):
439	poSizer = wx.FlexGridSizer(0,6,5,5)
440	choice = ['March-Dollase','Spherical harmonics']
441	POtype = choice[['MD','SH'].index(POData[0])]
442	poSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Preferred orientation model '),0,WACV)
443	POType = wx.ComboBox(DData,wx.ID_ANY,value=POtype,choices=choice,
444	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
445	POType.Bind(wx.EVT_COMBOBOX, OnPOType)
446	poSizer.Add(POType)
447	if POData[0] == 'SH':
448	poSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Harmonic order: '),0,WACV)
449	poOrder = wx.ComboBox(DData,wx.ID_ANY,value=str(POData[4]),choices=[str(2*i) for i in range(18)],
450	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
451	poOrder.Bind(wx.EVT_COMBOBOX,OnPOOrder)
452	poSizer.Add(poOrder,0,WACV)
453	poRef = wx.CheckBox(DData,wx.ID_ANY,label=' Refine? ')
454	poRef.SetValue(POData[2])
455	poRef.Bind(wx.EVT_CHECKBOX,OnPORef)
456	poSizer.Add(poRef,0,WACV)
457	return poSizer
458
459	def MDDataSizer(POData):
460	poSizer = wx.BoxSizer(wx.HORIZONTAL)
461	poRef = wx.CheckBox(DData,wx.ID_ANY,label=' March-Dollase ratio: ')
462	poRef.SetValue(POData[2])
463	poRef.Bind(wx.EVT_CHECKBOX,OnPORef)
464	poSizer.Add(poRef,0,WACV\|wx.LEFT,5)
465	poVal = G2G.ValidatedTxtCtrl(DData,POData,1,nDig=(10,3),typeHint=float,xmin=0.)
466	poSizer.Add(poVal,0,WACV)
467	poSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Unique axis, H K L: '),0,WACV)
468	h,k,l =POData[3]
469	poAxis = wx.TextCtrl(DData,wx.ID_ANY,'%3d %3d %3d'%(h,k,l),style=wx.TE_PROCESS_ENTER)
470	poAxis.Bind(wx.EVT_TEXT_ENTER,OnPOAxis)
471	poAxis.Bind(wx.EVT_KILL_FOCUS,OnPOAxis)
472	poSizer.Add(poAxis,0,WACV)
473	return poSizer
474
475	def SHDataSizer(POData):
476
477	ODFSizer = wx.FlexGridSizer(0,8,2,2)
478	ODFkeys = list(POData[5].keys())
479	ODFkeys.sort()
480	for odf in ODFkeys:
481	ODFSizer.Add(wx.StaticText(DData,wx.ID_ANY,odf),0,WACV)
482	ODFval = G2G.ValidatedTxtCtrl(DData,POData[5],odf,nDig=(8,3),typeHint=float,OnLeave=OnNewValue)
483	ODFSizer.Add(ODFval,0,WACV\|wx.LEFT,5)
484	return ODFSizer
485
486	def SHPenalty(POData):
487
488	def OnHKLList(event):
489	dlg = G2G.G2MultiChoiceDialog(G2frame, 'Select penalty hkls',
490	'Penalty hkls',hkls,filterBox=False)
491	try:
492	if dlg.ShowModal() == wx.ID_OK:
493	POData[6] = [hkls[i] for i in dlg.GetSelections()]
494	if not POData[6]:
495	POData[6] = ['',]
496	else:
497	return
498	finally:
499	dlg.Destroy()
500	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
501
502	A = G2lat.cell2A(generalData['Cell'][1:7])
503	hkls = G2lat.GenPfHKLs(10,SGData,A)
504	shPenalty = wx.BoxSizer(wx.HORIZONTAL)
505	shPenalty.Add(wx.StaticText(DData,wx.ID_ANY,' Negative MRD penalty list: '),0,WACV)
506	shPenalty.Add(wx.ComboBox(DData,value=POData[6][0],choices=POData[6],
507	style=wx.CB_DROPDOWN),0,WACV\|wx.LEFT,5)
508	hklList = wx.Button(DData,label='Select penalty hkls')
509	hklList.Bind(wx.EVT_BUTTON,OnHKLList)
510	shPenalty.Add(hklList,0,WACV)
511	shPenalty.Add(wx.StaticText(DData,wx.ID_ANY,' Zero MRD tolerance: '),0,WACV)
512	shToler = G2G.ValidatedTxtCtrl(DData,POData,7,nDig=(10,2),typeHint=float)
513	shPenalty.Add(shToler,0,WACV)
514	return shPenalty
515
516	def ExtSizer(Type):
517
518	def OnSCExtType(event):
519	Obj = event.GetEventObject()
520	item = Indx[Obj.GetId()]
521	UseList[item[0]]['Extinction'][item[1]] = Obj.GetValue()
522	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
523
524	def OnEref(event):
525	Obj = event.GetEventObject()
526	item = Indx[Obj.GetId()]
527	UseList[item[0]]['Extinction'][2][item[1]][1] = Obj.GetValue()
528
529	def OnExtRef(event):
530	Obj = event.GetEventObject()
531	UseList[G2frame.hist]['Extinction'][1] = Obj.GetValue()
532
533	if Type == 'HKLF':
534	extSizer = wx.BoxSizer(wx.VERTICAL)
535	typeSizer = wx.BoxSizer(wx.HORIZONTAL)
536	typeSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Extinction type: '),0,WACV)
537	Choices = ['None','Primary','Secondary Type I','Secondary Type II',] # remove 'Secondary Type I & II'
538	typeTxt = wx.ComboBox(DData,wx.ID_ANY,choices=Choices,value=UseList[G2frame.hist]['Extinction'][1],
539	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
540	Indx[typeTxt.GetId()] = [G2frame.hist,1]
541	typeTxt.Bind(wx.EVT_COMBOBOX,OnSCExtType)
542	typeSizer.Add(typeTxt)
543	typeSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Approx: '),0,WACV)
544	Choices=['Lorentzian','Gaussian']
545	approxTxT = wx.ComboBox(DData,wx.ID_ANY,choices=Choices,value=UseList[G2frame.hist]['Extinction'][0],
546	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
547	Indx[approxTxT.GetId()] = [G2frame.hist,0]
548	approxTxT.Bind(wx.EVT_COMBOBOX,OnSCExtType)
549	typeSizer.Add(approxTxT)
550	if UseList[G2frame.hist]['Extinction'][1] == 'None':
551	extSizer.Add(typeSizer,0)
552	else:
553	extSizer.Add(typeSizer,0,wx.BOTTOM,5)
554	if 'Tbar' in UseList[G2frame.hist]['Extinction'][2]: #skipped for TOF
555	valSizer =wx.BoxSizer(wx.HORIZONTAL)
556	valSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Tbar(mm):'),0,WACV)
557	tbarVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Extinction'][2],'Tbar',
558	xmin=0.,nDig=(10,3),typeHint=float)
559	valSizer.Add(tbarVal,0,WACV)
560	valSizer.Add(wx.StaticText(DData,wx.ID_ANY,' cos(2ThM):'),0,WACV)
561	cos2tm = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Extinction'][2],'Cos2TM',
562	xmin=0.,xmax=1.,nDig=(10,3),typeHint=float)
563	valSizer.Add(cos2tm,0,WACV)
564	extSizer.Add(valSizer,0)
565	val2Sizer =wx.BoxSizer(wx.HORIZONTAL)
566	if 'Primary' in UseList[G2frame.hist]['Extinction'][1]:
567	Ekey = ['Ep',]
568	elif 'Secondary Type II' == UseList[G2frame.hist]['Extinction'][1]:
569	Ekey = ['Es',]
570	elif 'Secondary Type I' == UseList[G2frame.hist]['Extinction'][1]:
571	Ekey = ['Eg',]
572	else:
573	Ekey = ['Eg','Es']
574	for ekey in Ekey:
575	Eref = wx.CheckBox(DData,wx.ID_ANY,label=ekey+' : ')
576	Eref.SetValue(UseList[G2frame.hist]['Extinction'][2][ekey][1])
577	Indx[Eref.GetId()] = [G2frame.hist,ekey]
578	Eref.Bind(wx.EVT_CHECKBOX, OnEref)
579	val2Sizer.Add(Eref,0,WACV\|wx.LEFT,5)
580	Eval = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Extinction'][2][ekey],0,
581	xmin=0.,nDig=(10,3,'g'),typeHint=float)
582	val2Sizer.Add(Eval,0,WACV)
583	extSizer.Add(val2Sizer,0)
584	else: #PWDR
585	extSizer = wx.BoxSizer(wx.HORIZONTAL)
586	extRef = wx.CheckBox(DData,wx.ID_ANY,label=' Extinction: ')
587	extRef.SetValue(UseList[G2frame.hist]['Extinction'][1])
588	extRef.Bind(wx.EVT_CHECKBOX, OnExtRef)
589	extSizer.Add(extRef,0,WACV\|wx.LEFT,5)
590	extVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Extinction'],0,
591	xmin=0.,nDig=(10,2),typeHint=float)
592	extSizer.Add(extVal,0,WACV)
593
594	return extSizer
595
596	def BabSizer():
597
598	def OnBabRef(event):
599	Obj = event.GetEventObject()
600	item,bab = Indx[Obj.GetId()]
601	UseList[item]['Babinet']['Bab'+bab][1] = Obj.GetValue()
602
603	babSizer = wx.BoxSizer(wx.HORIZONTAL)
604	for bab in ['A','U']:
605	babRef = wx.CheckBox(DData,wx.ID_ANY,label=' Babinet '+bab+': ')
606	babRef.SetValue(UseList[G2frame.hist]['Babinet']['Bab'+bab][1])
607	Indx[babRef.GetId()] = [G2frame.hist,bab]
608	babRef.Bind(wx.EVT_CHECKBOX, OnBabRef)
609	babSizer.Add(babRef,0,WACV\|wx.LEFT,5)
610	babVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Babinet']['Bab'+bab],0,
611	nDig=(10,3),xmin=0.,typeHint=float)
612	babSizer.Add(babVal,0,WACV)
613	return babSizer
614
615	def FlackSizer():
616
617	def OnFlackRef(event):
618	Obj = event.GetEventObject()
619	UseList[G2frame.hist]['Flack'][1] = Obj.GetValue()
620
621	flackSizer = wx.BoxSizer(wx.HORIZONTAL)
622	flackRef = wx.CheckBox(DData,wx.ID_ANY,label=' Flack parameter: ')
623	flackRef.SetValue(UseList[G2frame.hist]['Flack'][1])
624	flackRef.Bind(wx.EVT_CHECKBOX, OnFlackRef)
625	flackSizer.Add(flackRef,0,WACV\|wx.LEFT,5)
626	flackVal = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Flack'],0,nDig=(10,3),typeHint=float)
627	flackSizer.Add(flackVal,0,WACV)
628	return flackSizer
629
630	def DispSizer():
631
632	def OnDispRef(event):
633	Obj = event.GetEventObject()
634	UseList[G2frame.hist]['Layer Disp'][1] = Obj.GetValue()
635
636	dispSizer = wx.BoxSizer(wx.HORIZONTAL)
637	dispRef = wx.CheckBox(DData,wx.ID_ANY,label=u' Layer displacement (\xb5m): ')
638	dispRef.SetValue(UseList[G2frame.hist]['Layer Disp'][1])
639	dispRef.Bind(wx.EVT_CHECKBOX, OnDispRef)
640	dispSizer.Add(dispRef,0,WACV\|wx.LEFT,5)
641	dispSizer.Add(G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Layer Disp'],0,nDig=(10,2),typeHint=float),0,WACV)
642	return dispSizer
643
644	def twinSizer():
645
646	def OnAddTwin(event):
647	twinMat = np.array([[-1,0,0],[0,-1,0],[0,0,-1]]) #inversion by default
648	twinVal = 0.0
649	UseList[G2frame.hist]['Twins'].append([twinMat,twinVal])
650	nNonM = UseList[G2frame.hist]['Twins'][0][1][2]
651	for i in range(nNonM):
652	UseList[G2frame.hist]['Twins'].append([False,0.0])
653	addtwin.SetValue(False)
654	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
655
656	def OnMat(event):
657	event.Skip()
658	Obj = event.GetEventObject()
659	it,im = Indx[Obj.GetId()]
660	newMat = Obj.GetValue().split()
661	try:
662	uvw = [int(newMat[i]) for i in range(3)]
663	except ValueError:
664	uvw = UseList[G2frame.hist]['Twins'][it][0][im]
665	UseList[G2frame.hist]['Twins'][it][0][im] = uvw
666	Obj.SetValue('%3d %3d %3d'%(uvw[0],uvw[1],uvw[2]))
667
668	def OnTwinVal(invalid,value,tc):
669	it = Indx[tc.GetId()]
670	sumTw = 0.
671	for it,twin in enumerate(UseList[G2frame.hist]['Twins']):
672	if it:
673	sumTw += twin[1]
674	UseList[G2frame.hist]['Twins'][0][1][0] = 1.-sumTw
675	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
676
677	def OnTwinRef(event):
678	Obj = event.GetEventObject()
679	UseList[G2frame.hist]['Twins'][0][1][1] = Obj.GetValue()
680
681	def OnTwinInv(event):
682	Obj = event.GetEventObject()
683	it = Indx[Obj.GetId()]
684	UseList[G2frame.hist]['Twins'][it][0] = Obj.GetValue()
685
686	def OnTwinDel(event):
687	Obj = event.GetEventObject()
688	it = Indx[Obj.GetId()]
689	nNonM = UseList[G2frame.hist]['Twins'][0][1][2]
690	for i in range(nNonM):
691	del UseList[G2frame.hist]['Twins'][1+i+it]
692	del UseList[G2frame.hist]['Twins'][it]
693	sumTw = 0.
694	for it,twin in enumerate(UseList[G2frame.hist]['Twins']):
695	if it:
696	sumTw += twin[1]
697	UseList[G2frame.hist]['Twins'][0][1][0] = 1.-sumTw
698	if len(UseList[G2frame.hist]['Twins']) == 1:
699	UseList[G2frame.hist]['Twins'][0][1][1] = False
700	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
701
702	nTwin = len(UseList[G2frame.hist]['Twins'])
703	twinsizer = wx.BoxSizer(wx.VERTICAL)
704	topsizer = wx.BoxSizer(wx.HORIZONTAL)
705	topsizer.Add(wx.StaticText(DData,wx.ID_ANY,' Merohedral twins: '),0,WACV)
706	#temporary - add twin not allowed if nonmerohedral twins present
707	# if nTwin == 1 or 'bool' not in str(type(UseList[G2frame.hist]['Twins'][1][0])):
708	addtwin = wx.CheckBox(DData,wx.ID_ANY,label=' Add Twin Law')
709	addtwin.Bind(wx.EVT_CHECKBOX, OnAddTwin)
710	topsizer.Add(addtwin,0,WACV\|wx.LEFT,5)
711	twinsizer.Add(topsizer)
712	Indx = {}
713	if nTwin > 1:
714	for it,Twin in enumerate(UseList[G2frame.hist]['Twins']):
715	twinMat,twinVal = Twin
716	matSizer = wx.BoxSizer(wx.HORIZONTAL)
717	if it:
718	Style = wx.TE_PROCESS_ENTER
719	TwVal = Twin[1]
720	else:
721	Style = wx.TE_READONLY
722	TwVal = Twin[1][0]
723	if 'bool' not in str(type(Twin[0])):
724	matSizer.Add(wx.StaticText(DData,-1,' Twin Law: '),0,WACV\|wx.LEFT,5)
725	for im,Mat in enumerate(twinMat):
726	mat = wx.TextCtrl(DData,wx.ID_ANY,'%3d %3d %3d'%(Mat[0],Mat[1],Mat[2]),
727	style=Style)
728	if it:
729	Indx[mat.GetId()] = [it,im]
730	mat.Bind(wx.EVT_TEXT_ENTER,OnMat)
731	mat.Bind(wx.EVT_KILL_FOCUS,OnMat)
732	else:
733	mat.SetBackgroundColour(VERY_LIGHT_GREY)
734	matSizer.Add(mat,0,WACV\|wx.LEFT,5)
735	else:
736	matSizer.Add(wx.StaticText(DData,-1,' Nonmerohedral twin component %d: '%(it)),0,WACV\|wx.LEFT,5)
737	if not SGData['SGInv']:
738	twinv = wx.CheckBox(DData,wx.ID_ANY,label=' Use enantiomorph?')
739	twinv.SetValue(Twin[0])
740	Indx[twinv.GetId()] = it
741	twinv.Bind(wx.EVT_CHECKBOX, OnTwinInv)
742	matSizer.Add(twinv,0,WACV)
743	twinsizer.Add(matSizer,0,wx.LEFT,5)
744	valSizer = wx.BoxSizer(wx.HORIZONTAL)
745	valSizer.Add(wx.StaticText(DData,-1,label=' Twin element fraction:'),0,WACV)
746	if it:
747	twinval = G2G.ValidatedTxtCtrl(DData,UseList[G2frame.hist]['Twins'][it],1,nDig=(10,3),
748	xmin=0.,xmax=1.,typeHint=float,OnLeave=OnTwinVal)
749	Indx[twinval.GetId()] = it
750	else:
751	twinval = wx.TextCtrl(DData,-1,'%.3f'%(TwVal),style=Style)
752	twinval.SetBackgroundColour(VERY_LIGHT_GREY)
753	valSizer.Add(twinval,0,WACV)
754	if it and 'bool' not in str(type(Twin[0])):
755	twindel = wx.CheckBox(DData,wx.ID_ANY,label=' Delete?')
756	Indx[twindel.GetId()] = it
757	twindel.Bind(wx.EVT_CHECKBOX, OnTwinDel)
758	valSizer.Add(twindel,0,WACV)
759	elif not it:
760	twinref = wx.CheckBox(DData,wx.ID_ANY,label=' Refine?')
761	twinref.SetValue(Twin[1][1])
762	twinref.Bind(wx.EVT_CHECKBOX, OnTwinRef)
763	valSizer.Add(twinref,0,WACV)
764	twinsizer.Add(valSizer,0,wx.LEFT,5)
765	return twinsizer
766
767	def OnSelect(event):
768	G2frame.hist = G2frame.dataWindow.HistsInPhase[DData.select.GetSelection()]
769	oldFocus = wx.Window.FindFocus()
770	G2plt.PlotSizeStrainPO(G2frame,data,G2frame.hist)
771	wx.CallLater(100,RepaintHistogramInfo)
772	if oldFocus: wx.CallAfter(oldFocus.SetFocus)
773
774	def RepaintHistogramInfo(Scroll=0):
775	if 'phoenix' in wx.version():
776	G2frame.bottomSizer.Clear(True)
777	# deal with case where this is called after another tree item has been selected
778	try:
779	DData.Shown
780	except RuntimeError:
781	if GSASIIpath.GetConfigValue('debug'):
782	print('DBG: DData window deleted. Ignoring RepaintHistogramInfo, forcing redraw')
783	# Repaint called while DData window deleted, force redraw of entire window
784	import GSASIIdataGUI
785	G2frame.PickIdText = ''
786	wx.CallLater(100,GSASIIdataGUI.SelectDataTreeItem,G2frame,G2frame.GPXtree.Selection)
787	return
788	else:
789	# deal with case where this is called after another tree item has been selected
790	if DData.__class__ is not wx._windows.ScrolledWindow:
791	# fix bug where this is called after the Window is deleted
792	return
793	G2frame.bottomSizer.DeleteWindows()
794	Indx.clear()
795	G2frame.bottomSizer = ShowHistogramInfo()
796	mainSizer.Add(G2frame.bottomSizer)
797	mainSizer.Layout()
798	G2frame.dataWindow.Refresh()
799	DData.SetVirtualSize(mainSizer.GetMinSize())
800	DData.Scroll(0,Scroll)
801	G2frame.dataWindow.SendSizeEvent()
802
803	def ShowHistogramInfo():
804	'''This creates a sizer with all the information pulled out from the Phase/data dict
805	'''
806
807	def OnUseData(event):
808	Obj = event.GetEventObject()
809	UseList[G2frame.hist]['Use'] = Obj.GetValue()
810	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
811
812	def OnLeBail(event):
813	Obj = event.GetEventObject()
814	if not UseList[G2frame.hist]['LeBail']:
815	UseList[G2frame.hist]['newLeBail'] = True
816	Obj.SetLabel('Do new LeBail extraction?')
817	UseList[G2frame.hist]['LeBail'] = Obj.GetValue()
818
819	def OnResetSize(event):
820	Obj = event.GetEventObject()
821	item,name = Indx[Obj.GetId()]
822	if name == 'isotropic':
823	UseList[item]['Size'][1][0] = 1.0
824	elif name == 'uniaxial':
825	UseList[item]['Size'][1][0] = 1.0
826	UseList[item]['Size'][1][1] = 1.0
827	elif name == 'ellipsoidal':
828	for i in range(3):
829	UseList[item]['Size'][4][i] = 1.0
830	UseList[item]['Size'][4][i+3] = 0.0
831	G2plt.PlotSizeStrainPO(G2frame,data,item)
832	wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
833
834	def OnSizeAxis(event):
835	event.Skip()
836	Obj = event.GetEventObject()
837	Saxis = Obj.GetValue().split()
838	try:
839	hkl = [int(Saxis[i]) for i in range(3)]
840	except (ValueError,IndexError):
841	hkl = UseList[G2frame.hist]['Size'][3]
842	if not np.any(np.array(hkl)):
843	hkl = UseList[G2frame.hist]['Size'][3]
844	UseList[G2frame.hist]['Size'][3] = hkl
845	h,k,l = hkl
846	Obj.SetValue('%3d %3d %3d'%(h,k,l))
847
848	def OnFixVals(event):
849	Obj = event.GetEventObject()
850	UseList[G2frame.hist]['Fix FXU'] = Obj.GetValue()
851
852	if G2frame.hist not in UseList:
853	G2frame.ErrorDialog('Missing data error',
854	G2frame.hist+' not in GSAS-II data tree')
855	return
856	#patch
857	if 'Use' not in UseList[G2frame.hist]:
858	UseList[G2frame.hist]['Use'] = True
859	if 'LeBail' not in UseList[G2frame.hist]:
860	UseList[G2frame.hist]['LeBail'] = False
861	if 'newLeBail' not in UseList[G2frame.hist]:
862	UseList[G2frame.hist]['newLeBail'] = True
863	if 'Babinet' not in UseList[G2frame.hist]:
864	UseList[G2frame.hist]['Babinet'] = {'BabA':[0.0,False],'BabU':[0.0,False]}
865	if 'Fix FXU' not in UseList[G2frame.hist]:
866	UseList[G2frame.hist]['Fix FXU'] = ' '
867	if 'Flack' not in UseList[G2frame.hist]:
868	UseList[G2frame.hist]['Flack'] = [0.0,False]
869	if 'Twins' not in UseList[G2frame.hist]:
870	UseList[G2frame.hist]['Twins'] = [[np.array([[1,0,0],[0,1,0],[0,0,1]]),[1.0,False]],]
871	if 'Layer Disp' not in UseList[G2frame.hist]:
872	UseList[G2frame.hist]['Layer Disp'] = [0.0,False]
873	#end patch
874	bottomSizer = wx.BoxSizer(wx.VERTICAL)
875	useBox = wx.BoxSizer(wx.HORIZONTAL)
876	useData = wx.CheckBox(DData,wx.ID_ANY,label='Use Histogram: '+G2frame.hist+' ?')
877	useData.Bind(wx.EVT_CHECKBOX, OnUseData)
878	useData.SetValue(UseList[G2frame.hist]['Use'])
879	useBox.Add(useData,0,WACV)
880	if not generalData['doPawley'] and 'PWDR' in G2frame.hist[:4]:
881	lbLabel = 'Redo LeBail extraction? '
882	if UseList[G2frame.hist]['newLeBail']:
883	lbLabel = 'Do new LeBail extraction?'
884	lebail = wx.CheckBox(DData,wx.ID_ANY,label=lbLabel)
885	lebail.Bind(wx.EVT_CHECKBOX, OnLeBail)
886	lebail.SetValue(UseList[G2frame.hist]['LeBail'])
887	useBox.Add(lebail,0,WACV)
888	if UseList[G2frame.hist]['LeBail']:
889	G2frame.SetStatusText('To reset LeBail, cycle LeBail check box.',1)
890	bottomSizer.Add(useBox,0,wx.TOP\|wx.BOTTOM\|wx.LEFT,5)
891	fixBox = wx.BoxSizer(wx.HORIZONTAL)
892	parmChoice = [' ','X','XU','U','F','FX','FXU','FU']
893	if generalData['Type'] == 'magnetic':
894	parmChoice += ['M','MX','MXU','MU','MF','MFX','MFXU','MFU']
895	fixBox.Add(wx.StaticText(DData,label=' In sequential refinement, fix these in '+generalData['Name']+' for this histogram: '),0,WACV)
896	fixVals = wx.ComboBox(DData,value=UseList[G2frame.hist]['Fix FXU'],choices=parmChoice,
897	style=wx.CB_DROPDOWN)
898	fixVals.Bind(wx.EVT_COMBOBOX,OnFixVals)
899	fixBox.Add(fixVals,0,WACV)
900	bottomSizer.Add(fixBox)
901	#TODO - put Sequential refinement fix F? fix X? fix U? CheckBox here
902
903	bottomSizer.Add(ScaleSizer(),0,wx.BOTTOM,5)
904
905	if G2frame.hist[:4] == 'PWDR':
906	if UseList[G2frame.hist]['Size'][0] == 'isotropic':
907	isoSizer = wx.BoxSizer(wx.HORIZONTAL)
908	isoSizer.Add(TopSizer(' Domain size model: ',['isotropic','uniaxial','ellipsoidal'],
909	'Size',OnSizeType),0,WACV)
910	isoSizer.Add(LGmixSizer('Size',[0.,1.],OnLGmixRef))
911	isoSizer.Add(ResetSizer('isotropic',OnResetSize),0,WACV)
912	bottomSizer.Add(isoSizer)
913	bottomSizer.Add(IsoSizer(u'size(\xb5m): ','Size',(10,4),[0.,4.],OnSizeRef),0,wx.BOTTOM,5)
914	elif UseList[G2frame.hist]['Size'][0] == 'uniaxial':
915	uniSizer = wx.BoxSizer(wx.HORIZONTAL)
916	uniSizer.Add(TopSizer(' Domain size model: ',['isotropic','uniaxial','ellipsoidal'],
917	'Size',OnSizeType),0,WACV)
918	uniSizer.Add(LGmixSizer('Size',[0.,1.],OnLGmixRef))
919	uniSizer.Add(ResetSizer('uniaxial',OnResetSize),0,WACV)
920	bottomSizer.Add(UniSizer('Size',OnSizeAxis),0)
921	bottomSizer.Add(uniSizer)
922	bottomSizer.Add(UniDataSizer(u'size(\xb5m): ','Size',(10,3),[0.,4.],OnSizeRef),0,wx.BOTTOM,5)
923	elif UseList[G2frame.hist]['Size'][0] == 'ellipsoidal':
924	ellSizer = wx.BoxSizer(wx.HORIZONTAL)
925	ellSizer.Add(TopSizer(' Domain size model: ',['isotropic','uniaxial','ellipsoidal'],
926	'Size',OnSizeType),0,WACV)
927	ellSizer.Add(LGmixSizer('Size',[0.,1.],OnLGmixRef))
928	ellSizer.Add(ResetSizer('ellipsoidal',OnResetSize),0,WACV)
929	bottomSizer.Add(ellSizer)
930	bottomSizer.Add(EllSizeDataSizer(),0,wx.BOTTOM,5)
931
932	if UseList[G2frame.hist]['Mustrain'][0] == 'isotropic':
933	isoSizer = wx.BoxSizer(wx.HORIZONTAL)
934	isoSizer.Add(TopSizer(' Mustrain model: ',['isotropic','uniaxial','generalized',],
935	'Mustrain',OnStrainType),0,WACV)
936	isoSizer.Add(LGmixSizer('Mustrain',[0.,1.],OnLGmixRef))
937	isoSizer.Add(ResetSizer('isotropic',OnResetStrain),0,WACV)
938	bottomSizer.Add(isoSizer)
939	bottomSizer.Add(IsoSizer(' microstrain: ','Mustrain',(10,1),[0.,1.e5],OnStrainRef),0,wx.BOTTOM,5)
940	elif UseList[G2frame.hist]['Mustrain'][0] == 'uniaxial':
941	uniSizer = wx.BoxSizer(wx.HORIZONTAL)
942	uniSizer.Add(TopSizer(' Mustrain model: ',['isotropic','uniaxial','generalized',],
943	'Mustrain',OnStrainType),0,WACV)
944	uniSizer.Add(LGmixSizer('Mustrain',[0.,1.],OnLGmixRef))
945	uniSizer.Add(ResetSizer('uniaxial',OnResetStrain),0,WACV)
946	bottomSizer.Add(uniSizer)
947	bottomSizer.Add(UniSizer('Mustrain',OnStrainAxis),0)
948	bottomSizer.Add(UniDataSizer('mustrain: ','Mustrain',(10,1),[0.,1.e5],OnStrainRef),0,wx.BOTTOM,5)
949	elif UseList[G2frame.hist]['Mustrain'][0] == 'generalized':
950	genSizer = wx.BoxSizer(wx.HORIZONTAL)
951	genSizer.Add(TopSizer(' Mustrain model: ',['isotropic','uniaxial','generalized',],
952	'Mustrain',OnStrainType),0,WACV)
953	genSizer.Add(LGmixSizer('Mustrain',[0.,1.],OnLGmixRef))
954	genSizer.Add(ResetSizer('generalized',OnResetStrain),0,WACV)
955	bottomSizer.Add(genSizer)
956	bottomSizer.Add(GenStrainDataSizer(),0,WACV\|wx.BOTTOM,5)
957
958	bottomSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Hydrostatic/elastic strain:'))
959	bottomSizer.Add(HstrainSizer())
960	bottomSizer.Add(DispSizer())
961
962	poSizer = wx.BoxSizer(wx.VERTICAL)
963	POData = UseList[G2frame.hist]['Pref.Ori.']
964	# patch - add penalty items
965	if len(POData) < 7:
966	POData.append(['',])
967	POData.append(0.1)
968	if not POData[6]:
969	POData[6] = ['',]
970	# end patch
971	poSizer.Add(PoTopSizer(POData))
972	if POData[0] == 'MD':
973	poSizer.Add(MDDataSizer(POData))
974	else: #'SH'
975	if POData[4]: #SH order > 0
976	textJ = G2lat.textureIndex(POData[5])
977	poSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Spherical harmonic coefficients: '+'Texture index: %.3f'%(textJ))
978	,0,WACV\|wx.TOP\|wx.BOTTOM,5)
979	poSizer.Add(SHDataSizer(POData),0,wx.TOP\|wx.BOTTOM,5)
980	poSizer.Add(SHPenalty(POData),0,wx.TOP\|wx.BOTTOM,5)
981
982	bottomSizer.Add(poSizer,0,wx.TOP\|wx.BOTTOM,5)
983	bottomSizer.Add(ExtSizer('PWDR'),0,wx.TOP\|wx.BOTTOM,5)
984	if generalData['Type'] != 'magnetic':
985	bottomSizer.Add(BabSizer(),0,wx.BOTTOM,5)
986	elif G2frame.hist[:4] == 'HKLF':
987	bottomSizer.Add(ExtSizer('HKLF'),0,wx.BOTTOM,5)
988	bottomSizer.Add(BabSizer(),0,wx.BOTTOM,5)
989	if not SGData['SGInv'] and len(UseList[G2frame.hist]['Twins']) < 2:
990	bottomSizer.Add(FlackSizer(),0,wx.BOTTOM,5)
991	bottomSizer.Add(twinSizer(),0,wx.BOTTOM,5)
992	return bottomSizer
993
994	######################################################################
995	### Beginning of UpdateDData execution here
996	######################################################################
997	G2frame.SetStatusText('',1)
998	keyList = G2frame.GetHistogramNames(['PWDR','HKLF'])
999	UseList = data['Histograms']
1000	if UseList:
1001	G2frame.dataWindow.DataMenu.Enable(G2G.wxID_DATADELETE,True)
1002	for item in G2frame.Refine: item.Enable(True)
1003	else:
1004	G2frame.dataWindow.DataMenu.Enable(G2G.wxID_DATADELETE,False)
1005	for item in G2frame.Refine: item.Enable(False)
1006	# make a list of histograms (any type) used in this phase, ordered as in tree
1007	G2frame.dataWindow.HistsInPhase = [name for name in keyList if name in UseList]
1008	generalData = data['General']
1009	cell = generalData['Cell'][1:]
1010	Amat,Bmat = G2lat.cell2AB(cell[:6])
1011	PhaseName = generalData['Name']
1012	SGData = generalData['SGData']
1013	if len(G2frame.dataWindow.HistsInPhase) == 0: # no associated histograms, nothing to display here
1014	G2frame.hist = ''
1015	elif hist and hist in G2frame.dataWindow.HistsInPhase: # something was input as a selection as an argument
1016	G2frame.hist = hist
1017	elif (not G2frame.hist) or (G2frame.hist not in G2frame.dataWindow.HistsInPhase): # no or bad selection but have data, take the first
1018	G2frame.hist = G2frame.dataWindow.HistsInPhase[0]
1019	Indx = {}
1020
1021	if DData.GetSizer():
1022	try:
1023	if hasattr(DData,'select'):
1024	DData.select.Unbind(wx.EVT_LISTBOX) # remove binding to avoid event on Linux
1025	except:
1026	pass
1027	DData.GetSizer().Clear(True)
1028	mainSizer = wx.BoxSizer(wx.VERTICAL)
1029	mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,' Histogram data for '+PhaseName+':'),0,wx.LEFT,5)
1030	if G2frame.hist:
1031	topSizer = wx.FlexGridSizer(1,2,5,5)
1032	DData.select = wx.ListBox(DData,choices=G2frame.dataWindow.HistsInPhase,
1033	style=wx.LB_SINGLE,size=(-1,160))
1034	DData.select.SetSelection(G2frame.dataWindow.HistsInPhase.index(G2frame.hist))
1035	DData.select.SetFirstItem(G2frame.dataWindow.HistsInPhase.index(G2frame.hist))
1036	DData.select.Bind(wx.EVT_LISTBOX,OnSelect)
1037	topSizer.Add(DData.select,0,WACV\|wx.LEFT,5)
1038	if any(['PWDR' in item for item in keyList]):
1039	topSizer.Add(PlotSizer())
1040	mainSizer.Add(topSizer)
1041	G2frame.bottomSizer = ShowHistogramInfo()
1042	mainSizer.Add(G2frame.bottomSizer)
1043	elif not keyList:
1044	mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,
1045	' (This project has no data; use Import to read it)'),0,wx.TOP,10)
1046	elif not UseList in G2frame.dataWindow.HistsInPhase:
1047	mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,
1048	' (This phase has no associated data; use appropriate Edit/Add... menu item)'),0,wx.TOP,10)
1049	else:
1050	mainSizer.Add(wx.StaticText(DData,wx.ID_ANY,' (Strange, how did we get here?)'),0,wx.TOP,10)
1051
1052	G2phG.SetPhaseWindow(DData,mainSizer,Scroll=Scroll)

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