Context Navigation

source: trunk/GSASIIgrid.py @ 408

Last change on this file since 408 was 408, checked in by vondreele, 12 years ago
add copy to limits menu more constraint GUI stuff
Property svn:keywords set to `Date Author Revision URL Id`
File size: 64.7 KB

Line
1	#GSASII - data display routines
2	########### SVN repository information ###################
3	# $Date: 2011-11-07 21:13:29 +0000 (Mon, 07 Nov 2011) $
4	# $Author: vondreele $
5	# $Revision: 408 $
6	# $URL: trunk/GSASIIgrid.py $
7	# $Id: GSASIIgrid.py 408 2011-11-07 21:13:29Z vondreele $
8	########### SVN repository information ###################
9	import wx
10	import wx.grid as wg
11	import time
12	import cPickle
13	import numpy as np
14	import GSASIIpath
15	import GSASIIplot as G2plt
16	import GSASIIpwdGUI as G2pdG
17	import GSASIIimgGUI as G2imG
18	import GSASIIphsGUI as G2phG
19	import GSASIIstruct as G2str
20	import GSASIImapvars as G2mv
21
22	[ wxID_ATOMSEDITADD, wxID_ATOMSEDITINSERT, wxID_ATOMSEDITDELETE, wxID_ATOMSREFINE,
23	wxID_ATOMSMODIFY, wxID_ATOMSTRANSFORM, wxID_ATOMSTESTADD, wxID_ATONTESTINSERT,
24	wxID_RELOADDRAWATOMS,
25	] = [wx.NewId() for _init_coll_Atom_Items in range(9)]
26
27	[ wxID_PWDRADD, wxID_HKLFADD, wxID_DATADELETE,
28	] = [wx.NewId() for _init_coll_Data_Items in range(3)]
29
30	[ wxID_DRAWATOMSTYLE, wxID_DRAWATOMLABEL, wxID_DRAWATOMCOLOR, wxID_DRAWATOMRESETCOLOR,
31	wxID_DRAWVIEWPOINT, wxID_DRAWTRANSFORM, wxID_DRAWDELETE, wxID_DRAWFILLCELL,
32	wxID_DRAWADDEQUIV, wxID_DRAWFILLCOORD,
33	] = [wx.NewId() for _init_coll_DrawAtom_Items in range(10)]
34
35	[ wxID_IMCALIBRATE,wxID_IMRECALIBRATE,wxID_IMINTEGRATE, wxID_IMCLEARCALIB,
36	wxID_IMCOPYCONTROLS, wxID_INTEGRATEALL, wxID_IMSAVECONTROLS, wxID_IMLOADCONTROLS,
37	] = [wx.NewId() for _init_coll_IMAGE_Items in range(8)]
38
39	[ wxID_MASKCOPY, wxID_MASKSAVE, wxID_MASKLOAD,
40	] = [wx.NewId() for _init_coll_MASK_Items in range(3)]
41
42	[ wxID_PAWLEYLOAD, wxID_PAWLEYIMPORT, wxID_PAWLEYDELETE, wxID_PAWLEYESTIMATE,
43	] = [wx.NewId() for _init_coll_PAWLEY_Items in range(4)]
44
45	[ wxID_INSTPRMRESET,wxID_CHANGEWAVETYPE,wxID_INSTCOPY,
46	] = [wx.NewId() for _init_coll_INST_Items in range(3)]
47
48	[ wxID_INDXRELOAD,
49	] = [wx.NewId() for _init_coll_IndPeaks_Items in range(1)]
50
51	[ wxID_UNDO,wxID_LSQPEAKFIT,wxID_LSQONECYCLE,wxID_RESETSIGGAM,wxID_CLEARPEAKS,
52	] = [wx.NewId() for _init_coll_PEAK_Items in range(5)]
53
54	[ wxID_INDEXPEAKS, wxID_REFINECELL, wxID_COPYCELL, wxID_MAKENEWPHASE,
55	] = [wx.NewId() for _init_coll_INDEX_Items in range(4)]
56
57	[ wxID_BACKCOPY,
58	] = [wx.NewId() for _init_coll_Back_Items in range(1)]
59
60	[ wxID_LIMITCOPY,
61	] = [wx.NewId() for _init_coll_Limit_Items in range(1)]
62
63	[ wxID_SAMPLECOPY,
64	] = [wx.NewId() for _init_coll_Sample_Items in range(1)]
65
66	[ wxID_CONSTRAINTADD,wxID_EQUIVADD,wxID_HOLDADD,wxID_FUNCTADD,
67	] = [wx.NewId() for _init_coll_Constraint_Items in range(4)]
68
69	[ wxID_RESTRAINTADD,
70	] = [wx.NewId() for _init_coll_Restraint_Items in range(1)]
71
72	[ wxID_SELECTPHASE,
73	] = [wx.NewId() for _init_coll_Refl_Items in range(1)]
74
75	[ wxID_CLEARTEXTURE,
76	] = [wx.NewId() for _init_coll_Texture_Items in range(1)]
77
78	[ wxID_PDFCOPYCONTROLS, wxID_PDFSAVECONTROLS, wxID_PDFLOADCONTROLS,
79	wxID_PDFCOMPUTE, wxID_PDFCOMPUTEALL, wxID_PDFADDELEMENT, wxID_PDFDELELEMENT,
80	] = [wx.NewId() for _init_coll_PDF_Items in range(7)]
81
82	VERY_LIGHT_GREY = wx.Colour(235,235,235)
83
84	class DataFrame(wx.Frame):
85	def _init_coll_BlankMenu(self,parent):
86	parent.Append(menu=self.Blank,title='')
87
88	def _init_coll_AtomsMenu(self,parent):
89	parent.Append(menu=self.AtomEdit, title='Edit')
90
91	def _init_coll_ConstraintMenu(self,parent):
92	parent.Append(menu=self.ConstraintEdit, title='Edit')
93
94	def _init_coll_RestraintMenu(self,parent):
95	parent.Append(menu=self.RestraintEdit, title='Edit')
96
97	def _init_coll_DataMenu(self,parent):
98	parent.Append(menu=self.DataEdit, title='Edit')
99
100	def _init_coll_DrawAtomsMenu(self,parent):
101	parent.Append(menu=self.DrawAtomEdit, title='Edit')
102
103	def _init_coll_PawleyMenu(self,parent):
104	parent.Append(menu=self.PawleyEdit,title='Operations')
105
106	def _init_coll_IndPeaksMenu(self,parent):
107	parent.Append(menu=self.IndPeaksEdit,title='Operations')
108
109	def _init_coll_ImageMenu(self,parent):
110	parent.Append(menu=self.ImageEdit, title='Operations')
111
112	def _init_coll_BackMenu(self,parent):
113	parent.Append(menu=self.BackEdit, title='File')
114
115	def _init_coll_LimitMenu(self,parent):
116	parent.Append(menu=self.LimitEdit, title='File')
117
118	def _init_coll_InstMenu(self,parent):
119	parent.Append(menu=self.InstEdit, title='Operations')
120
121	def _init_coll_MaskMenu(self,parent):
122	parent.Append(menu=self.MaskEdit, title='Operations')
123
124	def _init_coll_SampleMenu(self,parent):
125	parent.Append(menu=self.SampleEdit, title='File')
126
127	def _init_coll_PeakMenu(self,parent):
128	parent.Append(menu=self.PeakEdit, title='Peak Fitting')
129
130	def _init_coll_IndexMenu(self,parent):
131	parent.Append(menu=self.IndexEdit, title='Cell Index/Refine')
132
133	def _init_coll_ReflMenu(self,parent):
134	parent.Append(menu=self.ReflEdit, title='Reflection List')
135
136	def _init_coll_TextureMenu(self,parent):
137	parent.Append(menu=self.TextureEdit, title='Texture')
138
139	def _init_coll_PDFMenu(self,parent):
140	parent.Append(menu=self.PDFEdit, title='PDF Controls')
141
142	def _init_coll_Atom_Items(self,parent):
143	parent.Append(id=wxID_ATOMSEDITADD, kind=wx.ITEM_NORMAL,text='Append atom',
144	help='Inserted as an H atom')
145	parent.Append(id=wxID_ATOMSTESTADD, kind=wx.ITEM_NORMAL,text='Append test point',
146	help='Inserted as an H atom')
147	parent.Append(id=wxID_ATOMSEDITINSERT, kind=wx.ITEM_NORMAL,text='Insert atom',
148	help='Select atom row to insert before; inserted as an H atom')
149	parent.Append(id=wxID_ATONTESTINSERT, kind=wx.ITEM_NORMAL,text='Insert test point',
150	help='Select atom row to insert before; inserted as an H atom')
151	parent.Append(id=wxID_ATOMSEDITDELETE, kind=wx.ITEM_NORMAL,text='Delete atom',
152	help='Select atoms to delete first')
153	parent.Append(id=wxID_ATOMSREFINE, kind=wx.ITEM_NORMAL,text='Set atom refinement flags',
154	help='Select atoms to refine first')
155	parent.Append(id=wxID_ATOMSMODIFY, kind=wx.ITEM_NORMAL,text='Modify atom parameters',
156	help='Select atoms to modify first')
157	parent.Append(id=wxID_ATOMSTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
158	help='Select atoms to transform first')
159	parent.Append(id=wxID_RELOADDRAWATOMS, kind=wx.ITEM_NORMAL,text='Reload draw atoms',
160	help='Reload atom drawing list')
161
162	def _init_coll_Constraint_Items(self,parent):
163	parent.Append(id=wxID_HOLDADD, kind=wx.ITEM_NORMAL,text='Add hold',
164	help='Add hold on a parameter value')
165	parent.Append(id=wxID_EQUIVADD, kind=wx.ITEM_NORMAL,text='Add equivalence',
166	help='Add equivalence between parameter values')
167	parent.Append(id=wxID_CONSTRAINTADD, kind=wx.ITEM_NORMAL,text='Add constraint',
168	help='Add constraint on parameter values')
169	parent.Append(id=wxID_FUNCTADD, kind=wx.ITEM_NORMAL,text='Add function',
170	help='Add function of parameter values')
171
172	def _init_coll_Restraint_Items(self,parent):
173	parent.Append(id=wxID_RESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add restraint',
174	help='restraint dummy menu item')
175
176	def _init_coll_Sample_Items(self,parent):
177	parent.Append(id=wxID_SAMPLECOPY, kind=wx.ITEM_NORMAL,text='Copy',
178	help='Copy refinable sample parameters to other histograms')
179
180	def _init_coll_Back_Items(self,parent):
181	parent.Append(id=wxID_BACKCOPY, kind=wx.ITEM_NORMAL,text='Copy',
182	help='Copy background parameters to other histograms')
183
184	def _init_coll_Limit_Items(self,parent):
185	parent.Append(id=wxID_LIMITCOPY, kind=wx.ITEM_NORMAL,text='Copy',
186	help='Copy limits to other histograms')
187
188	def _init_coll_Data_Items(self,parent):
189	parent.Append(id=wxID_PWDRADD, kind=wx.ITEM_NORMAL,text='Add powder histograms',
190	help='Select new powder histograms to be used for this phase')
191	parent.Append(id=wxID_HKLFADD, kind=wx.ITEM_NORMAL,text='Add single crystal histograms',
192	help='Select new single crystal histograms to be used for this phase')
193	parent.Append(id=wxID_DATADELETE, kind=wx.ITEM_NORMAL,text='Delete histograms',
194	help='Delete histograms from use for this phase')
195
196	def _init_coll_Texture_Items(self,parent):
197	self.ClearPeaks = parent.Append(id=wxID_CLEARTEXTURE, kind=wx.ITEM_NORMAL,text='Clear texture',
198	help='Clear the texture coefficients' )
199
200	def _init_coll_DrawAtom_Items(self,parent):
201	parent.Append(id=wxID_DRAWATOMSTYLE, kind=wx.ITEM_NORMAL,text='Atom style',
202	help='Select atoms first')
203	parent.Append(id=wxID_DRAWATOMLABEL, kind=wx.ITEM_NORMAL,text='Atom label',
204	help='Select atoms first')
205	parent.Append(id=wxID_DRAWATOMCOLOR, kind=wx.ITEM_NORMAL,text='Atom color',
206	help='Select atoms first')
207	parent.Append(id=wxID_DRAWATOMRESETCOLOR, kind=wx.ITEM_NORMAL,text='Reset atom colors',
208	help='Resets all atom colors to defaults')
209	parent.Append(id=wxID_DRAWVIEWPOINT, kind=wx.ITEM_NORMAL,text='View point',
210	help='View point is 1st atom selected')
211	parent.Append(id=wxID_DRAWADDEQUIV, kind=wx.ITEM_NORMAL,text='Add atoms',
212	help='Add symmetry & cell equivalents to drawing set from selected atoms')
213	parent.Append(id=wxID_DRAWTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms',
214	help='Transform selected atoms by symmetry & cell translations')
215	parent.Append(id=wxID_DRAWFILLCOORD, kind=wx.ITEM_NORMAL,text='Fill CN-sphere',
216	help='Fill coordination sphere for selected atoms')
217	parent.Append(id=wxID_DRAWFILLCELL, kind=wx.ITEM_NORMAL,text='Fill unit cell',
218	help='Fill unit cell with selected atoms')
219	parent.Append(id=wxID_DRAWDELETE, kind=wx.ITEM_NORMAL,text='Delete atoms',
220	help='Delete atoms from drawing set')
221
222	def _init_coll_Pawley_Items(self,parent):
223	parent.Append(id=wxID_PAWLEYLOAD, kind=wx.ITEM_NORMAL,text='Pawley create',
224	help='Initialize Pawley reflection list')
225	# parent.Append(id=wxID_PAWLEYIMPORT, kind=wx.ITEM_NORMAL,text='Pawley import',
226	# help='Import Pawley reflection list')
227	parent.Append(id=wxID_PAWLEYESTIMATE, kind=wx.ITEM_NORMAL,text='Pawley estimate',
228	help='Estimate initial Pawley intensities')
229	parent.Append(id=wxID_PAWLEYDELETE, kind=wx.ITEM_NORMAL,text='Pawley delete',
230	help='Delete Pawley reflection list')
231
232	def _init_coll_IndPeaks_Items(self,parent):
233	parent.Append(help='Load/Reload index peaks from peak list',id=wxID_INDXRELOAD,
234	kind=wx.ITEM_NORMAL,text='Load/Reload')
235
236	def _init_coll_Refl_Items(self,parent):
237	self.SelectPhase = parent.Append(help='Select phase for reflection list',id=wxID_SELECTPHASE,
238	kind=wx.ITEM_NORMAL,text='Select phase')
239
240	def _init_coll_Image_Items(self,parent):
241	parent.Append(help='Calibrate detector by fitting to calibrant lines',
242	id=wxID_IMCALIBRATE, kind=wx.ITEM_NORMAL,text='Calibrate')
243	parent.Append(help='Recalibrate detector by fitting to calibrant lines',
244	id=wxID_IMRECALIBRATE, kind=wx.ITEM_NORMAL,text='Realibrate')
245	parent.Append(help='Clear calibration data points and rings',id=wxID_IMCLEARCALIB,
246	kind=wx.ITEM_NORMAL,text='Clear calibration')
247	parent.Append(help='Integrate selected image',id=wxID_IMINTEGRATE,
248	kind=wx.ITEM_NORMAL,text='Integrate')
249	parent.Append(help='Integrate all images selected from list',id=wxID_INTEGRATEALL,
250	kind=wx.ITEM_NORMAL,text='Integrate all')
251	parent.Append(help='Copy image controls to other images',
252	id=wxID_IMCOPYCONTROLS, kind=wx.ITEM_NORMAL,text='Copy Controls')
253	parent.Append(help='Save image controls to file',
254	id=wxID_IMSAVECONTROLS, kind=wx.ITEM_NORMAL,text='Save Controls')
255	parent.Append(help='Load image controls from file',
256	id=wxID_IMLOADCONTROLS, kind=wx.ITEM_NORMAL,text='Load Controls')
257
258	def _init_coll_Mask_Items(self,parent):
259	parent.Append(help='Copy mask to other images',
260	id=wxID_MASKCOPY, kind=wx.ITEM_NORMAL,text='Copy mask')
261	parent.Append(help='Save mask to file',
262	id=wxID_MASKSAVE, kind=wx.ITEM_NORMAL,text='Save mask')
263	parent.Append(help='Load mask from file',
264	id=wxID_MASKLOAD, kind=wx.ITEM_NORMAL,text='Load mask')
265
266	def _init_coll_Inst_Items(self,parent):
267	parent.Append(help='Reset instrument profile parameters to default',
268	id=wxID_INSTPRMRESET, kind=wx.ITEM_NORMAL,text='Reset profile')
269	parent.Append(help='Copy instrument profile parameters to other histograms',
270	id=wxID_INSTCOPY, kind=wx.ITEM_NORMAL,text='Copy')
271	parent.Append(help='Change radiation type (Ka12 - synch)',
272	id=wxID_CHANGEWAVETYPE, kind=wx.ITEM_NORMAL,text='Change radiation')
273
274	def _init_coll_Peak_Items(self,parent):
275	self.UnDo = parent.Append(help='Undo last least squares refinement',
276	id=wxID_UNDO, kind=wx.ITEM_NORMAL,text='UnDo')
277	self.PeakFit = parent.Append(id=wxID_LSQPEAKFIT, kind=wx.ITEM_NORMAL,text='LSQ PeakFit',
278	help='Peak fitting via least-squares' )
279	self.PFOneCycle = parent.Append(id=wxID_LSQONECYCLE, kind=wx.ITEM_NORMAL,text='LSQ one cycle',
280	help='One cycle of Peak fitting via least-squares' )
281	self.ResetSigGam = parent.Append(id=wxID_RESETSIGGAM, kind=wx.ITEM_NORMAL,
282	text='Reset sig and gam',help='Reset sigma and gamma to global fit' )
283	self.ClearPeaks = parent.Append(id=wxID_CLEARPEAKS, kind=wx.ITEM_NORMAL,text='Clear peaks',
284	help='Clear the peak list' )
285
286	def _init_coll_Index_Items(self,parent):
287	self.IndexPeaks = parent.Append(help='', id=wxID_INDEXPEAKS, kind=wx.ITEM_NORMAL,
288	text='Index Cell')
289	self.CopyCell = parent.Append( id=wxID_COPYCELL, kind=wx.ITEM_NORMAL,text='Copy Cell',
290	help='Copy selected unit cell from indexing to cell refinement fields')
291	self.RefineCell = parent.Append( id=wxID_REFINECELL, kind=wx.ITEM_NORMAL,
292	text='Refine Cell',help='Refine unit cell parameters from indexed peaks')
293	self.MakeNewPhase = parent.Append( id=wxID_MAKENEWPHASE, kind=wx.ITEM_NORMAL,
294	text='Make new phase',help='Make new phase from selected unit cell')
295
296	def _init_coll_PDF_Items(self,parent):
297	parent.Append(help='Add element to sample composition',id=wxID_PDFADDELEMENT, kind=wx.ITEM_NORMAL,
298	text='Add element')
299	parent.Append(help='Delete element from sample composition',id=wxID_PDFDELELEMENT, kind=wx.ITEM_NORMAL,
300	text='Delete element')
301	parent.Append(help='Copy PDF controls', id=wxID_PDFCOPYCONTROLS, kind=wx.ITEM_NORMAL,
302	text='Copy controls')
303	# parent.Append(help='Load PDF controls from file',id=wxID_PDFLOADCONTROLS, kind=wx.ITEM_NORMAL,
304	# text='Load Controls')
305	# parent.Append(help='Save PDF controls to file', id=wxID_PDFSAVECONTROLS, kind=wx.ITEM_NORMAL,
306	# text='Save controls')
307	self.PDFCompute = parent.Append(help='Compute PDF', id=wxID_PDFCOMPUTE, kind=wx.ITEM_NORMAL,
308	text='Compute PDF')
309	self.PDFCompute = parent.Append(help='Compute all PDFs', id=wxID_PDFCOMPUTEALL, kind=wx.ITEM_NORMAL,
310	text='Compute all PDFs')
311
312
313	def _init_utils(self):
314	self.BlankMenu = wx.MenuBar()
315
316	self.AtomsMenu = wx.MenuBar()
317	self.ConstraintMenu = wx.MenuBar()
318	self.RestraintMenu = wx.MenuBar()
319	self.DataMenu = wx.MenuBar()
320	self.TextureMenu = wx.MenuBar()
321	self.DrawAtomsMenu = wx.MenuBar()
322	self.PawleyMenu = wx.MenuBar()
323	self.ImageMenu = wx.MenuBar()
324	self.MaskMenu = wx.MenuBar()
325	self.BackMenu = wx.MenuBar()
326	self.LimitMenu = wx.MenuBar()
327	self.InstMenu = wx.MenuBar()
328	self.SampleMenu = wx.MenuBar()
329	self.PeakMenu = wx.MenuBar()
330	self.IndPeaksMenu = wx.MenuBar()
331	self.IndexMenu = wx.MenuBar()
332	self.ReflMenu = wx.MenuBar()
333	self.PDFMenu = wx.MenuBar()
334	self.AtomEdit = wx.Menu(title='')
335	self.ConstraintEdit = wx.Menu(title='')
336	self.RestraintEdit = wx.Menu(title='')
337	self.DataEdit = wx.Menu(title='')
338	self.TextureEdit = wx.Menu(title='')
339	self.DrawAtomEdit = wx.Menu(title='')
340	self.PawleyEdit = wx.Menu(title='')
341	self.ImageEdit = wx.Menu(title='')
342	self.MaskEdit = wx.Menu(title='')
343	self.BackEdit = wx.Menu(title='')
344	self.LimitEdit = wx.Menu(title='')
345	self.InstEdit = wx.Menu(title='')
346	self.SampleEdit = wx.Menu(title='')
347	self.PeakEdit = wx.Menu(title='')
348	self.IndPeaksEdit = wx.Menu(title='')
349	self.IndexEdit = wx.Menu(title='')
350	self.ReflEdit = wx.Menu(title='')
351	self.PDFEdit = wx.Menu(title='')
352	self._init_coll_AtomsMenu(self.AtomsMenu)
353	self._init_coll_Atom_Items(self.AtomEdit)
354	self._init_coll_ConstraintMenu(self.ConstraintMenu)
355	self._init_coll_Constraint_Items(self.ConstraintEdit)
356	self._init_coll_RestraintMenu(self.RestraintMenu)
357	self._init_coll_Restraint_Items(self.RestraintEdit)
358	self._init_coll_DataMenu(self.DataMenu)
359	self._init_coll_Data_Items(self.DataEdit)
360	self._init_coll_TextureMenu(self.TextureMenu)
361	self._init_coll_Texture_Items(self.TextureEdit)
362	self._init_coll_DrawAtomsMenu(self.DrawAtomsMenu)
363	self._init_coll_DrawAtom_Items(self.DrawAtomEdit)
364	self._init_coll_PawleyMenu(self.PawleyMenu)
365	self._init_coll_Pawley_Items(self.PawleyEdit)
366	self._init_coll_ImageMenu(self.ImageMenu)
367	self._init_coll_Image_Items(self.ImageEdit)
368	self._init_coll_MaskMenu(self.MaskMenu)
369	self._init_coll_Mask_Items(self.MaskEdit)
370	self._init_coll_BackMenu(self.BackMenu)
371	self._init_coll_Back_Items(self.BackEdit)
372	self._init_coll_LimitMenu(self.LimitMenu)
373	self._init_coll_Limit_Items(self.LimitEdit)
374	self._init_coll_InstMenu(self.InstMenu)
375	self._init_coll_Inst_Items(self.InstEdit)
376	self._init_coll_SampleMenu(self.SampleMenu)
377	self._init_coll_Sample_Items(self.SampleEdit)
378	self._init_coll_PeakMenu(self.PeakMenu)
379	self._init_coll_Peak_Items(self.PeakEdit)
380	self._init_coll_IndPeaksMenu(self.IndPeaksMenu)
381	self._init_coll_IndPeaks_Items(self.IndPeaksEdit)
382	self._init_coll_IndexMenu(self.IndexMenu)
383	self._init_coll_Index_Items(self.IndexEdit)
384	self._init_coll_ReflMenu(self.ReflMenu)
385	self._init_coll_Refl_Items(self.ReflEdit)
386	self._init_coll_PDFMenu(self.PDFMenu)
387	self._init_coll_PDF_Items(self.PDFEdit)
388	self.UnDo.Enable(False)
389	self.PeakFit.Enable(False)
390	self.PFOneCycle.Enable(False)
391	self.IndexPeaks.Enable(False)
392	self.CopyCell.Enable(False)
393	self.RefineCell.Enable(False)
394	self.MakeNewPhase.Enable(False)
395
396	def _init_ctrls(self, parent,name=None,size=None,pos=None):
397	wx.Frame.__init__(self,parent=parent,style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX,
398	size=size,pos=pos,title='GSAS-II data display')
399	self._init_utils()
400	if name:
401	self.SetLabel(name)
402	self.Show()
403
404	def __init__(self,parent,data=None,name=None, size=None,pos=None):
405	self._init_ctrls(parent,name,size,pos)
406	self.data = data
407	clientSize = wx.ClientDisplayRect()
408	Size = self.GetSize()
409	xPos = clientSize[2]-Size[0]
410	self.SetPosition(wx.Point(xPos,clientSize[1]+250))
411	self.dirname = ''
412	self.AtomGrid = []
413	self.selectedRow = 0
414
415	def setSizePosLeft(self,Width):
416	clientSize = wx.ClientDisplayRect()
417	Width[1] = min(Width[1],clientSize[2]-300)
418	Width[0] = max(Width[0],300)
419	self.SetSize(Width)
420	self.SetPosition(wx.Point(clientSize[2]-Width[0],clientSize[1]+250))
421
422	def Clear(self):
423	self.ClearBackground()
424	self.DestroyChildren()
425
426	class GSNoteBook(wx.Notebook):
427	def __init__(self, parent, name='',size = None):
428	wx.Notebook.__init__(self, parent, -1, name=name, style= wx.BK_TOP)
429	if size: self.SetSize(size)
430
431	def Clear(self):
432	GSNoteBook.DeleteAllPages(self)
433
434	def FindPage(self,name):
435	numPage = self.GetPageCount()
436	for page in range(numPage):
437	if self.GetPageText(page) == name:
438	return page
439
440	class GSGrid(wg.Grid):
441	def __init__(self, parent, name=''):
442	wg.Grid.__init__(self,parent,-1,name=name)
443	self.SetSize(parent.GetClientSize())
444
445	def Clear(self):
446	wg.Grid.ClearGrid(self)
447
448	def SetCellStyle(self,r,c,color="white",readonly=True):
449	self.SetCellBackgroundColour(r,c,color)
450	self.SetReadOnly(r,c,isReadOnly=readonly)
451
452	def GetSelection(self):
453	#this is to satisfy structure drawing stuff in G2plt when focus changes
454	return None
455
456	class Table(wg.PyGridTableBase):
457	def __init__(self, data=[], rowLabels=None, colLabels=None, types = None):
458	wg.PyGridTableBase.__init__(self)
459	self.colLabels = colLabels
460	self.rowLabels = rowLabels
461	self.dataTypes = types
462	self.data = data
463
464	def AppendRows(self, numRows=1):
465	self.data.append([])
466	return True
467
468	def CanGetValueAs(self, row, col, typeName):
469	if self.dataTypes:
470	colType = self.dataTypes[col].split(':')[0]
471	if typeName == colType:
472	return True
473	else:
474	return False
475	else:
476	return False
477
478	def CanSetValueAs(self, row, col, typeName):
479	return self.CanGetValueAs(row, col, typeName)
480
481	def DeleteRow(self,pos):
482	data = self.GetData()
483	self.SetData([])
484	new = []
485	for irow,row in enumerate(data):
486	if irow <> pos:
487	new.append(row)
488	self.SetData(new)
489
490	def GetColLabelValue(self, col):
491	if self.colLabels:
492	return self.colLabels[col]
493
494	def GetData(self):
495	data = []
496	for row in range(self.GetNumberRows()):
497	data.append(self.GetRowValues(row))
498	return data
499
500	def GetNumberCols(self):
501	try:
502	return len(self.colLabels)
503	except TypeError:
504	return None
505
506	def GetNumberRows(self):
507	return len(self.data)
508
509	def GetRowLabelValue(self, row):
510	if self.rowLabels:
511	return self.rowLabels[row]
512
513	def GetColValues(self, col):
514	data = []
515	for row in range(self.GetNumberRows()):
516	data.append(self.GetValue(row, col))
517	return data
518
519	def GetRowValues(self, row):
520	data = []
521	for col in range(self.GetNumberCols()):
522	data.append(self.GetValue(row, col))
523	return data
524
525	def GetTypeName(self, row, col):
526	try:
527	return self.dataTypes[col]
528	except TypeError:
529	return None
530
531	def GetValue(self, row, col):
532	try:
533	return self.data[row][col]
534	except IndexError:
535	return None
536
537	def InsertRows(self, pos, rows):
538	for row in range(rows):
539	self.data.insert(pos,[])
540	pos += 1
541
542	def IsEmptyCell(self,row,col):
543	try:
544	return not self.data[row][col]
545	except IndexError:
546	return True
547
548	def OnKeyPress(self, event):
549	dellist = self.GetSelectedRows()
550	if event.GetKeyCode() == wx.WXK_DELETE and dellist:
551	grid = self.GetView()
552	for i in dellist: grid.DeleteRow(i)
553
554	def SetColLabelValue(self, col, label):
555	numcols = self.GetNumberCols()
556	if col > numcols-1:
557	self.colLabels.append(label)
558	else:
559	self.colLabels[col]=label
560
561	def SetData(self,data):
562	for row in range(len(data)):
563	self.SetRowValues(row,data[row])
564
565	def SetRowLabelValue(self, row, label):
566	self.rowLabels[row]=label
567
568	def SetRowValues(self,row,data):
569	self.data[row] = data
570
571	def SetValue(self, row, col, value):
572	def innerSetValue(row, col, value):
573	try:
574	self.data[row][col] = value
575	except TypeError:
576	return
577	except IndexError:
578	print row,col,value
579	# add a new row
580	if row > self.GetNumberRows():
581	self.data.append([''] * self.GetNumberCols())
582	elif col > self.GetNumberCols():
583	for row in range(self.GetNumberRows):
584	self.data[row].append('')
585	print self.data
586	self.data[row][col] = value
587	innerSetValue(row, col, value)
588
589	def UpdateNotebook(self,data):
590	if data:
591	self.dataFrame.SetLabel('Notebook')
592	self.dataDisplay = wx.TextCtrl(parent=self.dataFrame,size=self.dataFrame.GetClientSize(),
593	style=wx.TE_MULTILINE\|wx.TE_PROCESS_ENTER \| wx.TE_DONTWRAP)
594	for line in data:
595	self.dataDisplay.AppendText(line+"\n")
596	self.dataDisplay.AppendText('Notebook entry @ '+time.ctime()+"\n")
597
598	def UpdateControls(self,data):
599	#patch
600	if 'deriv type' not in data:
601	data = {}
602	data['deriv type'] = 'analytical'
603	data['min dM/M'] = 0.0001
604	data['shift factor'] = 1.
605	if 'shift factor' not in data:
606	data['shift factor'] = 1.
607	#end patch
608	'''
609	#Fourier controls
610	'mapType':'Fobs','d-max':100.,'d-min':0.2,'histograms':[],
611	'stepSize':[0.5,0.5,0.5],'minX':[0.,0.,0.],'maxX':[1.0,1.0,1.0],
612	#distance/angle controls
613	'distMax':0.0,'angleMax':0.0,'useMapPeaks':False}
614	'''
615
616	def SetStatusLine(text):
617	Status.SetStatusText(text)
618
619	def OnConvergence(event):
620	try:
621	value = max(1.e-9,min(1.0,float(Cnvrg.GetValue())))
622	except ValueError:
623	value = 0.0001
624	data['min dM/M'] = value
625	Cnvrg.SetValue('%.2g'%(value))
626
627	def OnDerivType(event):
628	data['deriv type'] = derivSel.GetValue()
629	derivSel.SetValue(data['deriv type'])
630
631	def OnFactor(event):
632	try:
633	value = min(max(float(Factr.GetValue()),0.00001),100.)
634	except ValueError:
635	value = 1.0
636	data['shift factor'] = value
637	Factr.SetValue('%.5f'%(value))
638
639	def OnSelectData(event):
640	choices = ['All',]+GetPatternTreeDataNames(self,['PWDR',])
641	sel = []
642	if 'Seq Data' in data:
643	for item in data['Seq Data']:
644	sel.append(choices.index(item))
645	names = []
646	dlg = wx.MultiChoiceDialog(self,'Select data:','Sequential refinement',choices)
647	dlg.SetSelections(sel)
648	if dlg.ShowModal() == wx.ID_OK:
649	sel = dlg.GetSelections()
650	for i in sel: names.append(choices[i])
651	if 'All' in names:
652	names = choices[1:]
653
654	dlg.Destroy()
655	data['Seq Data'] = names
656	reverseSel.Enable(True)
657
658	def OnReverse(event):
659	data['Reverse Seq'] = reverseSel.GetValue()
660
661	if self.dataDisplay:
662	self.dataDisplay.Destroy()
663	if not self.dataFrame.GetStatusBar():
664	Status = self.dataFrame.CreateStatusBar()
665	SetStatusLine('')
666	self.dataFrame.SetLabel('Controls')
667	self.dataDisplay = wx.Panel(self.dataFrame)
668	self.dataFrame.SetMenuBar(self.dataFrame.BlankMenu)
669	mainSizer = wx.BoxSizer(wx.VERTICAL)
670	mainSizer.Add((5,5),0)
671	mainSizer.Add(wx.StaticText(self.dataDisplay,label=' Refinement Controls:'),0,wx.ALIGN_CENTER_VERTICAL)
672	LSSizer = wx.FlexGridSizer(cols=6,vgap=5,hgap=5)
673	LSSizer.Add(wx.StaticText(self.dataDisplay,label=' Refinement derivatives: '),0,wx.ALIGN_CENTER_VERTICAL)
674	Choice=['analytic','numeric']
675	derivSel = wx.ComboBox(parent=self.dataDisplay,value=data['deriv type'],choices=Choice,
676	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
677	derivSel.SetValue(data['deriv type'])
678	derivSel.Bind(wx.EVT_COMBOBOX, OnDerivType)
679	LSSizer.Add(derivSel,0,wx.ALIGN_CENTER_VERTICAL)
680	LSSizer.Add(wx.StaticText(self.dataDisplay,label=' Min delta-M/M: '),0,wx.ALIGN_CENTER_VERTICAL)
681	Cnvrg = wx.TextCtrl(self.dataDisplay,-1,value='%.2g'%(data['min dM/M']),style=wx.TE_PROCESS_ENTER)
682	Cnvrg.Bind(wx.EVT_TEXT_ENTER,OnConvergence)
683	Cnvrg.Bind(wx.EVT_KILL_FOCUS,OnConvergence)
684	LSSizer.Add(Cnvrg,0,wx.ALIGN_CENTER_VERTICAL)
685	LSSizer.Add(wx.StaticText(self.dataDisplay,label=' Initial shift factor: '),0,wx.ALIGN_CENTER_VERTICAL)
686	Factr = wx.TextCtrl(self.dataDisplay,-1,value='%.5f'%(data['shift factor']),style=wx.TE_PROCESS_ENTER)
687	Factr.Bind(wx.EVT_TEXT_ENTER,OnFactor)
688	Factr.Bind(wx.EVT_KILL_FOCUS,OnFactor)
689	LSSizer.Add(Factr,0,wx.ALIGN_CENTER_VERTICAL)
690	mainSizer.Add(LSSizer)
691	mainSizer.Add((5,5),0)
692
693	SeqSizer = wx.BoxSizer(wx.HORIZONTAL)
694	SeqSizer.Add(wx.StaticText(self.dataDisplay,label=' Sequential Refinement Powder Data: '),0,wx.ALIGN_CENTER_VERTICAL)
695	selSeqData = wx.Button(self.dataDisplay,-1,label=' Select data')
696	selSeqData.Bind(wx.EVT_BUTTON,OnSelectData)
697	SeqSizer.Add(selSeqData,0,wx.ALIGN_CENTER_VERTICAL)
698	SeqSizer.Add((5,0),0)
699	reverseSel = wx.CheckBox(self.dataDisplay,-1,label=' Reverse order?')
700	reverseSel.Bind(wx.EVT_CHECKBOX,OnReverse)
701	if 'Seq Data' not in data:
702	reverseSel.Enable(False)
703	if 'Reverse Seq' in data:
704	reverseSel.SetValue(data['Reverse Seq'])
705	SeqSizer.Add(reverseSel,0,wx.ALIGN_CENTER_VERTICAL)
706
707
708	mainSizer.Add(SeqSizer)
709	mainSizer.Add((5,5),0)
710
711	mainSizer.Add(wx.StaticText(self.dataDisplay,label=' Density Map Controls:'),0,wx.ALIGN_CENTER_VERTICAL)
712
713	mainSizer.Add((5,5),0)
714	mainSizer.Add(wx.StaticText(self.dataDisplay,label=' Distance/angle Controls:'),0,wx.ALIGN_CENTER_VERTICAL)
715
716	mainSizer.Layout()
717	self.dataDisplay.SetSizer(mainSizer)
718	self.dataDisplay.SetSize(mainSizer.Fit(self.dataFrame))
719	self.dataFrame.setSizePosLeft(mainSizer.Fit(self.dataFrame))
720
721	def UpdateComments(self,data):
722	self.dataFrame.SetLabel('Comments')
723	self.dataDisplay = wx.TextCtrl(parent=self.dataFrame,size=self.dataFrame.GetClientSize(),
724	style=wx.TE_MULTILINE\|wx.TE_PROCESS_ENTER \| wx.TE_DONTWRAP)
725	for line in data:
726	if line[-1] == '\n':
727	self.dataDisplay.AppendText(line)
728	else:
729	self.dataDisplay.AppendText(line+'\n')
730
731	def UpdateSeqResults(self,data):
732	if not data:
733	print 'No sequential refinement results'
734	return
735	histNames = data['histNames']
736
737	def GetSigData(parm):
738	sigData = []
739	for name in histNames:
740	sigList = data[name]['sig']
741	sigData.append(sigList[parm])
742	return sigData
743
744	def Select(event):
745	cols = self.dataDisplay.GetSelectedCols()
746	rows = self.dataDisplay.GetSelectedRows()
747	if cols:
748	plotData = []
749	plotSig = []
750	plotNames = []
751	for col in cols:
752	plotData.append(self.SeqTable.GetColValues(col))
753	plotSig.append(GetSigData(col))
754	plotNames.append(self.SeqTable.GetColLabelValue(col))
755	plotData = np.array(plotData)
756	G2plt.PlotSeq(self,plotData,plotSig,plotNames)
757	elif rows:
758	name = histNames[rows[0]]
759	G2plt.PlotCovariance(self,Data=data[name])
760
761	if self.dataDisplay:
762	self.dataDisplay.Destroy()
763	self.dataFrame.SetMenuBar(self.dataFrame.BlankMenu)
764	self.dataFrame.SetLabel('Sequental refinement results')
765	self.dataFrame.CreateStatusBar()
766	colLabels = data['varyList']
767	Types = len(data['varyList'])*[wg.GRID_VALUE_FLOAT,]
768	seqList = [list(data[name]['variables']) for name in histNames]
769	self.SeqTable = Table(seqList,colLabels=colLabels,rowLabels=histNames,types=Types)
770	self.dataDisplay = GSGrid(parent=self.dataFrame)
771	self.dataDisplay.SetTable(self.SeqTable, True)
772	self.dataDisplay.EnableEditing(False)
773	self.dataDisplay.Bind(wg.EVT_GRID_LABEL_LEFT_DCLICK, Select)
774	self.dataDisplay.SetRowLabelSize(8*len(histNames[0])) #pretty arbitrary 8
775	self.dataDisplay.SetMargins(0,0)
776	self.dataDisplay.AutoSizeColumns(True)
777	self.dataFrame.setSizePosLeft([700,350])
778
779	def UpdateConstraints(self,data):
780	# data.update({'Hist':[],'HAP':[],'Phase':[]}) #empty dict - fill it
781	if not data:
782	data.update({'Hist':[],'HAP':[],'Phase':[]}) #empty dict - fill it
783	Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree()
784	AtomDict = dict([Phases[phase]['pId'],Phases[phase]['Atoms']] for phase in Phases)
785	Natoms,phaseVary,phaseDict,pawleyLookup,FFtable = G2str.GetPhaseData(Phases,Print=False)
786	phaseList = []
787	for item in phaseDict:
788	if item.split(':')[2] not in ['Ax','Ay','Az','Amul','AI/A','Atype','SHorder']:
789	phaseList.append(item)
790	phaseList.sort()
791	phaseAtNames = {}
792	for item in phaseList:
793	Split = item.split(':')
794	if Split[2][:2] in ['AU','Af','dA']:
795	phaseAtNames[item] = AtomDict[int(Split[0])][int(Split[3])][0]
796	else:
797	phaseAtNames[item] = ''
798
799	hapVary,hapDict,controlDict = G2str.GetHistogramPhaseData(Phases,Histograms,Print=False)
800	hapList = hapDict.keys()
801	hapList.sort()
802	histVary,histDict,controlDict = G2str.GetHistogramData(Histograms,Print=False)
803	histList = []
804	for item in histDict:
805	if item.split(':')[2] not in ['Omega','Type','Chi','Phi','Azimuth','Gonio. radius','Lam1','Lam2']:
806	histList.append(item)
807	histList.sort()
808	Indx = {}
809	scope = {} #filled out later
810	self.Page = [0,'phs']
811
812	def GetPHlegends(Phases,Histograms):
813	plegend = '\n In p::name'
814	hlegend = '\n In :h:name'
815	phlegend = '\n In p:h:name'
816	for phase in Phases:
817	plegend += '\n p:: = '+str(Phases[phase]['pId'])+':: for '+phase
818	for histogram in Phases[phase]['Histograms']:
819	phlegend += '\n p:h: = '+str(Phases[phase]['pId'])+':'+str(Histograms[histogram]['hId'])+': for '+phase+' in '+histogram
820	for histogram in Histograms:
821	hlegend += '\n :h: = :'+str(Histograms[histogram]['hId'])+': for '+histogram
822	return plegend,hlegend,phlegend
823
824	def FindEquivVarb(name,nameList):
825	outList = []
826	namelist = [name.split(':')[2],]
827	if 'dA' in name:
828	namelist = ['dAx','dAy','dAz']
829	elif 'AU' in name:
830	namelist = ['AUiso','AU11','AU22','AU33','AU12','AU13','AU23']
831	for item in nameList:
832	key = item.split(':')[2]
833	if key in namelist and item != name:
834	outList.append(item)
835	return outList
836
837	def SelectVarbs(page,FrstVarb,varList,legend,constType):
838	#future - add 'all:all:name', '0:all:name', etc. to the varList
839	if page[1] == 'phs':
840	atchoice = [item+' for '+phaseAtNames[item] for item in varList]
841	dlg = wx.MultiChoiceDialog(self,'Select more variables:'+legend,FrstVarb+' and:',atchoice)
842	else:
843	dlg = wx.MultiChoiceDialog(self,'Select more variables:'+legend,FrstVarb+' and:',varList)
844	varbs = [FrstVarb,]
845	if dlg.ShowModal() == wx.ID_OK:
846	sel = dlg.GetSelections()
847	for x in sel:
848	varbs.append(varList[x])
849	dlg.Destroy()
850	if len(varbs) > 1:
851	if 'equivalence' in constType:
852	constr = []
853	for item in varbs[1:]:
854	# constr += [[{FrstVarb:1.0},{item:-1.0},None,None],]
855	constr += [[[1.0,FrstVarb],[-1.0,item],None,None],]
856	return constr #multiple constraints
857	elif 'function' in constType:
858	# constr = map(dict,zip(varbs,[1.0 for i in range(len(varbs))]))
859	constr = map(list,zip([1.0 for i in range(len(varbs))],varbs))
860	return [constr+[0.0,False]] #just one constraint
861	else: #'constraint'
862	constr = map(list,zip([1.0 for i in range(len(varbs))],varbs))
863	# constr = map(dict,zip(varbs,[1.0 for i in range(len(varbs))]))
864	return [constr+[0.0,None]] #just one constraint
865	return []
866
867	def OnAddHold(event):
868	for phase in Phases:
869	Phase = Phases[phase]
870	Atoms = Phase['Atoms']
871	constr = []
872	page = self.Page
873	choice = scope[page[1]]
874	if page[1] == 'phs':
875	atchoice = [item+' for '+phaseAtNames[item] for item in choice[2]]
876	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],atchoice)
877	else:
878	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],choice[2])
879	if dlg.ShowModal() == wx.ID_OK:
880	sel = dlg.GetSelection()
881	FrstVarb = choice[2][sel]
882	data[choice[3]] += [[[0.0,FrstVarb],None,None],]
883	dlg.Destroy()
884	choice[4]()
885
886	def OnAddEquivalence(event):
887	constr = []
888	page = self.Page
889	choice = scope[page[1]]
890	if page[1] == 'phs':
891	atchoice = [item+' for '+phaseAtNames[item] for item in choice[2]]
892	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],atchoice)
893	else:
894	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],choice[2])
895	if dlg.ShowModal() == wx.ID_OK:
896	sel = dlg.GetSelection()
897	FrstVarb = choice[2][sel]
898	moreVarb = FindEquivVarb(FrstVarb,choice[2])
899	constr = SelectVarbs(page,FrstVarb,moreVarb,choice[1],'equivalence')
900	if len(constr) > 0:
901	data[choice[3]] += constr
902	dlg.Destroy()
903	choice[4]()
904
905	def OnAddFunction(event):
906	constr = []
907	page = self.Page
908	choice = scope[page[1]]
909	if page[1] == 'phs':
910	atchoice = [item+' for '+phaseAtNames[item] for item in choice[2]]
911	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],atchoice)
912	else:
913	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],choice[2])
914	if dlg.ShowModal() == wx.ID_OK:
915	sel = dlg.GetSelection()
916	FrstVarb = choice[2][sel]
917	moreVarb = FindEquivVarb(FrstVarb,choice[2])
918	constr = SelectVarbs(page,FrstVarb,moreVarb,choice[1],'function')
919	if len(constr) > 0:
920	data[choice[3]] += constr
921	dlg.Destroy()
922	choice[4]()
923
924	def OnAddConstraint(event):
925	constr = []
926	page = self.Page
927	choice = scope[page[1]]
928	if page[1] == 'phs':
929	atchoice = [item+' for '+phaseAtNames[item] for item in choice[2]]
930	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],atchoice)
931	else:
932	dlg = wx.SingleChoiceDialog(self,'Select 1st variable:'+choice[1],choice[0],choice[2])
933	if dlg.ShowModal() == wx.ID_OK:
934	sel = dlg.GetSelection()
935	FrstVarb = choice[2][sel]
936	moreVarb = FindEquivVarb(FrstVarb,choice[2])
937	constr = SelectVarbs(page,FrstVarb,moreVarb,choice[1],'constraint')
938	if len(constr) > 0:
939	data[choice[3]] += constr
940	dlg.Destroy()
941	choice[4]()
942
943	def ConstSizer(name,pageDisplay):
944	constSizer = wx.FlexGridSizer(1,4,0,0)
945	for Id,item in enumerate(data[name]):
946	constDel = wx.Button(pageDisplay,-1,'Delete',style=wx.BU_EXACTFIT)
947	constDel.Bind(wx.EVT_BUTTON,OnConstDel)
948	Indx[constDel.GetId()] = [Id,name]
949	if len(item) < 4:
950	constSizer.Add((5,5),0)
951	constSizer.Add(constDel)
952	eqString = ' FIXED '+item[0][1]+' '
953	constSizer.Add((5,0),0)
954	else:
955	constEdit = wx.Button(pageDisplay,-1,'Edit',style=wx.BU_EXACTFIT)
956	constEdit.Bind(wx.EVT_BUTTON,OnConstEdit)
957	Indx[constEdit.GetId()] = [Id,name]
958	constSizer.Add(constEdit)
959	constSizer.Add(constDel)
960	if isinstance(item[-1],bool):
961	constRef = wx.CheckBox(pageDisplay,-1,label=' Refine?')
962	constRef.SetValue(item[-1])
963	constRef.Bind(wx.EVT_CHECKBOX,OnConstRef)
964	Indx[constRef.GetId()] = item
965	constSizer.Add(constRef,0,wx.ALIGN_CENTER_VERTICAL)
966	eqString = ' FUNCT '
967	elif isinstance(item[-2],float):
968	constSizer.Add((5,5),0)
969	eqString = ' CONSTR '
970	else:
971	constSizer.Add((5,5),0)
972	eqString = ' EQUIV '
973	for term in item[:-2]:
974	eqString += '%+.3f*%s '%(term[0],term[1])
975	if isinstance(item[-2],float):
976	eqString += ' = %.3f'%(item[-2])+' '
977	else:
978	eqString += ' = 0 '
979	constSizer.Add(wx.StaticText(pageDisplay,-1,eqString),0,wx.ALIGN_CENTER_VERTICAL)
980	return constSizer
981
982	def OnConstRef(event):
983	Obj = event.GetEventObject()
984	Indx[Obj.GetId()][-1] = Obj.GetValue()
985
986	def OnConstDel(event):
987	Obj = event.GetEventObject()
988	Id,name = Indx[Obj.GetId()]
989	del(data[name][Id])
990	OnPageChanged(None)
991
992	def OnConstEdit(event):
993	Obj = event.GetEventObject()
994	Id,name = Indx[Obj.GetId()]
995	const = data[name][Id][-2]
996	if isinstance(data[name][Id][-1],bool):
997	items = data[name][Id][:-2]+[[],]
998	constType = 'Function'
999	extra = '; sum = new variable'
1000	elif isinstance(data[name][Id][-2],float):
1001	items = data[name][Id][:-2]+[[const,'= fixed value'],[]]
1002	constType = 'Constraint'
1003	extra = ' sum = constant'
1004	else:
1005	items = data[name][Id][:-2]+[[],]
1006	constType = 'Equivalence'
1007	extra = '; sum = 0'
1008	dlg = self.SumDialog(self,constType,'Enter value for each term in constraint'+extra,'',items)
1009	try:
1010	if dlg.ShowModal() == wx.ID_OK:
1011	result = dlg.GetData()
1012	if isinstance(data[name][Id][-2],float):
1013	data[name][Id][:-2] = result[:-2]
1014	data[name][Id][-2] = result[-2][0]
1015	else:
1016	data[name][Id][:-2] = result[:-1]
1017	finally:
1018	dlg.Destroy()
1019	OnPageChanged(None)
1020
1021	def UpdateHAPConstr():
1022	HAPConstr.DestroyChildren()
1023	HAPDisplay = wx.Panel(HAPConstr)
1024	HAPSizer = wx.BoxSizer(wx.VERTICAL)
1025	HAPSizer.Add((5,5),0)
1026	HAPSizer.Add(ConstSizer('HAP',HAPDisplay))
1027	HAPDisplay.SetSizer(HAPSizer,True)
1028	Size = HAPSizer.GetMinSize()
1029	Size[0] += 40
1030	Size[1] = max(Size[1],250) + 20
1031	HAPDisplay.SetSize(Size)
1032	HAPConstr.SetScrollbars(10,10,Size[0]/10-4,Size[1]/10-1)
1033	Size[1] = min(Size[1],250)
1034	self.dataFrame.setSizePosLeft(Size)
1035
1036	def UpdateHistConstr():
1037	HistConstr.DestroyChildren()
1038	HistDisplay = wx.Panel(HistConstr)
1039	HistSizer = wx.BoxSizer(wx.VERTICAL)
1040	HistSizer.Add((5,5),0)
1041	HistSizer.Add(ConstSizer('Hist',HistDisplay))
1042	HistDisplay.SetSizer(HistSizer,True)
1043	Size = HistSizer.GetMinSize()
1044	Size[0] += 40
1045	Size[1] = max(Size[1],250) + 20
1046	HistDisplay.SetSize(Size)
1047	HistConstr.SetScrollbars(10,10,Size[0]/10-4,Size[1]/10-1)
1048	Size[1] = min(Size[1],250)
1049	self.dataFrame.setSizePosLeft(Size)
1050
1051	def UpdatePhaseConstr():
1052	PhaseConstr.DestroyChildren()
1053	PhaseDisplay = wx.Panel(PhaseConstr)
1054	PhaseSizer = wx.BoxSizer(wx.VERTICAL)
1055	PhaseSizer.Add((5,5),0)
1056	PhaseSizer.Add(ConstSizer('Phase',PhaseDisplay))
1057	PhaseDisplay.SetSizer(PhaseSizer,True)
1058	Size = PhaseSizer.GetMinSize()
1059	Size[0] += 40
1060	Size[1] = max(Size[1],250) + 20
1061	PhaseDisplay.SetSize(Size)
1062	PhaseConstr.SetScrollbars(10,10,Size[0]/10-4,Size[1]/10-1)
1063	Size[1] = min(Size[1],250)
1064	self.dataFrame.setSizePosLeft(Size)
1065
1066	def OnPageChanged(event):
1067	if event: #page change event!
1068	page = event.GetSelection()
1069	else:
1070	page = self.dataDisplay.GetSelection()
1071	oldPage = self.dataDisplay.ChangeSelection(page)
1072	text = self.dataDisplay.GetPageText(page)
1073	if text == 'Histogram/Phase constraints':
1074	self.Page = [page,'hap']
1075	UpdateHAPConstr()
1076	elif text == 'Histogram constraints':
1077	self.Page = [page,'hst']
1078	UpdateHistConstr()
1079	elif text == 'Phase constraints':
1080	self.Page = [page,'phs']
1081	UpdatePhaseConstr()
1082
1083	def SetStatusLine(text):
1084	Status.SetStatusText(text)
1085
1086	plegend,hlegend,phlegend = GetPHlegends(Phases,Histograms)
1087	scope = {'hst':['Histogram variables:',hlegend,histList,'Hist',UpdateHistConstr],
1088	'hap':['HAP variables:',phlegend,hapList,'HAP',UpdateHAPConstr],
1089	'phs':['Phase variables:',plegend,phaseList,'Phase',UpdatePhaseConstr]}
1090	if self.dataDisplay:
1091	self.dataDisplay.Destroy()
1092	self.dataFrame.SetMenuBar(self.dataFrame.ConstraintMenu)
1093	self.dataFrame.SetLabel('Constraints')
1094	if not self.dataFrame.GetStatusBar():
1095	Status = self.dataFrame.CreateStatusBar()
1096	SetStatusLine('')
1097
1098	self.dataFrame.SetMenuBar(self.dataFrame.ConstraintMenu)
1099	self.dataFrame.Bind(wx.EVT_MENU, OnAddConstraint, id=wxID_CONSTRAINTADD)
1100	self.dataFrame.Bind(wx.EVT_MENU, OnAddFunction, id=wxID_FUNCTADD)
1101	self.dataFrame.Bind(wx.EVT_MENU, OnAddEquivalence, id=wxID_EQUIVADD)
1102	self.dataFrame.Bind(wx.EVT_MENU, OnAddHold, id=wxID_HOLDADD)
1103	self.dataDisplay = GSNoteBook(parent=self.dataFrame,size=self.dataFrame.GetClientSize())
1104
1105	PhaseConstr = wx.ScrolledWindow(self.dataDisplay)
1106	self.dataDisplay.AddPage(PhaseConstr,'Phase constraints')
1107	HAPConstr = wx.ScrolledWindow(self.dataDisplay)
1108	self.dataDisplay.AddPage(HAPConstr,'Histogram/Phase constraints')
1109	HistConstr = wx.ScrolledWindow(self.dataDisplay)
1110	self.dataDisplay.AddPage(HistConstr,'Histogram constraints')
1111	UpdatePhaseConstr()
1112
1113	self.dataDisplay.Bind(wx.EVT_NOTEBOOK_PAGE_CHANGED, OnPageChanged)
1114
1115
1116	def UpdateRestraints(self,data):
1117
1118	def OnAddRestraint(event):
1119	page = self.dataDisplay.GetSelection()
1120	print self.dataDisplay.GetPageText(page)
1121
1122	def UpdateAtomRestr():
1123	AtomRestr.DestroyChildren()
1124	dataDisplay = wx.Panel(AtomRestr)
1125	mainSizer = wx.BoxSizer(wx.VERTICAL)
1126	mainSizer.Add((5,5),0)
1127	mainSizer.Add(wx.StaticText(dataDisplay,-1,'Atom restraint data:'),0,wx.ALIGN_CENTER_VERTICAL)
1128	mainSizer.Add((5,5),0)
1129
1130
1131	dataDisplay.SetSizer(mainSizer)
1132	Size = mainSizer.Fit(self.dataFrame)
1133	Size[1] += 26 #compensate for status bar
1134	dataDisplay.SetSize(Size)
1135	self.dataFrame.setSizePosLeft(Size)
1136
1137	def UpdatePhaseRestr():
1138	PhaseRestr.DestroyChildren()
1139	dataDisplay = wx.Panel(PhaseRestr)
1140	mainSizer = wx.BoxSizer(wx.VERTICAL)
1141	mainSizer.Add((5,5),0)
1142	mainSizer.Add(wx.StaticText(dataDisplay,-1,'Phase restraint data:'),0,wx.ALIGN_CENTER_VERTICAL)
1143	mainSizer.Add((5,5),0)
1144
1145
1146	dataDisplay.SetSizer(mainSizer)
1147	Size = mainSizer.Fit(self.dataFrame)
1148	Size[1] += 26 #compensate for status bar
1149	dataDisplay.SetSize(Size)
1150	self.dataFrame.setSizePosLeft(Size)
1151
1152	def OnPageChanged(event):
1153	page = event.GetSelection()
1154	text = self.dataDisplay.GetPageText(page)
1155	if text == 'Atom restraints':
1156	self.dataFrame.SetMenuBar(self.dataFrame.RestraintMenu)
1157	UpdateAtomRestr()
1158	elif text == 'Phase restraints':
1159	UpdatePhaseRestr()
1160	self.dataFrame.SetMenuBar(self.dataFrame.RestraintMenu)
1161	event.Skip()
1162
1163	if self.dataDisplay:
1164	self.dataDisplay.Destroy()
1165	self.dataFrame.SetMenuBar(self.dataFrame.RestraintMenu)
1166	self.dataFrame.SetLabel('restraints')
1167	self.dataFrame.CreateStatusBar()
1168	self.dataFrame.Bind(wx.EVT_MENU, OnAddRestraint, id=wxID_RESTRAINTADD)
1169	self.dataDisplay = GSNoteBook(parent=self.dataFrame,size=self.dataFrame.GetClientSize())
1170
1171	PhaseRestr = wx.ScrolledWindow(self.dataDisplay)
1172	self.dataDisplay.AddPage(PhaseRestr,'Phase restraints')
1173	AtomRestr = wx.ScrolledWindow(self.dataDisplay)
1174	self.dataDisplay.AddPage(AtomRestr,'Atom restraints')
1175	UpdatePhaseRestr()
1176	# AtomRestrData = data['AtomRestr']
1177
1178	self.dataDisplay.Bind(wx.EVT_NOTEBOOK_PAGE_CHANGED, OnPageChanged)
1179
1180	def UpdateHKLControls(self,data):
1181
1182	def OnScaleSlider(event):
1183	scale = int(scaleSel.GetValue())/1000.
1184	scaleSel.SetValue(int(scale*1000.))
1185	data['Scale'] = scale*10.
1186	G2plt.PlotSngl(self)
1187
1188	def OnLayerSlider(event):
1189	layer = layerSel.GetValue()
1190	data['Layer'] = layer
1191	G2plt.PlotSngl(self)
1192
1193	def OnSelZone(event):
1194	data['Zone'] = zoneSel.GetValue()
1195	G2plt.PlotSngl(self,newPlot=True)
1196
1197	def OnSelType(event):
1198	data['Type'] = typeSel.GetValue()
1199	G2plt.PlotSngl(self)
1200
1201	def SetStatusLine():
1202	Status.SetStatusText("look at me!!!")
1203
1204	if self.dataDisplay:
1205	self.dataDisplay.Destroy()
1206	if not self.dataFrame.GetStatusBar():
1207	Status = self.dataFrame.CreateStatusBar()
1208	SetStatusLine()
1209	zones = ['100','010','001']
1210	HKLmax = data['HKLmax']
1211	HKLmin = data['HKLmin']
1212	if data['ifFc']:
1213	typeChoices = ['Fosq','Fo','\|DFsq\|/sig','\|DFsq\|>sig','\|DFsq\|>3sig']
1214	else:
1215	typeChoices = ['Fosq','Fo']
1216	self.dataDisplay = wx.Panel(self.dataFrame)
1217	self.dataFrame.SetMenuBar(self.dataFrame.BlankMenu)
1218	mainSizer = wx.BoxSizer(wx.VERTICAL)
1219	mainSizer.Add((5,10),0)
1220
1221	scaleSizer = wx.BoxSizer(wx.HORIZONTAL)
1222	scaleSizer.Add(wx.StaticText(parent=self.dataDisplay,label=' Scale'),0,
1223	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
1224	scaleSel = wx.Slider(parent=self.dataDisplay,maxValue=1000,minValue=100,
1225	style=wx.SL_HORIZONTAL,value=int(data['Scale']*100))
1226	scaleSizer.Add(scaleSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
1227	scaleSel.SetLineSize(100)
1228	scaleSel.SetPageSize(900)
1229	scaleSel.Bind(wx.EVT_SLIDER, OnScaleSlider)
1230	mainSizer.Add(scaleSizer,1,wx.EXPAND\|wx.RIGHT)
1231
1232	zoneSizer = wx.BoxSizer(wx.HORIZONTAL)
1233	zoneSizer.Add(wx.StaticText(parent=self.dataDisplay,label=' Zone '),0,
1234	wx.ALIGN_CENTER_VERTICAL)
1235	zoneSel = wx.ComboBox(parent=self.dataDisplay,value=data['Zone'],choices=['100','010','001'],
1236	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1237	zoneSel.Bind(wx.EVT_COMBOBOX, OnSelZone)
1238	zoneSizer.Add(zoneSel,0,wx.ALIGN_CENTER_VERTICAL)
1239	zoneSizer.Add(wx.StaticText(parent=self.dataDisplay,label=' Plot type '),0,
1240	wx.ALIGN_CENTER_VERTICAL)
1241	typeSel = wx.ComboBox(parent=self.dataDisplay,value=data['Type'],choices=typeChoices,
1242	style=wx.CB_READONLY\|wx.CB_DROPDOWN)
1243	typeSel.Bind(wx.EVT_COMBOBOX, OnSelType)
1244	zoneSizer.Add(typeSel,0,wx.ALIGN_CENTER_VERTICAL)
1245	zoneSizer.Add((10,0),0)
1246	mainSizer.Add(zoneSizer,1,wx.EXPAND\|wx.RIGHT)
1247
1248	izone = zones.index(data['Zone'])
1249	layerSizer = wx.BoxSizer(wx.HORIZONTAL)
1250	layerSizer.Add(wx.StaticText(parent=self.dataDisplay,label=' Layer'),0,
1251	wx.ALIGN_CENTER_VERTICAL\|wx.EXPAND)
1252	layerSel = wx.Slider(parent=self.dataDisplay,maxValue=HKLmax[izone],minValue=HKLmin[izone],
1253	style=wx.SL_HORIZONTAL\|wx.SL_AUTOTICKS\|wx.SL_LABELS,value=0)
1254	layerSel.SetLineSize(1)
1255	layerSel.SetLineSize(5)
1256	layerSel.Bind(wx.EVT_SLIDER, OnLayerSlider)
1257	layerSizer.Add(layerSel,1,wx.EXPAND\|wx.RIGHT\|wx.ALIGN_CENTER_VERTICAL)
1258	layerSizer.Add((10,0),0)
1259	mainSizer.Add(layerSizer,1,wx.EXPAND\|wx.RIGHT)
1260
1261
1262	mainSizer.Layout()
1263	self.dataDisplay.SetSizer(mainSizer)
1264	self.dataDisplay.SetSize(mainSizer.Fit(self.dataFrame))
1265	self.dataFrame.setSizePosLeft(mainSizer.Fit(self.dataFrame))
1266
1267	def GetPatternTreeDataNames(self,dataTypes):
1268	names = []
1269	item, cookie = self.PatternTree.GetFirstChild(self.root)
1270	while item:
1271	name = self.PatternTree.GetItemText(item)
1272	if name[:4] in dataTypes:
1273	names.append(name)
1274	item, cookie = self.PatternTree.GetNextChild(self.root, cookie)
1275	return names
1276
1277	def GetPatternTreeItemId(self, parentId, itemText):
1278	item, cookie = self.PatternTree.GetFirstChild(parentId)
1279	while item:
1280	if self.PatternTree.GetItemText(item) == itemText:
1281	return item
1282	item, cookie = self.PatternTree.GetNextChild(parentId, cookie)
1283	return 0
1284
1285	def MovePatternTreeToGrid(self,item):
1286
1287	# print self.PatternTree.GetItemText(item)
1288
1289	oldPage = 0
1290	if self.dataFrame:
1291	self.dataFrame.SetMenuBar(self.dataFrame.BlankMenu)
1292	if self.dataFrame.GetLabel() == 'Comments':
1293	data = [self.dataDisplay.GetValue()]
1294	self.dataDisplay.Clear()
1295	Id = GetPatternTreeItemId(self,self.root, 'Comments')
1296	if Id: self.PatternTree.SetItemPyData(Id,data)
1297	if self.dataFrame.GetLabel() == 'Notebook':
1298	data = [self.dataDisplay.GetValue()]
1299	self.dataDisplay.Clear()
1300	Id = GetPatternTreeItemId(self,self.root, 'Notebook')
1301	if Id: self.PatternTree.SetItemPyData(Id,data)
1302	if 'Phase Data for' in self.dataFrame.GetLabel():
1303	if self.dataDisplay:
1304	oldPage = self.dataDisplay.GetSelection()
1305	self.dataFrame.Clear()
1306	self.dataFrame.SetLabel('')
1307	else:
1308	self.dataFrame = DataFrame(parent=self.mainPanel)
1309
1310	self.dataFrame.Raise()
1311	self.PickId = 0
1312	parentID = self.root
1313	self.ExportPattern.Enable(False)
1314	if item != self.root:
1315	parentID = self.PatternTree.GetItemParent(item)
1316	if self.PatternTree.GetItemParent(item) == self.root:
1317	self.PatternId = item
1318	self.PickId = item
1319	if self.PatternTree.GetItemText(item) == 'Notebook':
1320	self.PatternId = 0
1321	self.ExportPattern.Enable(False)
1322	data = self.PatternTree.GetItemPyData(item)
1323	UpdateNotebook(self,data)
1324	elif self.PatternTree.GetItemText(item) == 'Controls':
1325	self.PatternId = 0
1326	self.ExportPattern.Enable(False)
1327	data = self.PatternTree.GetItemPyData(item)
1328	if not data: #fill in defaults
1329	data = {
1330	#least squares controls
1331	'deriv type':'analytic','min dM/M':0.0001,'shift factor':1.0,
1332	#Fourier controls
1333	'mapType':'Fobs','d-max':100.,'d-min':0.2,'histograms':[],
1334	'stepSize':[0.5,0.5,0.5],'minX':[0.,0.,0.],'maxX':[1.0,1.0,1.0],
1335	#distance/angle controls
1336	'distMax':0.0,'angleMax':0.0,'useMapPeaks':False}
1337	self.PatternTree.SetItemPyData(item,data)
1338	self.Refine.Enable(True)
1339	self.SeqRefine.Enable(True)
1340	UpdateControls(self,data)
1341	elif self.PatternTree.GetItemText(item) == 'Sequental results':
1342	data = self.PatternTree.GetItemPyData(item)
1343	UpdateSeqResults(self,data)
1344	elif self.PatternTree.GetItemText(item) == 'Covariance':
1345	data = self.PatternTree.GetItemPyData(item)
1346	G2plt.PlotCovariance(self)
1347	elif self.PatternTree.GetItemText(item) == 'Constraints':
1348	data = self.PatternTree.GetItemPyData(item)
1349	UpdateConstraints(self,data)
1350	elif self.PatternTree.GetItemText(item) == 'Restraints':
1351	data = self.PatternTree.GetItemPyData(item)
1352	UpdateRestraints(self,data)
1353	elif 'IMG' in self.PatternTree.GetItemText(item):
1354	self.Image = item
1355	G2plt.PlotImage(self,newPlot=True)
1356	elif 'PKS' in self.PatternTree.GetItemText(item):
1357	G2plt.PlotPowderLines(self)
1358	elif 'PWDR' in self.PatternTree.GetItemText(item):
1359	self.ExportPattern.Enable(True)
1360	G2plt.PlotPatterns(self,newPlot=True)
1361	elif 'HKLF' in self.PatternTree.GetItemText(item):
1362	self.Sngl = item
1363	G2plt.PlotSngl(self,newPlot=True)
1364	elif 'PDF' in self.PatternTree.GetItemText(item):
1365	self.PatternId = item
1366	self.ExportPDF.Enable(True)
1367	G2plt.PlotISFG(self,type='S(Q)')
1368
1369	elif 'I(Q)' in self.PatternTree.GetItemText(item):
1370	self.PickId = item
1371	self.PatternId = self.PatternTree.GetItemParent(item)
1372	G2plt.PlotISFG(self,type='I(Q)',newPlot=True)
1373	elif 'S(Q)' in self.PatternTree.GetItemText(item):
1374	self.PickId = item
1375	self.PatternId = self.PatternTree.GetItemParent(item)
1376	G2plt.PlotISFG(self,type='S(Q)',newPlot=True)
1377	elif 'F(Q)' in self.PatternTree.GetItemText(item):
1378	self.PickId = item
1379	self.PatternId = self.PatternTree.GetItemParent(item)
1380	G2plt.PlotISFG(self,type='F(Q)',newPlot=True)
1381	elif 'G(R)' in self.PatternTree.GetItemText(item):
1382	self.PickId = item
1383	self.PatternId = self.PatternTree.GetItemParent(item)
1384	G2plt.PlotISFG(self,type='G(R)',newPlot=True)
1385	elif self.PatternTree.GetItemText(parentID) == 'Phases':
1386	self.PickId = item
1387	data = self.PatternTree.GetItemPyData(item)
1388	G2phG.UpdatePhaseData(self,item,data,oldPage)
1389	elif self.PatternTree.GetItemText(item) == 'Comments':
1390	self.PatternId = self.PatternTree.GetItemParent(item)
1391	self.PickId = item
1392	data = self.PatternTree.GetItemPyData(item)
1393	UpdateComments(self,data)
1394	elif self.PatternTree.GetItemText(item) == 'Image Controls':
1395	self.dataFrame.SetTitle('Image Controls')
1396	self.PickId = item
1397	self.Image = self.PatternTree.GetItemParent(item)
1398	masks = self.PatternTree.GetItemPyData(
1399	GetPatternTreeItemId(self,self.Image, 'Masks'))
1400	data = self.PatternTree.GetItemPyData(item)
1401	G2imG.UpdateImageControls(self,data,masks)
1402	G2plt.PlotImage(self)
1403	elif self.PatternTree.GetItemText(item) == 'Masks':
1404	self.dataFrame.SetTitle('Masks')
1405	self.PickId = item
1406	self.Image = self.PatternTree.GetItemParent(item)
1407	data = self.PatternTree.GetItemPyData(item)
1408	G2imG.UpdateMasks(self,data)
1409	G2plt.PlotImage(self)
1410	elif self.PatternTree.GetItemText(item) == 'HKL Plot Controls':
1411	self.PickId = item
1412	self.Sngl = self.PatternTree.GetItemParent(item)
1413	data = self.PatternTree.GetItemPyData(item)
1414	UpdateHKLControls(self,data)
1415	G2plt.PlotSngl(self)
1416	elif self.PatternTree.GetItemText(item) == 'PDF Controls':
1417	self.PatternId = self.PatternTree.GetItemParent(item)
1418	self.ExportPDF.Enable(True)
1419	self.PickId = item
1420	data = self.PatternTree.GetItemPyData(item)
1421	G2pdG.UpdatePDFGrid(self,data)
1422	G2plt.PlotISFG(self,type='I(Q)')
1423	G2plt.PlotISFG(self,type='S(Q)')
1424	G2plt.PlotISFG(self,type='F(Q)')
1425	G2plt.PlotISFG(self,type='G(R)')
1426	elif self.PatternTree.GetItemText(item) == 'Peak List':
1427	self.PatternId = self.PatternTree.GetItemParent(item)
1428	self.ExportPeakList.Enable(True)
1429	self.PickId = item
1430	data = self.PatternTree.GetItemPyData(item)
1431	G2pdG.UpdatePeakGrid(self,data)
1432	G2plt.PlotPatterns(self)
1433	elif self.PatternTree.GetItemText(item) == 'Background':
1434	self.PatternId = self.PatternTree.GetItemParent(item)
1435	self.PickId = item
1436	data = self.PatternTree.GetItemPyData(item)
1437	G2pdG.UpdateBackgroundGrid(self,data)
1438	G2plt.PlotPatterns(self)
1439	elif self.PatternTree.GetItemText(item) == 'Limits':
1440	self.PatternId = self.PatternTree.GetItemParent(item)
1441	self.PickId = item
1442	data = self.PatternTree.GetItemPyData(item)
1443	G2pdG.UpdateLimitsGrid(self,data)
1444	G2plt.PlotPatterns(self)
1445	elif self.PatternTree.GetItemText(item) == 'Instrument Parameters':
1446	self.PatternId = self.PatternTree.GetItemParent(item)
1447	self.PickId = item
1448	data = self.PatternTree.GetItemPyData(item)
1449	G2pdG.UpdateInstrumentGrid(self,data)
1450	G2plt.PlotPeakWidths(self)
1451	elif self.PatternTree.GetItemText(item) == 'Sample Parameters':
1452	self.PatternId = self.PatternTree.GetItemParent(item)
1453	self.PickId = item
1454	data = self.PatternTree.GetItemPyData(item)
1455
1456	if 'Temperature' not in data: #temp fix for old gpx files
1457	data = {'Scale':[1.0,True],'Type':'Debye-Scherrer','Absorption':[0.0,False],'DisplaceX':[0.0,False],
1458	'DisplaceY':[0.0,False],'Diffuse':[],'Temperature':300.,'Pressure':1.0,'Humidity':0.0,'Voltage':0.0,
1459	'Force':0.0,'Gonio. radius':200.0}
1460	self.PatternTree.SetItemPyData(item,data)
1461
1462	G2pdG.UpdateSampleGrid(self,data)
1463	G2plt.PlotPatterns(self)
1464	elif self.PatternTree.GetItemText(item) == 'Index Peak List':
1465	self.PatternId = self.PatternTree.GetItemParent(item)
1466	self.ExportPeakList.Enable(True)
1467	self.PickId = item
1468	data = self.PatternTree.GetItemPyData(item)
1469	G2pdG.UpdateIndexPeaksGrid(self,data)
1470	if 'PKS' in self.PatternTree.GetItemText(self.PatternId):
1471	G2plt.PlotPowderLines(self)
1472	else:
1473	G2plt.PlotPatterns(self)
1474	elif self.PatternTree.GetItemText(item) == 'Unit Cells List':
1475	self.PatternId = self.PatternTree.GetItemParent(item)
1476	self.PickId = item
1477	data = self.PatternTree.GetItemPyData(item)
1478	if not data:
1479	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
1480	data.append([0,0,0,0,0,0,0,0,0,0,0,0,0,0]) #Bravais lattice flags
1481	data.append([]) #empty cell list
1482	data.append([]) #empty dmin
1483	self.PatternTree.SetItemPyData(item,data)
1484	G2pdG.UpdateUnitCellsGrid(self,data)
1485	if 'PKS' in self.PatternTree.GetItemText(self.PatternId):
1486	G2plt.PlotPowderLines(self)
1487	else:
1488	G2plt.PlotPatterns(self)
1489	elif self.PatternTree.GetItemText(item) == 'Reflection Lists':
1490	self.PatternId = self.PatternTree.GetItemParent(item)
1491	self.PickId = item
1492	data = self.PatternTree.GetItemPyData(item)
1493	self.RefList = ''
1494	if len(data):
1495	self.RefList = data.keys()[0]
1496	G2pdG.UpdateReflectionGrid(self,data)
1497	G2plt.PlotPatterns(self)
1498

Note: See TracBrowser for help on using the repository browser.

Download in other formats: