Context Navigation

source: branch/2frame/GSASIIIO.py @ 2907

Last change on this file since 2907 was 2907, checked in by toby, 6 years ago
tabbed phase panel done. More to go...
Property svn:eol-style set to `native` Property svn:keywords set to `Date Author Revision URL Id`
File size: 90.2 KB

Line
1	# -- coding: utf-8 --
2	########### SVN repository information ###################
3	# $Date: 2017-07-04 23:19:31 +0000 (Tue, 04 Jul 2017) $
4	# $Author: toby $
5	# $Revision: 2907 $
6	# $URL: branch/2frame/GSASIIIO.py $
7	# $Id: GSASIIIO.py 2907 2017-07-04 23:19:31Z toby $
8	########### SVN repository information ###################
9	'''
10	GSASIIIO: Misc I/O routines
11	=============================
12
13	Module with miscellaneous routines for input and output. Many
14	are GUI routines to interact with user.
15
16	Includes support for image reading.
17
18	Also includes base classes for data import routines.
19
20	This module needs some work to separate wx from non-wx routines
21	'''
22	"""GSASIIIO: functions for IO of data
23	Copyright: 2008, Robert B. Von Dreele (Argonne National Laboratory)
24	"""
25	import wx
26	import math
27	import numpy as np
28	import copy
29	import cPickle
30	import sys
31	import re
32	import random as ran
33	import GSASIIpath
34	GSASIIpath.SetVersionNumber("$Revision: 2907 $")
35	import GSASIIdataGUI as G2gd
36	import GSASIIobj as G2obj
37	import GSASIIlattice as G2lat
38	import GSASIImath as G2mth
39	import GSASIIpwdGUI as G2pdG
40	import GSASIIimgGUI as G2imG
41	import GSASIIimage as G2img
42	import GSASIIElem as G2el
43	import GSASIIstrIO as G2stIO
44	import GSASIImapvars as G2mv
45	import GSASIIctrlGUI as G2G
46	import os
47	import os.path as ospath
48
49	DEBUG = False #=True for various prints
50	TRANSP = False #=true to transpose images for testing
51	if GSASIIpath.GetConfigValue('Transpose'): TRANSP = True
52	npsind = lambda x: np.sin(x*np.pi/180.)
53
54	def sfloat(S):
55	'Convert a string to float. An empty field or a unconvertable value is treated as zero'
56	if S.strip():
57	try:
58	return float(S)
59	except ValueError:
60	pass
61	return 0.0
62
63	def sint(S):
64	'Convert a string to int. An empty field is treated as zero'
65	if S.strip():
66	return int(S)
67	else:
68	return 0
69
70	def trim(val):
71	'''Simplify a string containing leading and trailing spaces
72	as well as newlines, tabs, repeated spaces etc. into a shorter and
73	more simple string, by replacing all ranges of whitespace
74	characters with a single space.
75
76	:param str val: the string to be simplified
77
78	:returns: the (usually) shortened version of the string
79	'''
80	return re.sub('\s+', ' ', val).strip()
81
82	def makeInstDict(names,data,codes):
83	inst = dict(zip(names,zip(data,data,codes)))
84	for item in inst:
85	inst[item] = list(inst[item])
86	return inst
87
88	def FileDlgFixExt(dlg,file):
89	'this is needed to fix a problem in linux wx.FileDialog'
90	ext = dlg.GetWildcard().split('\|')[2dlg.GetFilterIndex()+1].strip('')
91	if ext not in file:
92	file += ext
93	return file
94
95	def GetPowderPeaks(fileName):
96	'Read powder peaks from a file'
97	sind = lambda x: math.sin(x*math.pi/180.)
98	asind = lambda x: 180.*math.asin(x)/math.pi
99	wave = 1.54052
100	File = open(fileName,'Ur')
101	Comments = []
102	peaks = []
103	S = File.readline()
104	while S:
105	if S[:1] == '#':
106	Comments.append(S[:-1])
107	else:
108	item = S.split()
109	if len(item) == 1:
110	peaks.append([float(item[0]),1.0])
111	elif len(item) > 1:
112	peaks.append([float(item[0]),float(item[0])])
113	S = File.readline()
114	File.close()
115	if Comments:
116	print 'Comments on file:'
117	for Comment in Comments:
118	print Comment
119	if 'wavelength' in Comment:
120	wave = float(Comment.split('=')[1])
121	Peaks = []
122	if peaks[0][0] > peaks[-1][0]: # d-spacings - assume CuKa
123	for peak in peaks:
124	dsp = peak[0]
125	sth = wave/(2.0*dsp)
126	if sth < 1.0:
127	tth = 2.0*asind(sth)
128	else:
129	break
130	Peaks.append([tth,peak[1],True,False,0,0,0,dsp,0.0])
131	else: #2-thetas - assume Cuka (for now)
132	for peak in peaks:
133	tth = peak[0]
134	dsp = wave/(2.0*sind(tth/2.0))
135	Peaks.append([tth,peak[1],True,False,0,0,0,dsp,0.0])
136	limits = [1000.,0.]
137	for peak in Peaks:
138	limits[0] = min(limits[0],peak[0])
139	limits[1] = max(limits[1],peak[0])
140	limits[0] = max(1.,(int(limits[0]-1.)/5)*5.)
141	limits[1] = min(170.,(int(limits[1]+1.)/5)*5.)
142	return Comments,Peaks,limits,wave
143
144	def GetCheckImageFile(G2frame,treeId):
145	'''Try to locate an image file if the project and image have been moved
146	together. If the image file cannot be found, request the location from
147	the user.
148
149	:param wx.Frame G2frame: main GSAS-II Frame and data object
150	:param wx.Id treeId: Id for the main tree item for the image
151	:returns: Npix,imagefile,imagetag with (Npix) number of pixels,
152	imagefile, if it exists, or the name of a file that does exist or False if the user presses Cancel
153	and (imagetag) an optional image number
154
155	'''
156	Npix,Imagefile,imagetag = G2frame.GPXtree.GetImageLoc(treeId)
157	if isinstance(Imagefile,list):
158	imagefile,imagetag = Imagefile
159	else:
160	imagefile = Imagefile
161	if not os.path.exists(imagefile):
162	print 'Image file '+imagefile+' not found'
163	fil = imagefile.replace('\\','/') # windows?!
164	# see if we can find a file with same name or in a similarly named sub-dir
165	pth,fil = os.path.split(fil)
166	prevpth = None
167	while pth and pth != prevpth:
168	prevpth = pth
169	if os.path.exists(os.path.join(G2frame.dirname,fil)):
170	print 'found image file '+os.path.join(G2frame.dirname,fil)
171	imagefile = os.path.join(G2frame.dirname,fil)
172	G2frame.GPXtree.UpdateImageLoc(treeId,imagefile)
173	return Npix,imagefile,imagetag
174	pth,enddir = os.path.split(pth)
175	fil = os.path.join(enddir,fil)
176	# not found as a subdirectory, drop common parts of path for last saved & image file names
177	# if image was .../A/B/C/imgs/ima.ge
178	# & GPX was .../A/B/C/refs/fil.gpx but is now .../NEW/TEST/TEST1
179	# will look for .../NEW/TEST/TEST1/imgs/ima.ge, .../NEW/TEST/imgs/ima.ge, .../NEW/imgs/ima.ge and so on
180	Controls = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.root, 'Controls'))
181	gpxPath = Controls.get('LastSavedAs','').replace('\\','/').split('/') # blank in older .GPX files
182	imgPath = imagefile.replace('\\','/').split('/')
183	for p1,p2 in zip(gpxPath,imgPath):
184	if p1 == p2:
185	gpxPath.pop(0),imgPath.pop(0)
186	else:
187	break
188	fil = os.path.join(*imgPath) # file with non-common prefix elements
189	prevpth = None
190	pth = os.path.abspath(G2frame.dirname)
191	while pth and pth != prevpth:
192	prevpth = pth
193	if os.path.exists(os.path.join(pth,fil)):
194	print 'found image file '+os.path.join(pth,fil)
195	imagefile = os.path.join(pth,fil)
196	G2frame.GPXtree.UpdateImageLoc(treeId,imagefile)
197	return Npix,imagefile,imagetag
198	pth,enddir = os.path.split(pth)
199	#GSASIIpath.IPyBreak()
200
201	if not os.path.exists(imagefile):
202	prevnam = os.path.split(imagefile)[1]
203	prevext = os.path.splitext(imagefile)[1]
204	wildcard = 'Image format ('+prevext+')\|'+prevext
205	dlg = wx.FileDialog(G2frame, 'Previous image file ('+prevnam+') not found; open here', '.', prevnam,
206	wildcard,wx.OPEN)
207	try:
208	dlg.SetFilename(''+ospath.split(imagefile)[1])
209	if dlg.ShowModal() == wx.ID_OK:
210	imagefile = dlg.GetPath()
211	G2frame.GPXtree.UpdateImageLoc(treeId,imagefile)
212	else:
213	imagefile = False
214	finally:
215	dlg.Destroy()
216	return Npix,imagefile,imagetag
217
218	def EditImageParms(parent,Data,Comments,Image,filename):
219	dlg = wx.Dialog(parent, wx.ID_ANY, 'Edit image parameters',
220	style=wx.DEFAULT_DIALOG_STYLE \| wx.RESIZE_BORDER)
221	def onClose(event):
222	dlg.EndModal(wx.ID_OK)
223	mainsizer = wx.BoxSizer(wx.VERTICAL)
224	h,w = Image.shape[:2]
225	mainsizer.Add(wx.StaticText(dlg,wx.ID_ANY,'File '+str(filename)+'\nImage size: '+str(h)+' x '+str(w)),
226	0,wx.ALIGN_LEFT\|wx.ALL, 2)
227
228	vsizer = wx.BoxSizer(wx.HORIZONTAL)
229	vsizer.Add(wx.StaticText(dlg,wx.ID_ANY,u'Wavelength (\xC5) '),
230	0,wx.ALIGN_LEFT\|wx.ALL, 2)
231	wdgt = G2G.ValidatedTxtCtrl(dlg,Data,'wavelength')
232	vsizer.Add(wdgt)
233	mainsizer.Add(vsizer,0,wx.ALIGN_LEFT\|wx.ALL, 2)
234
235	vsizer = wx.BoxSizer(wx.HORIZONTAL)
236	vsizer.Add(wx.StaticText(dlg,wx.ID_ANY,u'Pixel size (\xb5m). Width '),
237	0,wx.ALIGN_LEFT\|wx.ALL, 2)
238	wdgt = G2G.ValidatedTxtCtrl(dlg,Data['pixelSize'],0,
239	size=(50,-1))
240	vsizer.Add(wdgt)
241	vsizer.Add(wx.StaticText(dlg,wx.ID_ANY,u' Height '),wx.ALIGN_LEFT\|wx.ALL, 2)
242	wdgt = G2G.ValidatedTxtCtrl(dlg,Data['pixelSize'],1,size=(50,-1))
243	vsizer.Add(wdgt)
244	mainsizer.Add(vsizer,0,wx.ALIGN_LEFT\|wx.ALL, 2)
245
246	vsizer = wx.BoxSizer(wx.HORIZONTAL)
247	vsizer.Add(wx.StaticText(dlg,wx.ID_ANY,u'Sample to detector (mm) '),
248	0,wx.ALIGN_LEFT\|wx.ALL, 2)
249	wdgt = G2G.ValidatedTxtCtrl(dlg,Data,'distance')
250	vsizer.Add(wdgt)
251	mainsizer.Add(vsizer,0,wx.ALIGN_LEFT\|wx.ALL, 2)
252
253	vsizer = wx.BoxSizer(wx.HORIZONTAL)
254	vsizer.Add(wx.StaticText(dlg,wx.ID_ANY,u'Beam center (pixels). X = '),
255	0,wx.ALIGN_LEFT\|wx.ALL, 2)
256	wdgt = G2G.ValidatedTxtCtrl(dlg,Data['center'],0,size=(75,-1))
257	vsizer.Add(wdgt)
258	vsizer.Add(wx.StaticText(dlg,wx.ID_ANY,u' Y = '),wx.ALIGN_LEFT\|wx.ALL, 2)
259	wdgt = G2G.ValidatedTxtCtrl(dlg,Data['center'],1,size=(75,-1))
260	vsizer.Add(wdgt)
261	mainsizer.Add(vsizer,0,wx.ALIGN_LEFT\|wx.ALL, 2)
262
263	vsizer = wx.BoxSizer(wx.HORIZONTAL)
264	vsizer.Add(wx.StaticText(dlg,wx.ID_ANY,u'Comments '),
265	0,wx.ALIGN_LEFT\|wx.ALL, 2)
266	wdgt = G2G.ValidatedTxtCtrl(dlg,Comments,0,size=(250,-1))
267	vsizer.Add(wdgt)
268	mainsizer.Add(vsizer,0,wx.ALIGN_LEFT\|wx.ALL, 2)
269
270	btnsizer = wx.StdDialogButtonSizer()
271	OKbtn = wx.Button(dlg, wx.ID_OK, 'Continue')
272	OKbtn.SetDefault()
273	OKbtn.Bind(wx.EVT_BUTTON,onClose)
274	btnsizer.AddButton(OKbtn) # not sure why this is needed
275	btnsizer.Realize()
276	mainsizer.Add(btnsizer, 1, wx.ALIGN_CENTER\|wx.ALL\|wx.EXPAND, 5)
277	dlg.SetSizer(mainsizer)
278	dlg.CenterOnParent()
279	dlg.ShowModal()
280
281	def LoadImage2Tree(imagefile,G2frame,Comments,Data,Npix,Image):
282	'''Load an image into the tree. Saves the location of the image, as well as the
283	ImageTag (where there is more than one image in the file), if defined.
284	'''
285	ImgNames = G2gd.GetGPXtreeDataNames(G2frame,['IMG ',])
286	TreeLbl = 'IMG '+os.path.basename(imagefile)
287	ImageTag = Data.get('ImageTag')
288	if ImageTag:
289	TreeLbl += ' #'+'%04d'%(ImageTag)
290	imageInfo = (imagefile,ImageTag)
291	else:
292	imageInfo = imagefile
293	TreeName = G2obj.MakeUniqueLabel(TreeLbl,ImgNames)
294	Id = G2frame.GPXtree.AppendItem(parent=G2frame.root,text=TreeName)
295	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Comments'),Comments)
296	Imax = np.amax(Image)
297	if G2frame.imageDefault:
298	Data = copy.copy(G2frame.imageDefault)
299	Data['showLines'] = True
300	Data['ring'] = []
301	Data['rings'] = []
302	Data['cutoff'] = 10
303	Data['pixLimit'] = 20
304	Data['edgemin'] = 100000000
305	Data['calibdmin'] = 0.5
306	Data['calibskip'] = 0
307	Data['ellipses'] = []
308	Data['calibrant'] = ''
309	Data['GonioAngles'] = [0.,0.,0.]
310	Data['DetDepthRef'] = False
311	else:
312	Data['type'] = 'PWDR'
313	Data['color'] = GSASIIpath.GetConfigValue('Contour_color','Paired')
314	Data['tilt'] = 0.0
315	Data['rotation'] = 0.0
316	Data['showLines'] = False
317	Data['ring'] = []
318	Data['rings'] = []
319	Data['cutoff'] = 10
320	Data['pixLimit'] = 20
321	Data['calibdmin'] = 0.5
322	Data['calibskip'] = 0
323	Data['edgemin'] = 100000000
324	Data['ellipses'] = []
325	Data['GonioAngles'] = [0.,0.,0.]
326	Data['DetDepth'] = 0.
327	Data['DetDepthRef'] = False
328	Data['calibrant'] = ''
329	Data['IOtth'] = [2.0,5.0]
330	Data['LRazimuth'] = [0.,180.]
331	Data['azmthOff'] = 0.0
332	Data['outChannels'] = 2500
333	Data['outAzimuths'] = 1
334	Data['centerAzm'] = False
335	Data['fullIntegrate'] = False
336	Data['setRings'] = False
337	Data['background image'] = ['',-1.0]
338	Data['dark image'] = ['',-1.0]
339	Data['Flat Bkg'] = 0.0
340	Data['setDefault'] = False
341	Data['range'] = [(0,Imax),[0,Imax]]
342	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Image Controls'),Data)
343	Masks = {'Points':[],'Rings':[],'Arcs':[],'Polygons':[],'Frames':[],'Thresholds':[(0,Imax),[0,Imax]]}
344	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Masks'),Masks)
345	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Stress/Strain'),
346	{'Type':'True','d-zero':[],'Sample phi':0.0,'Sample z':0.0,'Sample load':0.0})
347	G2frame.GPXtree.SetItemPyData(Id,[Npix,imageInfo])
348	G2frame.PickId = Id
349	G2frame.PickIdText = G2frame.GetTreeItemsList(G2frame.PickId)
350	G2frame.Image = Id
351
352	def GetImageData(G2frame,imagefile,imageOnly=False,ImageTag=None,FormatName=''):
353	'''Read a single image with an image importer.
354
355	:param wx.Frame G2frame: main GSAS-II Frame and data object.
356	:param str imagefile: name of image file
357	:param bool imageOnly: If True return only the image,
358	otherwise (default) return more (see below)
359	:param int/str ImageTag: specifies a particular image to be read from a file.
360	First image is read if None (default).
361	:param str formatName: the image reader formatName
362
363	:returns: an image as a numpy array or a list of four items:
364	Comments, Data, Npix and the Image, as selected by imageOnly
365
366	'''
367	# determine which formats are compatible with this file
368	primaryReaders = []
369	secondaryReaders = []
370	for rd in G2frame.ImportImageReaderlist:
371	flag = rd.ExtensionValidator(imagefile)
372	if flag is None:
373	secondaryReaders.append(rd)
374	elif flag:
375	if not FormatName:
376	primaryReaders.append(rd)
377	elif FormatName == rd.formatName:
378	primaryReaders.append(rd)
379	if len(secondaryReaders) + len(primaryReaders) == 0:
380	print('Error: No matching format for file '+imagefile)
381	raise Exception('No image read')
382	fp = None
383	errorReport = ''
384	if not imagefile:
385	return
386	fp = open(imagefile,'Ur')
387	for rd in primaryReaders+secondaryReaders:
388	rd.ReInitialize() # purge anything from a previous read
389	fp.seek(0) # rewind
390	rd.errors = "" # clear out any old errors
391	if not rd.ContentsValidator(fp): # rejected on cursory check
392	errorReport += "\n "+rd.formatName + ' validator error'
393	if rd.errors:
394	errorReport += ': '+rd.errors
395	continue
396	if imageOnly:
397	ParentFrame = None # prevent GUI access on reread
398	else:
399	ParentFrame = G2frame
400	if GSASIIpath.GetConfigValue('debug'):
401	flag = rd.Reader(imagefile,fp,ParentFrame,blocknum=ImageTag)
402	else:
403	flag = False
404	try:
405	flag = rd.Reader(imagefile,fp,ParentFrame,blocknum=ImageTag)
406	except rd.ImportException as detail:
407	rd.errors += "\n Read exception: "+str(detail)
408	except Exception as detail:
409	import traceback
410	rd.errors += "\n Unhandled read exception: "+str(detail)
411	rd.errors += "\n Traceback info:\n"+str(traceback.format_exc())
412	if flag: # this read succeeded
413	if rd.Image is None:
414	raise Exception('No image read. Strange!')
415	if GSASIIpath.GetConfigValue('Transpose'):
416	print 'Transposing Image!'
417	rd.Image = rd.Image.T
418	#rd.readfilename = imagefile
419	if imageOnly:
420	return rd.Image
421	else:
422	return rd.Comments,rd.Data,rd.Npix,rd.Image
423	else:
424	print('Error reading file '+imagefile)
425	print('Error messages(s)\n'+errorReport)
426	raise Exception('No image read')
427
428	def ReadImages(G2frame,imagefile):
429	'''Read one or more images from a file and put them into the Tree
430	using image importers. Called only in :meth:`AutoIntFrame.OnTimerLoop`.
431
432	:param wx.Frame G2frame: main GSAS-II Frame and data object.
433	:param str imagefile: name of image file
434
435	:returns: a list of the id's of the IMG tree items created
436	'''
437	# determine which formats are compatible with this file
438	primaryReaders = []
439	secondaryReaders = []
440	for rd in G2frame.ImportImageReaderlist:
441	flag = rd.ExtensionValidator(imagefile)
442	if flag is None:
443	secondaryReaders.append(rd)
444	elif flag:
445	primaryReaders.append(rd)
446	if len(secondaryReaders) + len(primaryReaders) == 0:
447	print('Error: No matching format for file '+imagefile)
448	raise Exception('No image read')
449	errorReport = ''
450	fp = open(imagefile,'Ur')
451	rdbuffer = {} # create temporary storage for file reader
452	for rd in primaryReaders+secondaryReaders:
453	rd.ReInitialize() # purge anything from a previous read
454	fp.seek(0) # rewind
455	rd.errors = "" # clear out any old errors
456	if not rd.ContentsValidator(fp): # rejected on cursory check
457	errorReport += "\n "+rd.formatName + ' validator error'
458	if rd.errors:
459	errorReport += ': '+rd.errors
460	continue
461	ParentFrame = G2frame
462	block = 0
463	repeat = True
464	CreatedIMGitems = []
465	while repeat: # loop if the reader asks for another pass on the file
466	block += 1
467	repeat = False
468	if GSASIIpath.GetConfigValue('debug'):
469	flag = rd.Reader(imagefile,fp,ParentFrame,blocknum=block,Buffer=rdbuffer)
470	else:
471	flag = False
472	try:
473	flag = rd.Reader(imagefile,fp,ParentFrame,blocknum=block,Buffer=rdbuffer)
474	except rd.ImportException as detail:
475	rd.errors += "\n Read exception: "+str(detail)
476	except Exception as detail:
477	import traceback
478	rd.errors += "\n Unhandled read exception: "+str(detail)
479	rd.errors += "\n Traceback info:\n"+str(traceback.format_exc())
480	if flag: # this read succeeded
481	if rd.Image is None:
482	raise Exception('No image read. Strange!')
483	if GSASIIpath.GetConfigValue('Transpose'):
484	print 'Transposing Image!'
485	rd.Image = rd.Image.T
486	rd.Data['ImageTag'] = rd.repeatcount
487	LoadImage2Tree(imagefile,G2frame,rd.Comments,rd.Data,rd.Npix,rd.Image)
488	repeat = rd.repeat
489	CreatedIMGitems.append(G2frame.Image)
490	if CreatedIMGitems: return CreatedIMGitems
491	else:
492	print('Error reading file '+imagefile)
493	print('Error messages(s)\n'+errorReport)
494	return []
495	#raise Exception('No image read')
496
497	def SaveMultipleImg(G2frame):
498	if not G2frame.GPXtree.GetCount():
499	print 'no images!'
500	return
501	choices = G2gd.GetGPXtreeDataNames(G2frame,['IMG ',])
502	if len(choices) == 1:
503	names = choices
504	else:
505	dlg = G2G.G2MultiChoiceDialog(G2frame,'Stress/Strain fitting','Select images to fit:',choices)
506	dlg.SetSelections([])
507	names = []
508	if dlg.ShowModal() == wx.ID_OK:
509	names = [choices[sel] for sel in dlg.GetSelections()]
510	dlg.Destroy()
511	if not names: return
512	for name in names:
513	Id = G2gd.GetGPXtreeItemId(G2frame, G2frame.root, name)
514	Npix,imagefile,imagetag = G2frame.GPXtree.GetImageLoc(Id)
515	imroot = os.path.splitext(imagefile)[0]
516	if imagetag:
517	imroot += '_' + str(imagetag)
518	Data = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,Id, 'Image Controls'))
519	print('Writing '+imroot+'.imctrl')
520	File = open(imroot+'.imctrl','w')
521	keys = ['type','wavelength','calibrant','distance','center',
522	'tilt','rotation','azmthOff','fullIntegrate','LRazimuth',
523	'IOtth','outChannels','outAzimuths','invert_x','invert_y','DetDepth',
524	'calibskip','pixLimit','cutoff','calibdmin','chisq','Flat Bkg',
525	'binType','SampleShape','PolaVal','SampleAbs','dark image','background image']
526	for key in keys:
527	if key not in Data: continue #uncalibrated!
528	File.write(key+':'+str(Data[key])+'\n')
529	File.close()
530	mask = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,Id, 'Masks'))
531	G2imG.CleanupMasks(mask)
532	print('Writing '+imroot+'.immask')
533	File = open(imroot+'.immask','w')
534	for key in ['Points','Rings','Arcs','Polygons','Frames','Thresholds']:
535	File.write(key+':'+str(mask[key])+'\n')
536	File.close()
537
538	def PutG2Image(filename,Comments,Data,Npix,image):
539	'Write an image as a python pickle - might be better as an .edf file?'
540	File = open(filename,'wb')
541	cPickle.dump([Comments,Data,Npix,image],File,1)
542	File.close()
543	return
544
545	def ProjFileOpen(G2frame,showProvenance=True):
546	'Read a GSAS-II project file and load into the G2 data tree'
547	if not os.path.exists(G2frame.GSASprojectfile):
548	print ('\n*** Error attempt to open project file that does not exist:\n '+
549	str(G2frame.GSASprojectfile))
550	return
551	LastSavedUsing = None
552	file = open(G2frame.GSASprojectfile,'rb')
553	if showProvenance: print 'loading from file: ',G2frame.GSASprojectfile
554	G2frame.SetTitle("GSAS-II data tree: "+
555	os.path.split(G2frame.GSASprojectfile)[1])
556	wx.BeginBusyCursor()
557	try:
558	while True:
559	try:
560	data = cPickle.load(file)
561	except EOFError:
562	break
563	datum = data[0]
564
565	Id = G2frame.GPXtree.AppendItem(parent=G2frame.root,text=datum[0])
566	if datum[0].startswith('PWDR'):
567	if 'ranId' not in datum[1][0]: # patch: add random Id if not present
568	datum[1][0]['ranId'] = ran.randint(0,sys.maxint)
569	G2frame.GPXtree.SetItemPyData(Id,datum[1][:3]) #temp. trim off junk (patch?)
570	elif datum[0].startswith('HKLF'):
571	if 'ranId' not in datum[1][0]: # patch: add random Id if not present
572	datum[1][0]['ranId'] = ran.randint(0,sys.maxint)
573	G2frame.GPXtree.SetItemPyData(Id,datum[1])
574	else:
575	G2frame.GPXtree.SetItemPyData(Id,datum[1])
576	if datum[0] == 'Controls' and 'LastSavedUsing' in datum[1]:
577	LastSavedUsing = datum[1]['LastSavedUsing']
578	if datum[0] == 'Controls' and 'PythonVersions' in datum[1] and GSASIIpath.GetConfigValue('debug') and showProvenance:
579	print('Packages used to create .GPX file:')
580	if 'dict' in str(type(datum[1]['PythonVersions'])): #patch
581	for p in sorted(datum[1]['PythonVersions'],key=lambda s: s.lower()):
582	print(" {:<14s}: {:s}".format(p[0],p[1]))
583	else:
584	for p in datum[1]['PythonVersions']:
585	print(" {:<12s} {:s}".format(p[0]+':',p[1]))
586	oldPDF = False
587	for datus in data[1:]:
588	#patch - 1/23/17 PDF cleanup
589	if datus[0][:4] in ['I(Q)','S(Q)','F(Q)','G(R)']:
590	oldPDF = True
591	data[1][1][datus[0][:4]] = copy.deepcopy(datus[1][:2])
592	continue
593	#end PDF cleanup
594	sub = G2frame.GPXtree.AppendItem(Id,datus[0])
595	#patch
596	if datus[0] == 'Instrument Parameters' and len(datus[1]) == 1:
597	if datum[0].startswith('PWDR'):
598	datus[1] = [dict(zip(datus[1][3],zip(datus[1][0],datus[1][1],datus[1][2]))),{}]
599	else:
600	datus[1] = [dict(zip(datus[1][2],zip(datus[1][0],datus[1][1]))),{}]
601	for item in datus[1][0]: #zip makes tuples - now make lists!
602	datus[1][0][item] = list(datus[1][0][item])
603	#end patch
604	G2frame.GPXtree.SetItemPyData(sub,datus[1])
605	if 'PDF ' in datum[0][:4] and oldPDF:
606	sub = G2frame.GPXtree.AppendItem(Id,'PDF Peaks')
607	G2frame.GPXtree.SetItemPyData(sub,{'Limits':[1.,5.],'Background':[2,[0.,-0.2*np.pi],False],'Peaks':[]})
608	if datum[0].startswith('IMG'): #retrieve image default flag & data if set
609	Data = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,Id,'Image Controls'))
610	if Data['setDefault']:
611	G2frame.imageDefault = Data
612	file.close()
613	if LastSavedUsing:
614	print('GPX load successful. Last saved with GSAS-II revision '+LastSavedUsing)
615	else:
616	print('project load successful')
617	G2frame.NewPlot = True
618	except:
619	msg = wx.MessageDialog(G2frame,message="Error reading file "+
620	str(G2frame.GSASprojectfile)+". This is not a GSAS-II .gpx file",
621	caption="Load Error",style=wx.ICON_ERROR \| wx.OK \| wx.STAY_ON_TOP)
622	msg.ShowModal()
623	finally:
624	wx.EndBusyCursor()
625	G2frame.Status.SetStatusText('Mouse RB click item to refresh/raise; RB drag/drop to reorder')
626
627	def ProjFileSave(G2frame):
628	'Save a GSAS-II project file'
629	if not G2frame.GPXtree.IsEmpty():
630	file = open(G2frame.GSASprojectfile,'wb')
631	print 'save to file: ',G2frame.GSASprojectfile
632	# stick the file name into the tree and version info into tree so they are saved.
633	# (Controls should always be created at this point)
634	try:
635	Controls = G2frame.GPXtree.GetItemPyData(
636	G2gd.GetGPXtreeItemId(G2frame,G2frame.root, 'Controls'))
637	Controls['LastSavedAs'] = os.path.abspath(G2frame.GSASprojectfile)
638	Controls['LastSavedUsing'] = str(GSASIIpath.GetVersionNumber())
639	Controls['PythonVersions'] = G2frame.PackageVersions
640	except:
641	pass
642	wx.BeginBusyCursor()
643	try:
644	item, cookie = G2frame.GPXtree.GetFirstChild(G2frame.root)
645	while item:
646	data = []
647	name = G2frame.GPXtree.GetItemText(item)
648	data.append([name,G2frame.GPXtree.GetItemPyData(item)])
649	item2, cookie2 = G2frame.GPXtree.GetFirstChild(item)
650	while item2:
651	name = G2frame.GPXtree.GetItemText(item2)
652	data.append([name,G2frame.GPXtree.GetItemPyData(item2)])
653	item2, cookie2 = G2frame.GPXtree.GetNextChild(item, cookie2)
654	item, cookie = G2frame.GPXtree.GetNextChild(G2frame.root, cookie)
655	cPickle.dump(data,file,1)
656	file.close()
657	pth = os.path.split(os.path.abspath(G2frame.GSASprojectfile))[0]
658	if GSASIIpath.GetConfigValue('Save_paths'): G2G.SaveGPXdirectory(pth)
659	G2frame.LastGPXdir = pth
660	finally:
661	wx.EndBusyCursor()
662	print('project save successful')
663
664	def SaveIntegration(G2frame,PickId,data,Overwrite=False):
665	'Save image integration results as powder pattern(s)'
666	azms = G2frame.Integrate[1]
667	X = G2frame.Integrate[2][:-1]
668	N = len(X)
669	Id = G2frame.GPXtree.GetItemParent(PickId)
670	name = G2frame.GPXtree.GetItemText(Id)
671	name = name.replace('IMG ',data['type']+' ')
672	Comments = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,Id, 'Comments'))
673	if 'PWDR' in name:
674	names = ['Type','Lam','Zero','Polariz.','U','V','W','X','Y','SH/L','Azimuth']
675	codes = [0 for i in range(11)]
676	elif 'SASD' in name:
677	names = ['Type','Lam','Zero','Azimuth']
678	codes = [0 for i in range(4)]
679	X = 4.np.pinpsind(X/2.)/data['wavelength'] #convert to q
680	Xminmax = [X[0],X[-1]]
681	Azms = []
682	dazm = 0.
683	if data['fullIntegrate'] and data['outAzimuths'] == 1:
684	Azms = [45.0,] #a poor man's average?
685	else:
686	for i,azm in enumerate(azms[:-1]):
687	if azm > 360. and azms[i+1] > 360.:
688	Azms.append(G2img.meanAzm(azm%360.,azms[i+1]%360.))
689	else:
690	Azms.append(G2img.meanAzm(azm,azms[i+1]))
691	dazm = np.min(np.abs(np.diff(azms)))/2.
692	G2frame.IntgOutList = []
693	for i,azm in enumerate(azms[:-1]):
694	Aname = name+" Azm= %.2f"%((azm+dazm)%360.)
695	item, cookie = G2frame.GPXtree.GetFirstChild(G2frame.root)
696	# if Overwrite delete any duplicate
697	if Overwrite and G2gd.GetGPXtreeItemId(G2frame,G2frame.root,Aname):
698	print('Replacing '+Aname)
699	item = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,Aname)
700	G2frame.GPXtree.Delete(item)
701	else:
702	nOcc = 0
703	while item:
704	Name = G2frame.GPXtree.GetItemText(item)
705	if Aname in Name:
706	nOcc += 1
707	item, cookie = G2frame.GPXtree.GetNextChild(G2frame.root, cookie)
708	if nOcc:
709	Aname += '(%d)'%(nOcc)
710	Sample = G2obj.SetDefaultSample() #set as Debye-Scherrer
711	Sample['Gonio. radius'] = data['distance']
712	Sample['Omega'] = data['GonioAngles'][0]
713	Sample['Chi'] = data['GonioAngles'][1]
714	Sample['Phi'] = data['GonioAngles'][2]
715	Sample['Azimuth'] = (azm+dazm)%360. #put here as bin center
716	polariz = 0.99 #set default polarization for synchrotron radiation!
717	for item in Comments:
718	if 'polariz' in item:
719	try:
720	polariz = float(item.split('=')[1])
721	except:
722	polariz = 0.99
723	if 'PWDR' in Aname:
724	parms = ['PXC',data['wavelength'],0.0,polariz,1.0,-0.10,0.4,0.30,1.0,0.0001,Azms[i]]
725	elif 'SASD' in Aname:
726	Sample['Trans'] = data['SampleAbs'][0]
727	parms = ['LXC',data['wavelength'],0.0,Azms[i]]
728	Y = G2frame.Integrate[0][i]
729	Ymin = np.min(Y)
730	Ymax = np.max(Y)
731	W = np.where(Y>0.,1./Y,1.e-6) #probably not true
732	Id = G2frame.GPXtree.AppendItem(parent=G2frame.root,text=Aname)
733	G2frame.IntgOutList.append(Id)
734	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Comments'),Comments)
735	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Limits'),[tuple(Xminmax),Xminmax])
736	if 'PWDR' in Aname:
737	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Background'),[['chebyschev',1,3,1.0,0.0,0.0],
738	{'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[]}])
739	inst = [dict(zip(names,zip(parms,parms,codes))),{}]
740	for item in inst[0]:
741	inst[0][item] = list(inst[0][item])
742	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Instrument Parameters'),inst)
743	if 'PWDR' in Aname:
744	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Sample Parameters'),Sample)
745	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Peak List'),{'sigDict':{},'peaks':[]})
746	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Index Peak List'),[[],[]])
747	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Unit Cells List'),[])
748	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Reflection Lists'),{})
749	elif 'SASD' in Aname:
750	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Substances'),G2pdG.SetDefaultSubstances())
751	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Sample Parameters'),Sample)
752	G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Models'),G2pdG.SetDefaultSASDModel())
753	valuesdict = {
754	'wtFactor':1.0,
755	'Dummy':False,
756	'ranId':ran.randint(0,sys.maxint),
757	'Offset':[0.0,0.0],'delOffset':0.02Ymax,'refOffset':-0.1Ymax,'refDelt':0.1*Ymax,
758	'qPlot':False,'dPlot':False,'sqrtPlot':False,'Yminmax':[Ymin,Ymax]
759	}
760	G2frame.GPXtree.SetItemPyData(
761	Id,[valuesdict,
762	[np.array(X),np.array(Y),np.array(W),np.zeros(N),np.zeros(N),np.zeros(N)]])
763	return Id #last powder pattern generated
764
765	def XYsave(G2frame,XY,labelX='X',labelY='Y',names=None):
766	'Save XY table data'
767	pth = G2G.GetExportPath(G2frame)
768	dlg = wx.FileDialog(
769	G2frame, 'Enter csv filename for XY table', pth, '',
770	'XY table file (.csv)\|.csv',wx.FD_SAVE\|wx.FD_OVERWRITE_PROMPT)
771	try:
772	if dlg.ShowModal() == wx.ID_OK:
773	filename = dlg.GetPath()
774	filename = os.path.splitext(filename)[0]+'.csv'
775	File = open(filename,'w')
776	else:
777	filename = None
778	finally:
779	dlg.Destroy()
780	if not filename:
781	return
782	for i in range(len(XY)):
783	if names != None:
784	header = '%s,%s(%s)\n'%(labelX,labelY,names[i])
785	else:
786	header = '%s,%s(%d)\n'%(labelX,labelY,i)
787	File.write(header)
788	for x,y in XY[i].T:
789	File.write('%.3f,%.3f\n'%(x,y))
790	File.close()
791	print ' XY data saved to: ',filename
792
793	def PDFSave(G2frame,exports,PDFsaves):
794	'Save a PDF I(Q), S(Q), F(Q) and G(r) in column formats'
795	import scipy.interpolate as scintp
796	for export in exports:
797	PickId = G2gd.GetGPXtreeItemId(G2frame, G2frame.root, export)
798	PDFControls = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame, PickId,'PDF Controls'))
799	if PDFsaves[0]: #I(Q)
800	iqfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.iq')
801	iqdata = PDFControls['I(Q)'][0]
802	iqfxn = scintp.interp1d(iqdata[0],iqdata[1],kind='linear')
803	iqfile = open(iqfilename,'w')
804	iqfile.write('#T I(Q) %s\n'%(export))
805	iqfile.write('#L Q I(Q)\n')
806	qnew = np.arange(iqdata[0][0],iqdata[0][-1],0.005)
807	iqnew = zip(qnew,iqfxn(qnew))
808	for q,iq in iqnew:
809	iqfile.write("%15.6g %15.6g\n" % (q,iq))
810	iqfile.close()
811	print ' I(Q) saved to: ',iqfilename
812
813	if PDFsaves[1]: #S(Q)
814	sqfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.sq')
815	sqdata = PDFControls['S(Q)'][1]
816	sqfxn = scintp.interp1d(sqdata[0],sqdata[1],kind='linear')
817	sqfile = open(sqfilename,'w')
818	sqfile.write('#T S(Q) %s\n'%(export))
819	sqfile.write('#L Q S(Q)\n')
820	qnew = np.arange(sqdata[0][0],sqdata[0][-1],0.005)
821	sqnew = zip(qnew,sqfxn(qnew))
822	for q,sq in sqnew:
823	sqfile.write("%15.6g %15.6g\n" % (q,sq))
824	sqfile.close()
825	print ' S(Q) saved to: ',sqfilename
826
827	if PDFsaves[2]: #F(Q)
828	fqfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.fq')
829	fqdata = PDFControls['F(Q)'][1]
830	fqfxn = scintp.interp1d(fqdata[0],fqdata[1],kind='linear')
831	fqfile = open(sqfilename,'w')
832	fqfile.write('#T F(Q) %s\n'%(export))
833	fqfile.write('#L Q F(Q)\n')
834	qnew = np.arange(sqdata[0][0],sqdata[0][-1],0.005)
835	fqnew = zip(qnew,fqfxn(qnew))
836	for q,fq in fqnew:
837	fqfile.write("%15.6g %15.6g\n" % (q,fq))
838	fqfile.close()
839	print ' F(Q) saved to: ',fqfilename
840
841	if PDFsaves[3]: #G(R)
842	grfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.gr')
843	grdata = PDFControls['G(R)'][1]
844	grfxn = scintp.interp1d(grdata[0],grdata[1],kind='linear')
845	grfile = open(grfilename,'w')
846	grfile.write('#T G(R) %s\n'%(export))
847	grfile.write('#L R G(R)\n')
848	rnew = np.arange(grdata[0][0],grdata[0][-1],0.010)
849	grnew = zip(rnew,grfxn(rnew))
850	for r,gr in grnew:
851	grfile.write("%15.6g %15.6g\n" % (r,gr))
852	grfile.close()
853	print ' G(R) saved to: ',grfilename
854
855	if PDFsaves[4]: #pdfGUI file for G(R)
856	pId = G2gd.GetGPXtreeItemId(G2frame, G2frame.root, 'PWDR'+export[4:])
857	Inst = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame, pId,'Instrument Parameters'))[0]
858	Limits = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame, pId,'Limits'))
859	grfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.gr')
860	grdata = PDFControls['G(R)'][1]
861	qdata = PDFControls['I(Q)'][1][0]
862	grfxn = scintp.interp1d(grdata[0],grdata[1],kind='linear')
863	grfile = open(grfilename,'w')
864	rnew = np.arange(grdata[0][0],grdata[0][-1],0.010)
865	grnew = zip(rnew,grfxn(rnew))
866
867	grfile.write('[DEFAULT]\n')
868	grfile.write('\n')
869	grfile.write('version = GSAS-II-v'+str(GSASIIpath.GetVersionNumber())+'\n')
870	grfile.write('\n')
871	grfile.write('# input and output specifications\n')
872	grfile.write('dataformat = Qnm\n')
873	grfile.write('inputfile = %s\n'%(PDFControls['Sample']['Name']))
874	grfile.write('backgroundfile = %s\n'%(PDFControls['Sample Bkg.']['Name']))
875	grfile.write('outputtype = gr\n')
876	grfile.write('\n')
877	grfile.write('# PDF calculation setup\n')
878	if 'x' in Inst['Type']:
879	grfile.write('mode = %s\n'%('xray'))
880	elif 'N' in Inst['Type']:
881	grfile.write('mode = %s\n'%('neutron'))
882	wave = G2mth.getMeanWave(Inst)
883	grfile.write('wavelength = %.5f\n'%(wave))
884	formula = ''
885	for el in PDFControls['ElList']:
886	formula += el
887	num = PDFControls['ElList'][el]['FormulaNo']
888	if num == round(num):
889	formula += '%d'%(int(num))
890	else:
891	formula += '%.2f'%(num)
892	grfile.write('composition = %s\n'%(formula))
893	grfile.write('bgscale = %.3f\n'%(-PDFControls['Sample Bkg.']['Mult']))
894	highQ = 2.*np.pi/G2lat.Pos2dsp(Inst,Limits[1][1])
895	grfile.write('qmaxinst = %.2f\n'%(highQ))
896	grfile.write('qmin = %.5f\n'%(qdata[0]))
897	grfile.write('qmax = %.4f\n'%(qdata[-1]))
898	grfile.write('rmin = %.2f\n'%(PDFControls['Rmin']))
899	grfile.write('rmax = %.2f\n'%(PDFControls['Rmax']))
900	grfile.write('rstep = 0.01\n')
901
902
903	grfile.write('\n')
904	grfile.write('# End of config '+63*'-')
905	grfile.write('\n')
906	grfile.write('#### start data\n')
907	grfile.write('#S 1\n')
908	grfile.write('#L r($\AA$) G($\AA^{-2}$)\n')
909	for r,gr in grnew:
910	grfile.write("%15.2F %15.6F\n" % (r,gr))
911	grfile.close()
912	print ' G(R) saved to: ',grfilename
913
914	def PeakListSave(G2frame,file,peaks):
915	'Save powder peaks to a data file'
916	print 'save peak list to file: ',G2frame.peaklistfile
917	if not peaks:
918	dlg = wx.MessageDialog(G2frame, 'No peaks!', 'Nothing to save!', wx.OK)
919	try:
920	dlg.ShowModal()
921	finally:
922	dlg.Destroy()
923	return
924	for peak in peaks:
925	file.write("%10.4f %12.2f %10.3f %10.3f \n" % \
926	(peak[0],peak[2],peak[4],peak[6]))
927	print 'peak list saved'
928
929	def IndexPeakListSave(G2frame,peaks):
930	'Save powder peaks from the indexing list'
931	file = open(G2frame.peaklistfile,'wa')
932	print 'save index peak list to file: ',G2frame.peaklistfile
933	wx.BeginBusyCursor()
934	try:
935	if not peaks:
936	dlg = wx.MessageDialog(G2frame, 'No peaks!', 'Nothing to save!', wx.OK)
937	try:
938	dlg.ShowModal()
939	finally:
940	dlg.Destroy()
941	return
942	for peak in peaks:
943	file.write("%12.6f\n" % (peak[7]))
944	file.close()
945	finally:
946	wx.EndBusyCursor()
947	print 'index peak list saved'
948
949	class MultipleChoicesDialog(wx.Dialog):
950	'''A dialog that offers a series of choices, each with a
951	title and a wx.Choice widget. Intended to be used Modally.
952	typical input:
953
954	* choicelist=[ ('a','b','c'), ('test1','test2'),('no choice',)]
955	* headinglist = [ 'select a, b or c', 'select 1 of 2', 'No option here']
956
957	selections are placed in self.chosen when OK is pressed
958
959	Also see GSASIIctrlGUI
960	'''
961	def __init__(self,choicelist,headinglist,
962	head='Select options',
963	title='Please select from options below',
964	parent=None):
965	self.chosen = []
966	wx.Dialog.__init__(
967	self,parent,wx.ID_ANY,head,
968	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
969	panel = wx.Panel(self)
970	mainSizer = wx.BoxSizer(wx.VERTICAL)
971	mainSizer.Add((10,10),1)
972	topLabl = wx.StaticText(panel,wx.ID_ANY,title)
973	mainSizer.Add(topLabl,0,wx.ALIGN_CENTER_VERTICAL\|wx.CENTER,10)
974	self.ChItems = []
975	for choice,lbl in zip(choicelist,headinglist):
976	mainSizer.Add((10,10),1)
977	self.chosen.append(0)
978	topLabl = wx.StaticText(panel,wx.ID_ANY,' '+lbl)
979	mainSizer.Add(topLabl,0,wx.ALIGN_LEFT,10)
980	self.ChItems.append(wx.Choice(self, wx.ID_ANY, (100, 50), choices = choice))
981	mainSizer.Add(self.ChItems[-1],0,wx.ALIGN_CENTER,10)
982
983	OkBtn = wx.Button(panel,-1,"Ok")
984	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
985	cancelBtn = wx.Button(panel,-1,"Cancel")
986	cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
987	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
988	btnSizer.Add((20,20),1)
989	btnSizer.Add(OkBtn)
990	btnSizer.Add((20,20),1)
991	btnSizer.Add(cancelBtn)
992	btnSizer.Add((20,20),1)
993	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
994	panel.SetSizer(mainSizer)
995	panel.Fit()
996	self.Fit()
997
998	def OnOk(self,event):
999	parent = self.GetParent()
1000	if parent is not None: parent.Raise()
1001	# save the results from the choice widgets
1002	self.chosen = []
1003	for w in self.ChItems:
1004	self.chosen.append(w.GetSelection())
1005	self.EndModal(wx.ID_OK)
1006
1007	def OnCancel(self,event):
1008	parent = self.GetParent()
1009	if parent is not None: parent.Raise()
1010	self.chosen = []
1011	self.EndModal(wx.ID_CANCEL)
1012
1013	def ExtractFileFromZip(filename, selection=None, confirmread=True,
1014	confirmoverwrite=True, parent=None,
1015	multipleselect=False):
1016	'''If the filename is a zip file, extract a file from that
1017	archive.
1018
1019	:param list Selection: used to predefine the name of the file
1020	to be extracted. Filename case and zip directory name are
1021	ignored in selection; the first matching file is used.
1022
1023	:param bool confirmread: if True asks the user to confirm before expanding
1024	the only file in a zip
1025
1026	:param bool confirmoverwrite: if True asks the user to confirm
1027	before overwriting if the extracted file already exists
1028
1029	:param bool multipleselect: if True allows more than one zip
1030	file to be extracted, a list of file(s) is returned.
1031	If only one file is present, do not ask which one, otherwise
1032	offer a list of choices (unless selection is used).
1033
1034	:returns: the name of the file that has been created or a
1035	list of files (see multipleselect)
1036
1037	If the file is not a zipfile, return the name of the input file.
1038	If the zipfile is empty or no file has been selected, return None
1039	'''
1040	import zipfile # do this now, since we can save startup time by doing this only on need
1041	import shutil
1042	zloc = os.path.split(filename)[0]
1043	if not zipfile.is_zipfile(filename):
1044	#print("not zip")
1045	return filename
1046
1047	z = zipfile.ZipFile(filename,'r')
1048	zinfo = z.infolist()
1049
1050	if len(zinfo) == 0:
1051	#print('Zip has no files!')
1052	zlist = [-1]
1053	if selection:
1054	choices = [os.path.split(i.filename)[1].lower() for i in zinfo]
1055	if selection.lower() in choices:
1056	zlist = [choices.index(selection.lower())]
1057	else:
1058	print('debug: file '+str(selection)+' was not found in '+str(filename))
1059	zlist = [-1]
1060	elif len(zinfo) == 1 and confirmread:
1061	result = wx.ID_NO
1062	dlg = wx.MessageDialog(
1063	parent,
1064	'Is file '+str(zinfo[0].filename)+
1065	' what you want to extract from '+
1066	str(os.path.split(filename)[1])+'?',
1067	'Confirm file',
1068	wx.YES_NO \| wx.ICON_QUESTION)
1069	try:
1070	result = dlg.ShowModal()
1071	finally:
1072	dlg.Destroy()
1073	if result == wx.ID_NO:
1074	zlist = [-1]
1075	else:
1076	zlist = [0]
1077	elif len(zinfo) == 1:
1078	zlist = [0]
1079	elif multipleselect:
1080	# select one or more from a from list
1081	choices = [i.filename for i in zinfo]
1082	dlg = G2G.G2MultiChoiceDialog(parent,'Select file(s) to extract from zip file '+str(filename),
1083	'Choose file(s)',choices)
1084	if dlg.ShowModal() == wx.ID_OK:
1085	zlist = dlg.GetSelections()
1086	else:
1087	zlist = []
1088	dlg.Destroy()
1089	else:
1090	# select one from a from list
1091	choices = [i.filename for i in zinfo]
1092	dlg = wx.SingleChoiceDialog(parent,
1093	'Select file to extract from zip file'+str(filename),'Choose file',
1094	choices,)
1095	if dlg.ShowModal() == wx.ID_OK:
1096	zlist = [dlg.GetSelection()]
1097	else:
1098	zlist = [-1]
1099	dlg.Destroy()
1100
1101	outlist = []
1102	for zindex in zlist:
1103	if zindex >= 0:
1104	efil = os.path.join(zloc, os.path.split(zinfo[zindex].filename)[1])
1105	if os.path.exists(efil) and confirmoverwrite:
1106	result = wx.ID_NO
1107	dlg = wx.MessageDialog(parent,
1108	'File '+str(efil)+' already exists. OK to overwrite it?',
1109	'Confirm overwrite',wx.YES_NO \| wx.ICON_QUESTION)
1110	try:
1111	result = dlg.ShowModal()
1112	finally:
1113	dlg.Destroy()
1114	if result == wx.ID_NO:
1115	zindex = -1
1116	if zindex >= 0:
1117	# extract the file to the current directory, regardless of it's original path
1118	#z.extract(zinfo[zindex],zloc)
1119	eloc,efil = os.path.split(zinfo[zindex].filename)
1120	outfile = os.path.join(zloc, efil)
1121	fpin = z.open(zinfo[zindex])
1122	fpout = file(outfile, "wb")
1123	shutil.copyfileobj(fpin, fpout)
1124	fpin.close()
1125	fpout.close()
1126	outlist.append(outfile)
1127	z.close()
1128	if multipleselect and len(outlist) >= 1:
1129	return outlist
1130	elif len(outlist) == 1:
1131	return outlist[0]
1132	else:
1133	return None
1134
1135	######################################################################
1136	# base classes for reading various types of data files
1137	# not used directly, only by subclassing
1138	######################################################################
1139	def BlockSelector(ChoiceList, ParentFrame=None,title='Select a block',
1140	size=None, header='Block Selector',useCancel=True):
1141	''' Provide a wx dialog to select a block if the file contains more
1142	than one set of data and one must be selected
1143	'''
1144	if useCancel:
1145	dlg = wx.SingleChoiceDialog(
1146	ParentFrame,title, header,ChoiceList)
1147	else:
1148	dlg = wx.SingleChoiceDialog(
1149	ParentFrame,title, header,ChoiceList,
1150	style=wx.DEFAULT_DIALOG_STYLE\|wx.RESIZE_BORDER\|wx.OK\|wx.CENTRE)
1151	if size: dlg.SetSize(size)
1152	dlg.CenterOnParent()
1153	if dlg.ShowModal() == wx.ID_OK:
1154	sel = dlg.GetSelection()
1155	return sel
1156	else:
1157	return None
1158	dlg.Destroy()
1159
1160	def MultipleBlockSelector(ChoiceList, ParentFrame=None,
1161	title='Select a block',size=None, header='Block Selector'):
1162	'''Provide a wx dialog to select a block of data if the
1163	file contains more than one set of data and one must be
1164	selected.
1165
1166	:returns: a list of the selected blocks
1167	'''
1168	dlg = wx.MultiChoiceDialog(ParentFrame,title, header,ChoiceList+['Select all'],
1169	wx.CHOICEDLG_STYLE)
1170	dlg.CenterOnScreen()
1171	if size: dlg.SetSize(size)
1172	if dlg.ShowModal() == wx.ID_OK:
1173	sel = dlg.GetSelections()
1174	else:
1175	return []
1176	dlg.Destroy()
1177	selected = []
1178	if len(ChoiceList) in sel:
1179	return range(len(ChoiceList))
1180	else:
1181	return sel
1182	return selected
1183
1184	def MultipleChoicesSelector(choicelist, headinglist, ParentFrame=None, **kwargs):
1185	'''A modal dialog that offers a series of choices, each with a title and a wx.Choice
1186	widget. Typical input:
1187
1188	* choicelist=[ ('a','b','c'), ('test1','test2'),('no choice',)]
1189
1190	* headinglist = [ 'select a, b or c', 'select 1 of 2', 'No option here']
1191
1192	optional keyword parameters are: head (window title) and title
1193	returns a list of selected indicies for each choice (or None)
1194	'''
1195	result = None
1196	dlg = MultipleChoicesDialog(choicelist,headinglist,
1197	parent=ParentFrame, **kwargs)
1198	dlg.CenterOnParent()
1199	if dlg.ShowModal() == wx.ID_OK:
1200	result = dlg.chosen
1201	dlg.Destroy()
1202	return result
1203
1204	def PhaseSelector(ChoiceList, ParentFrame=None,
1205	title='Select a phase', size=None,header='Phase Selector'):
1206	''' Provide a wx dialog to select a phase if the file contains more
1207	than one phase
1208	'''
1209	return BlockSelector(ChoiceList,ParentFrame,title,
1210	size,header)
1211
1212	######################################################################
1213	def striphist(var,insChar=''):
1214	'strip a histogram number from a var name'
1215	sv = var.split(':')
1216	if len(sv) <= 1: return var
1217	if sv[1]:
1218	sv[1] = insChar
1219	return ':'.join(sv)
1220	class ExportBaseclass(object):
1221	'''Defines a base class for the exporting of GSAS-II results.
1222
1223	This class is subclassed in the various exports/G2export_*.py files. Those files
1224	are imported in :meth:`GSASIIdataGUI.GSASII._init_Exports` which defines the
1225	appropriate menu items for each one and the .Exporter method is called
1226	directly from the menu item.
1227
1228	Routines may also define a .Writer method, which is used to write a single
1229	file without invoking any GUI objects.
1230	'''
1231	def __init__(self,G2frame,formatName,extension,longFormatName=None,):
1232	self.G2frame = G2frame
1233	self.formatName = formatName # short string naming file type
1234	self.extension = extension
1235	if longFormatName: # longer string naming file type
1236	self.longFormatName = longFormatName
1237	else:
1238	self.longFormatName = formatName
1239	self.OverallParms = {}
1240	self.Phases = {}
1241	self.Histograms = {}
1242	self.powderDict = {}
1243	self.xtalDict = {}
1244	self.parmDict = {}
1245	self.sigDict = {}
1246	# updated in InitExport:
1247	self.currentExportType = None # type of export that has been requested
1248	# updated in ExportSelect (when used):
1249	self.phasenam = None # a list of selected phases
1250	self.histnam = None # a list of selected histograms
1251	self.filename = None # name of file to be written (single export) or template (multiple files)
1252	self.dirname = '' # name of directory where file(s) will be written
1253	self.fullpath = '' # name of file being written -- full path
1254
1255	# items that should be defined in a subclass of this class
1256	self.exporttype = [] # defines the type(s) of exports that the class can handle.
1257	# The following types are defined: 'project', "phase", "powder", "single"
1258	self.multiple = False # set as True if the class can export multiple phases or histograms
1259	# self.multiple is ignored for "project" exports
1260
1261	def InitExport(self,event):
1262	'''Determines the type of menu that called the Exporter and
1263	misc initialization.
1264	'''
1265	self.filename = None # name of file to be written (single export)
1266	self.dirname = '' # name of file to be written (multiple export)
1267	if event:
1268	self.currentExportType = self.G2frame.ExportLookup.get(event.Id)
1269
1270	def MakePWDRfilename(self,hist):
1271	'''Make a filename root (no extension) from a PWDR histogram name
1272
1273	:param str hist: the histogram name in data tree (starts with "PWDR ")
1274	'''
1275	file0 = ''
1276	file1 = hist[5:]
1277	# replace repeated blanks
1278	while file1 != file0:
1279	file0 = file1
1280	file1 = file0.replace(' ',' ').strip()
1281	file0 = file1.replace('Azm= ','A')
1282	# if angle has unneeded decimal places on aziumuth, remove them
1283	if file0[-3:] == '.00': file0 = file0[:-3]
1284	file0 = file0.replace('.','_')
1285	file0 = file0.replace(' ','_')
1286	return file0
1287
1288	def ExportSelect(self,AskFile='ask'):
1289	'''Selects histograms or phases when needed. Sets a default file name when
1290	requested into self.filename; always sets a default directory in self.dirname.
1291
1292	:param bool AskFile: Determines how this routine processes getting a
1293	location to store the current export(s).
1294
1295	* if AskFile is 'ask' (default option), get the name of the file to be written;
1296	self.filename and self.dirname are always set. In the case where
1297	multiple files must be generated, the export routine should do this
1298	based on self.filename as a template.
1299	* if AskFile is 'dir', get the name of the directory to be used;
1300	self.filename is not used, but self.dirname is always set. The export routine
1301	will always generate the file name.
1302	* if AskFile is 'single', get only the name of the directory to be used when
1303	multiple items will be written (as multiple files) are used
1304	or a complete file name is requested when a single file
1305	name is selected. self.dirname is always set and self.filename used
1306	only when a single file is selected.
1307	* if AskFile is 'default', creates a name of the file to be used from
1308	the name of the project (.gpx) file. If the project has not been saved,
1309	then the name of file is requested.
1310	self.filename and self.dirname are always set. In the case where
1311	multiple file names must be generated, the export routine should do this
1312	based on self.filename.
1313	* if AskFile is 'default-dir', sets self.dirname from the project (.gpx)
1314	file. If the project has not been saved, then a directory is requested.
1315	self.filename is not used.
1316
1317	:returns: True in case of an error
1318	'''
1319
1320	numselected = 1
1321	if self.currentExportType == 'phase':
1322	if len(self.Phases) == 0:
1323	self.G2frame.ErrorDialog(
1324	'Empty project',
1325	'Project does not contain any phases.')
1326	return True
1327	elif len(self.Phases) == 1:
1328	self.phasenam = self.Phases.keys()
1329	elif self.multiple:
1330	choices = sorted(self.Phases.keys())
1331	phasenum = G2G.ItemSelector(choices,self.G2frame,multiple=True)
1332	if phasenum is None: return True
1333	self.phasenam = [choices[i] for i in phasenum]
1334	if not self.phasenam: return True
1335	numselected = len(self.phasenam)
1336	else:
1337	choices = sorted(self.Phases.keys())
1338	phasenum = G2G.ItemSelector(choices,self.G2frame)
1339	if phasenum is None: return True
1340	self.phasenam = [choices[phasenum]]
1341	numselected = len(self.phasenam)
1342	elif self.currentExportType == 'single':
1343	if len(self.xtalDict) == 0:
1344	self.G2frame.ErrorDialog(
1345	'Empty project',
1346	'Project does not contain any single crystal data.')
1347	return True
1348	elif len(self.xtalDict) == 1:
1349	self.histnam = self.xtalDict.values()
1350	elif self.multiple:
1351	choices = sorted(self.xtalDict.values())
1352	hnum = G2G.ItemSelector(choices,self.G2frame,multiple=True)
1353	if not hnum: return True
1354	self.histnam = [choices[i] for i in hnum]
1355	numselected = len(self.histnam)
1356	else:
1357	choices = sorted(self.xtalDict.values())
1358	hnum = G2G.ItemSelector(choices,self.G2frame)
1359	if hnum is None: return True
1360	self.histnam = [choices[hnum]]
1361	numselected = len(self.histnam)
1362	elif self.currentExportType == 'powder':
1363	if len(self.powderDict) == 0:
1364	self.G2frame.ErrorDialog(
1365	'Empty project',
1366	'Project does not contain any powder data.')
1367	return True
1368	elif len(self.powderDict) == 1:
1369	self.histnam = self.powderDict.values()
1370	elif self.multiple:
1371	choices = sorted(self.powderDict.values())
1372	hnum = G2G.ItemSelector(choices,self.G2frame,multiple=True)
1373	if not hnum: return True
1374	self.histnam = [choices[i] for i in hnum]
1375	numselected = len(self.histnam)
1376	else:
1377	choices = sorted(self.powderDict.values())
1378	hnum = G2G.ItemSelector(choices,self.G2frame)
1379	if hnum is None: return True
1380	self.histnam = [choices[hnum]]
1381	numselected = len(self.histnam)
1382	elif self.currentExportType == 'image':
1383	if len(self.Histograms) == 0:
1384	self.G2frame.ErrorDialog(
1385	'Empty project',
1386	'Project does not contain any images.')
1387	return True
1388	elif len(self.Histograms) == 1:
1389	self.histnam = self.Histograms.keys()
1390	else:
1391	choices = sorted(self.Histograms.keys())
1392	hnum = G2G.ItemSelector(choices,self.G2frame,multiple=self.multiple)
1393	if self.multiple:
1394	if not hnum: return True
1395	self.histnam = [choices[i] for i in hnum]
1396	else:
1397	if hnum is None: return True
1398	self.histnam = [choices[hnum]]
1399	numselected = len(self.histnam)
1400	if self.currentExportType == 'map':
1401	# search for phases with maps
1402	mapPhases = []
1403	choices = []
1404	for phasenam in sorted(self.Phases):
1405	phasedict = self.Phases[phasenam] # pointer to current phase info
1406	if len(phasedict['General']['Map'].get('rho',[])):
1407	mapPhases.append(phasenam)
1408	if phasedict['General']['Map'].get('Flip'):
1409	choices.append('Charge flip map: '+str(phasenam))
1410	elif phasedict['General']['Map'].get('MapType'):
1411	choices.append(
1412	str(phasedict['General']['Map'].get('MapType'))
1413	+ ' map: ' + str(phasenam))
1414	else:
1415	choices.append('unknown map: '+str(phasenam))
1416	# select a map if needed
1417	if len(mapPhases) == 0:
1418	self.G2frame.ErrorDialog(
1419	'Empty project',
1420	'Project does not contain any maps.')
1421	return True
1422	elif len(mapPhases) == 1:
1423	self.phasenam = mapPhases
1424	else:
1425	phasenum = G2G.ItemSelector(choices,self.G2frame,multiple=self.multiple)
1426	if self.multiple:
1427	if not phasenum: return True
1428	self.phasenam = [mapPhases[i] for i in phasenum]
1429	else:
1430	if phasenum is None: return True
1431	self.phasenam = [mapPhases[phasenum]]
1432	numselected = len(self.phasenam)
1433
1434	# items selected, now set self.dirname and usually self.filename
1435	if AskFile == 'ask' or (AskFile == 'single' and numselected == 1) or (
1436	AskFile == 'default' and not self.G2frame.GSASprojectfile
1437	):
1438	filename = self.askSaveFile()
1439	if not filename: return True
1440	self.dirname,self.filename = os.path.split(filename)
1441	elif AskFile == 'dir' or AskFile == 'single' or (
1442	AskFile == 'default-dir' and not self.G2frame.GSASprojectfile
1443	):
1444	self.dirname = self.askSaveDirectory()
1445	if not self.dirname: return True
1446	elif AskFile == 'default-dir' or AskFile == 'default':
1447	self.dirname,self.filename = os.path.split(
1448	os.path.splitext(self.G2frame.GSASprojectfile)[0] + self.extension
1449	)
1450	else:
1451	raise Exception('This should not happen!')
1452
1453	def loadParmDict(self):
1454	'''Load the GSAS-II refinable parameters from the tree into a dict (self.parmDict). Update
1455	refined values to those from the last cycle and set the uncertainties for the
1456	refined parameters in another dict (self.sigDict).
1457
1458	Expands the parm & sig dicts to include values derived from constraints.
1459	'''
1460	self.parmDict = {}
1461	self.sigDict = {}
1462	rigidbodyDict = {}
1463	covDict = {}
1464	consDict = {}
1465	Histograms,Phases = self.G2frame.GetUsedHistogramsAndPhasesfromTree()
1466	if self.G2frame.GPXtree.IsEmpty(): return # nothing to do
1467	item, cookie = self.G2frame.GPXtree.GetFirstChild(self.G2frame.root)
1468	while item:
1469	name = self.G2frame.GPXtree.GetItemText(item)
1470	if name == 'Rigid bodies':
1471	rigidbodyDict = self.G2frame.GPXtree.GetItemPyData(item)
1472	elif name == 'Covariance':
1473	covDict = self.G2frame.GPXtree.GetItemPyData(item)
1474	elif name == 'Constraints':
1475	consDict = self.G2frame.GPXtree.GetItemPyData(item)
1476	item, cookie = self.G2frame.GPXtree.GetNextChild(self.G2frame.root, cookie)
1477	rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,Print=False)
1478	self.parmDict.update(rbDict)
1479	rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
1480	Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,MFtables,maxSSwave = G2stIO.GetPhaseData(
1481	Phases,RestraintDict=None,rbIds=rbIds,Print=False)
1482	self.parmDict.update(phaseDict)
1483	hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(
1484	Phases,Histograms,Print=False,resetRefList=False)
1485	self.parmDict.update(hapDict)
1486	histVary,histDict,controlDict = G2stIO.GetHistogramData(Histograms,Print=False)
1487	self.parmDict.update(histDict)
1488	self.parmDict.update(zip(
1489	covDict.get('varyList',[]),
1490	covDict.get('variables',[])))
1491	self.sigDict = dict(zip(
1492	covDict.get('varyList',[]),
1493	covDict.get('sig',[])))
1494	# expand to include constraints: first compile a list of constraints
1495	constList = []
1496	for item in consDict:
1497	if item.startswith('_'): continue
1498	constList += consDict[item]
1499	# now process the constraints
1500	G2mv.InitVars()
1501	constDict,fixedList,ignored = G2stIO.ProcessConstraints(constList)
1502	varyList = covDict.get('varyListStart')
1503	if varyList is None and len(constDict) == 0:
1504	# no constraints can use varyList
1505	varyList = covDict.get('varyList')
1506	elif varyList is None:
1507	# old GPX file from before pre-constraint varyList is saved
1508	print ' * Old refinement: Please use Calculate/Refine to redo *'
1509	raise Exception(' * Export aborted *')
1510	else:
1511	varyList = list(varyList)
1512	try:
1513	groups,parmlist = G2mv.GroupConstraints(constDict)
1514	G2mv.GenerateConstraints(groups,parmlist,varyList,constDict,fixedList,self.parmDict)
1515	except:
1516	# this really should not happen
1517	print ' * ERROR - constraints are internally inconsistent *'
1518	errmsg, warnmsg = G2mv.CheckConstraints(varyList,constDict,fixedList)
1519	print 'Errors',errmsg
1520	if warnmsg: print 'Warnings',warnmsg
1521	raise Exception(' * CIF creation aborted *')
1522	# add the constrained values to the parameter dictionary
1523	G2mv.Dict2Map(self.parmDict,varyList)
1524	# and add their uncertainties into the esd dictionary (sigDict)
1525	if covDict.get('covMatrix') is not None:
1526	self.sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],covDict['varyList'],self.parmDict))
1527
1528	def loadTree(self):
1529	'''Load the contents of the data tree into a set of dicts
1530	(self.OverallParms, self.Phases and self.Histogram as well as self.powderDict
1531	& self.xtalDict)
1532
1533	* The childrenless data tree items are overall parameters/controls for the
1534	entire project and are placed in self.OverallParms
1535	* Phase items are placed in self.Phases
1536	* Data items are placed in self.Histogram. The key for these data items
1537	begin with a keyword, such as PWDR, IMG, HKLF,... that identifies the data type.
1538	'''
1539	self.OverallParms = {}
1540	self.powderDict = {}
1541	self.xtalDict = {}
1542	self.Phases = {}
1543	self.Histograms = {}
1544	self.SeqRefdata = None
1545	self.SeqRefhist = None
1546	if self.G2frame.GPXtree.IsEmpty(): return # nothing to do
1547	histType = None
1548	if self.currentExportType == 'phase':
1549	# if exporting phases load them here
1550	sub = G2gd.GetGPXtreeItemId(self.G2frame,self.G2frame.root,'Phases')
1551	if not sub:
1552	print 'no phases found'
1553	return True
1554	item, cookie = self.G2frame.GPXtree.GetFirstChild(sub)
1555	while item:
1556	phaseName = self.G2frame.GPXtree.GetItemText(item)
1557	self.Phases[phaseName] = self.G2frame.GPXtree.GetItemPyData(item)
1558	item, cookie = self.G2frame.GPXtree.GetNextChild(sub, cookie)
1559	return
1560	elif self.currentExportType == 'single':
1561	histType = 'HKLF'
1562	elif self.currentExportType == 'powder':
1563	histType = 'PWDR'
1564	elif self.currentExportType == 'image':
1565	histType = 'IMG'
1566
1567	if histType: # Loading just one kind of tree entry
1568	item, cookie = self.G2frame.GPXtree.GetFirstChild(self.G2frame.root)
1569	while item:
1570	name = self.G2frame.GPXtree.GetItemText(item)
1571	if name.startswith(histType):
1572	if self.Histograms.get(name): # there is already an item with this name
1573	print('Histogram name '+str(name)+' is repeated. Renaming')
1574	if name[-1] == '9':
1575	name = name[:-1] + '10'
1576	elif name[-1] in '012345678':
1577	name = name[:-1] + str(int(name[-1])+1)
1578	else:
1579	name += '-1'
1580	self.Histograms[name] = {}
1581	# the main info goes into Data, but the 0th
1582	# element contains refinement results, carry
1583	# that over too now.
1584	self.Histograms[name]['Data'] = self.G2frame.GPXtree.GetItemPyData(item)[1]
1585	self.Histograms[name][0] = self.G2frame.GPXtree.GetItemPyData(item)[0]
1586	item2, cookie2 = self.G2frame.GPXtree.GetFirstChild(item)
1587	while item2:
1588	child = self.G2frame.GPXtree.GetItemText(item2)
1589	self.Histograms[name][child] = self.G2frame.GPXtree.GetItemPyData(item2)
1590	item2, cookie2 = self.G2frame.GPXtree.GetNextChild(item, cookie2)
1591	item, cookie = self.G2frame.GPXtree.GetNextChild(self.G2frame.root, cookie)
1592	# index powder and single crystal histograms by number
1593	for hist in self.Histograms:
1594	if hist.startswith("PWDR"):
1595	d = self.powderDict
1596	elif hist.startswith("HKLF"):
1597	d = self.xtalDict
1598	else:
1599	return
1600	i = self.Histograms[hist].get('hId')
1601	if i is None and not d.keys():
1602	i = 0
1603	elif i is None or i in d.keys():
1604	i = max(d.keys())+1
1605	d[i] = hist
1606	return
1607	# else standard load: using all interlinked phases and histograms
1608	self.Histograms,self.Phases = self.G2frame.GetUsedHistogramsAndPhasesfromTree()
1609	item, cookie = self.G2frame.GPXtree.GetFirstChild(self.G2frame.root)
1610	while item:
1611	name = self.G2frame.GPXtree.GetItemText(item)
1612	item2, cookie2 = self.G2frame.GPXtree.GetFirstChild(item)
1613	if not item2:
1614	self.OverallParms[name] = self.G2frame.GPXtree.GetItemPyData(item)
1615	item, cookie = self.G2frame.GPXtree.GetNextChild(self.G2frame.root, cookie)
1616	# index powder and single crystal histograms
1617	for hist in self.Histograms:
1618	i = self.Histograms[hist]['hId']
1619	if hist.startswith("PWDR"):
1620	self.powderDict[i] = hist
1621	elif hist.startswith("HKLF"):
1622	self.xtalDict[i] = hist
1623
1624	def dumpTree(self,mode='type'):
1625	'''Print out information on the data tree dicts loaded in loadTree.
1626	Used for testing only.
1627	'''
1628	if self.SeqRefdata and self.SeqRefhist:
1629	print('Note that dumpTree does not show sequential results')
1630	print '\nOverall'
1631	if mode == 'type':
1632	def Show(arg): return type(arg)
1633	else:
1634	def Show(arg): return arg
1635	for key in self.OverallParms:
1636	print ' ',key,Show(self.OverallParms[key])
1637	print 'Phases'
1638	for key1 in self.Phases:
1639	print ' ',key1,Show(self.Phases[key1])
1640	print 'Histogram'
1641	for key1 in self.Histograms:
1642	print ' ',key1,Show(self.Histograms[key1])
1643	for key2 in self.Histograms[key1]:
1644	print ' ',key2,Show(self.Histograms[key1][key2])
1645
1646	def defaultSaveFile(self):
1647	return os.path.abspath(
1648	os.path.splitext(self.G2frame.GSASprojectfile
1649	)[0]+self.extension)
1650
1651	def askSaveFile(self):
1652	'''Ask the user to supply a file name
1653
1654	:returns: a file name (str) or None if Cancel is pressed
1655	'''
1656
1657	pth = G2G.GetExportPath(self.G2frame)
1658	defnam = os.path.splitext(
1659	os.path.split(self.G2frame.GSASprojectfile)[1]
1660	)[0]+self.extension
1661	dlg = wx.FileDialog(
1662	self.G2frame, 'Input name for file to write', pth, defnam,
1663	self.longFormatName+' ('+self.extension+')\|'+self.extension,
1664	wx.FD_SAVE\|wx.FD_OVERWRITE_PROMPT)
1665	dlg.CenterOnParent()
1666	try:
1667	if dlg.ShowModal() == wx.ID_OK:
1668	filename = dlg.GetPath()
1669	self.G2frame.LastExportDir = os.path.split(filename)[0]
1670	filename = os.path.splitext(filename)[0]+self.extension # make sure extension is correct
1671	else:
1672	filename = None
1673	finally:
1674	dlg.Destroy()
1675	return filename
1676
1677	def askSaveDirectory(self):
1678	'''Ask the user to supply a directory name. Path name is used as the
1679	starting point for the next export path search.
1680
1681	:returns: a directory name (str) or None if Cancel is pressed
1682	'''
1683	pth = G2G.GetExportPath(self.G2frame)
1684	dlg = wx.DirDialog(
1685	self.G2frame, 'Input directory where file(s) will be written', pth,
1686	wx.DD_DEFAULT_STYLE)
1687	dlg.CenterOnParent()
1688	try:
1689	if dlg.ShowModal() == wx.ID_OK:
1690	filename = dlg.GetPath()
1691	self.G2frame.LastExportDir = filename
1692	else:
1693	filename = None
1694	finally:
1695	dlg.Destroy()
1696	return filename
1697
1698	# Tools for file writing.
1699	def OpenFile(self,fil=None,mode='w'):
1700	'''Open the output file
1701
1702	:param str fil: The name of the file to open. If None (default)
1703	the name defaults to self.dirname + self.filename.
1704	If an extension is supplied, it is not overridded,
1705	but if not, the default extension is used.
1706	:returns: the file object opened by the routine which is also
1707	saved as self.fp
1708	'''
1709	if mode == 'd': # debug mode
1710	self.fullpath = '(stdout)'
1711	self.fp = sys.stdout
1712	return
1713	if not fil:
1714	if not os.path.splitext(self.filename)[1]:
1715	self.filename += self.extension
1716	fil = os.path.join(self.dirname,self.filename)
1717	self.fullpath = os.path.abspath(fil)
1718	self.fp = open(self.fullpath,mode)
1719	return self.fp
1720
1721	def Write(self,line):
1722	'''write a line of output, attaching a line-end character
1723
1724	:param str line: the text to be written.
1725	'''
1726	self.fp.write(line+'\n')
1727
1728	def CloseFile(self,fp=None):
1729	'''Close a file opened in OpenFile
1730
1731	:param file fp: the file object to be closed. If None (default)
1732	file object self.fp is closed.
1733	'''
1734	if self.fp == sys.stdout: return # debug mode
1735	if fp is None:
1736	fp = self.fp
1737	self.fp = None
1738	if fp is not None: fp.close()
1739
1740	def SetSeqRef(self,data,hist):
1741	'''Set the exporter to retrieve results from a sequential refinement
1742	rather than the main tree
1743	'''
1744	self.SeqRefdata = data
1745	self.SeqRefhist = hist
1746	data_name = data[hist]
1747	for i,val in zip(data_name['varyList'],data_name['sig']):
1748	self.sigDict[i] = val
1749	self.sigDict[striphist(i)] = val
1750	for i in data_name['parmDict']:
1751	self.parmDict[striphist(i)] = data_name['parmDict'][i]
1752	self.parmDict[i] = data_name['parmDict'][i]
1753	# zero out the dA[xyz] terms, they would only bring confusion
1754	key = i.split(':')
1755	if len(key) < 3: continue
1756	if key[2].startswith('dA'):
1757	self.parmDict[i] = 0.0
1758	for i,(val,sig) in data_name.get('depParmDict',{}).iteritems():
1759	self.parmDict[i] = val
1760	self.sigDict[i] = sig
1761	#GSASIIpath.IPyBreak()
1762
1763	# Tools to pull information out of the data arrays
1764	def GetCell(self,phasenam):
1765	"""Gets the unit cell parameters and their s.u.'s for a selected phase
1766
1767	:param str phasenam: the name for the selected phase
1768	:returns: `cellList,cellSig` where each is a 7 element list corresponding
1769	to a, b, c, alpha, beta, gamma, volume where `cellList` has the
1770	cell values and `cellSig` has their uncertainties.
1771	"""
1772	if self.SeqRefdata and self.SeqRefhist:
1773	return self.GetSeqCell(phasenam,self.SeqRefdata[self.SeqRefhist])
1774	phasedict = self.Phases[phasenam] # pointer to current phase info
1775	try:
1776	pfx = str(phasedict['pId'])+'::'
1777	A,sigA = G2stIO.cellFill(pfx,phasedict['General']['SGData'],self.parmDict,self.sigDict)
1778	cellSig = G2stIO.getCellEsd(pfx,phasedict['General']['SGData'],A,
1779	self.OverallParms['Covariance']) # returns 7 vals, includes sigVol
1780	cellList = G2lat.A2cell(A) + (G2lat.calc_V(A),)
1781	return cellList,cellSig
1782	except KeyError:
1783	cell = phasedict['General']['Cell'][1:]
1784	return cell,7*[0]
1785
1786	def GetSeqCell(self,phasenam,data_name):
1787	"""Gets the unit cell parameters and their s.u.'s for a selected phase
1788	and histogram in a sequential fit
1789
1790	:param str phasenam: the name for the selected phase
1791	:param dict data_name: the sequential refinement parameters for the selected histogram
1792	:returns: `cellList,cellSig` where each is a 7 element list corresponding
1793	to a, b, c, alpha, beta, gamma, volume where `cellList` has the
1794	cell values and `cellSig` has their uncertainties.
1795	"""
1796	phasedict = self.Phases[phasenam]
1797	SGdata = phasedict['General']['SGData']
1798	pId = phasedict['pId']
1799	RecpCellTerms = G2lat.cell2A(phasedict['General']['Cell'][1:7])
1800	ESDlookup = {}
1801	Dlookup = {}
1802	varied = [striphist(i) for i in data_name['varyList']]
1803	for item,val in data_name['newCellDict'].iteritems():
1804	if item in varied:
1805	ESDlookup[val[0]] = item
1806	Dlookup[item] = val[0]
1807	A = RecpCellTerms[:]
1808	for i in range(6):
1809	var = str(pId)+'::A'+str(i)
1810	if var in ESDlookup:
1811	A[i] = data_name['newCellDict'][ESDlookup[var]][1] # override with refined value
1812	cellDict = dict(zip([str(pId)+'::A'+str(i) for i in range(6)],A))
1813	zeroDict = {i:0.0 for i in cellDict}
1814	A,zeros = G2stIO.cellFill(str(pId)+'::',SGdata,cellDict,zeroDict)
1815	covData = {
1816	'varyList': [Dlookup.get(striphist(v),v) for v in data_name['varyList']],
1817	'covMatrix': data_name['covMatrix']
1818	}
1819	return list(G2lat.A2cell(A)) + [G2lat.calc_V(A)], G2stIO.getCellEsd(str(pId)+'::',SGdata,A,covData)
1820
1821	def GetAtoms(self,phasenam):
1822	"""Gets the atoms associated with a phase. Can be used with standard
1823	or macromolecular phases
1824
1825	:param str phasenam: the name for the selected phase
1826	:returns: a list of items for eac atom where each item is a list containing:
1827	label, typ, mult, xyz, and td, where
1828
1829	* label and typ are the atom label and the scattering factor type (str)
1830	* mult is the site multiplicity (int)
1831	* xyz is contains a list with four pairs of numbers:
1832	x, y, z and fractional occupancy and
1833	their standard uncertainty (or a negative value)
1834	* td is contains a list with either one or six pairs of numbers:
1835	if one number it is U\ :sub:`iso` and with six numbers it is
1836	U\ :sub:`11`, U\ :sub:`22`, U\ :sub:`33`, U\ :sub:`12`, U\ :sub:`13` & U\ :sub:`23`
1837	paired with their standard uncertainty (or a negative value)
1838	"""
1839	phasedict = self.Phases[phasenam] # pointer to current phase info
1840	cx,ct,cs,cia = phasedict['General']['AtomPtrs']
1841	cfrac = cx+3
1842	fpfx = str(phasedict['pId'])+'::Afrac:'
1843	atomslist = []
1844	for i,at in enumerate(phasedict['Atoms']):
1845	if phasedict['General']['Type'] == 'macromolecular':
1846	label = '%s_%s_%s_%s'%(at[ct-1],at[ct-3],at[ct-4],at[ct-2])
1847	else:
1848	label = at[ct-1]
1849	fval = self.parmDict.get(fpfx+str(i),at[cfrac])
1850	fsig = self.sigDict.get(fpfx+str(i),-0.009)
1851	mult = at[cs+1]
1852	typ = at[ct]
1853	xyz = []
1854	for j,v in enumerate(('x','y','z')):
1855	val = at[cx+j]
1856	pfx = str(phasedict['pId']) + '::A' + v + ':' + str(i)
1857	val = self.parmDict.get(pfx, val)
1858	dpfx = str(phasedict['pId'])+'::dA'+v+':'+str(i)
1859	sig = self.sigDict.get(dpfx,-0.000009)
1860	xyz.append((val,sig))
1861	xyz.append((fval,fsig))
1862	td = []
1863	if at[cia] == 'I':
1864	pfx = str(phasedict['pId'])+'::AUiso:'+str(i)
1865	val = self.parmDict.get(pfx,at[cia+1])
1866	sig = self.sigDict.get(pfx,-0.0009)
1867	td.append((val,sig))
1868	else:
1869	for i,var in enumerate(('AU11','AU22','AU33','AU12','AU13','AU23')):
1870	pfx = str(phasedict['pId'])+'::'+var+':'+str(i)
1871	val = self.parmDict.get(pfx,at[cia+2+i])
1872	sig = self.sigDict.get(pfx,-0.0009)
1873	td.append((val,sig))
1874	atomslist.append((label,typ,mult,xyz,td))
1875	return atomslist
1876	######################################################################
1877	def ExportPowderList(G2frame):
1878	'''Returns a list of extensions supported by :func:`GSASIIIO:ExportPowder`
1879	This is used in :meth:`GSASIIimgGUI.AutoIntFrame` only.
1880
1881	:param wx.Frame G2frame: the GSAS-II main data tree window
1882	'''
1883	extList = []
1884	for obj in G2frame.exporterlist:
1885	if 'powder' in obj.exporttype:
1886	try:
1887	obj.Writer
1888	extList.append(obj.extension)
1889	except AttributeError:
1890	pass
1891	return extList
1892
1893	def ExportPowder(G2frame,TreeName,fileroot,extension):
1894	'''Writes a single powder histogram using the Export routines.
1895	This is used in :meth:`GSASIIimgGUI.AutoIntFrame` only.
1896
1897	:param wx.Frame G2frame: the GSAS-II main data tree window
1898	:param str TreeName: the name of the histogram (PWDR ...) in the data tree
1899	:param str fileroot: name for file to be written, extension ignored
1900	:param str extension: extension for file to be written (start with '.'). Must
1901	match a powder export routine that has a Writer object.
1902	'''
1903	filename = os.path.abspath(os.path.splitext(fileroot)[0]+extension)
1904	for obj in G2frame.exporterlist:
1905	if obj.extension == extension and 'powder' in obj.exporttype:
1906	obj.currentExportType = 'powder'
1907	obj.InitExport(None)
1908	obj.loadTree() # load all histograms in tree into dicts
1909	if TreeName not in obj.Histograms:
1910	raise Exception('Histogram not found: '+str(TreeName))
1911	try:
1912	obj.Writer
1913	except AttributeError:
1914	continue
1915	try:
1916	obj.Writer(TreeName,filename)
1917	return
1918	except Exception,err:
1919	print('Export Routine for '+extension+' failed.')
1920	print err
1921	else:
1922	print('No Export routine supports extension '+extension)
1923
1924	def ExportSequential(G2frame,data,obj,exporttype):
1925	'''
1926	Used to export from every phase/dataset in a sequential refinement using
1927	a .Writer method for either projects or phases. Prompts to select histograms
1928	and for phase exports, which phase(s).
1929
1930	:param wx.Frame G2frame: the GSAS-II main data tree window
1931	:param dict data: the sequential refinement data object
1932	:param str exporttype: indicates the type of export ('project' or 'phase')
1933	'''
1934	if len(data['histNames']) == 0:
1935	G2G.G2MessageBox(G2frame,'There are no sequential histograms','Warning')
1936	obj.InitExport(None)
1937	obj.loadTree()
1938	obj.loadParmDict()
1939	if len(data['histNames']) == 1:
1940	histlist = data['histNames']
1941	else:
1942	dlg = G2G.G2MultiChoiceDialog(G2frame,'Select histograms to export from list',
1943	'Select histograms',data['histNames'])
1944	if dlg.ShowModal() == wx.ID_OK:
1945	histlist = [data['histNames'][l] for l in dlg.GetSelections()]
1946	dlg.Destroy()
1947	else:
1948	dlg.Destroy()
1949	return
1950	if exporttype == 'Phase':
1951	phaselist = obj.Phases.keys()
1952	if len(obj.Phases) == 0:
1953	G2G.G2MessageBox(G2frame,'There are no phases in sequential ref.','Warning')
1954	return
1955	elif len(obj.Phases) > 1:
1956	dlg = G2G.G2MultiChoiceDialog(G2frame,'Select phases to export from list',
1957	'Select phases', phaselist)
1958	if dlg.ShowModal() == wx.ID_OK:
1959	phaselist = [phaselist[l] for l in dlg.GetSelections()]
1960	dlg.Destroy()
1961	else:
1962	dlg.Destroy()
1963	return
1964	filename = obj.askSaveFile()
1965	if not filename: return True
1966	obj.dirname,obj.filename = os.path.split(filename)
1967	print('Writing output to file '+str(obj.filename)+"...")
1968	mode = 'w'
1969	for p in phaselist:
1970	for h in histlist:
1971	obj.SetSeqRef(data,h)
1972	#GSASIIpath.IPyBreak()
1973	obj.Writer(h,phasenam=p,mode=mode)
1974	mode = 'a'
1975	print('...done')
1976	elif exporttype == 'Project': # note that the CIF exporter is not yet ready for this
1977	filename = obj.askSaveFile()
1978	if not filename: return True
1979	obj.dirname,obj.filename = os.path.split(filename)
1980	print('Writing output to file '+str(obj.filename)+"...")
1981	mode = 'w'
1982	for h in histlist:
1983	obj.SetSeqRef(data,h)
1984	obj.Writer(h,mode=mode)
1985	print('\t'+str(h)+' written')
1986	mode = 'a'
1987	print('...done')
1988	elif exporttype == 'Powder':
1989	filename = obj.askSaveFile()
1990	if not filename: return True
1991	obj.dirname,obj.filename = os.path.split(filename)
1992	print('Writing output to file '+str(obj.filename)+"...")
1993	mode = 'w'
1994	for h in histlist:
1995	obj.SetSeqRef(data,h)
1996	obj.Writer(h,mode=mode)
1997	print('\t'+str(h)+' written')
1998	mode = 'a'
1999	print('...done')
2000
2001	def ReadDIFFaX(DIFFaXfile):
2002	print 'read ',DIFFaXfile
2003	Layer = {'Laue':'-1','Cell':[False,1.,1.,1.,90.,90.,90,1.],'Width':[[10.,10.],[False,False]],
2004	'Layers':[],'Stacking':[],'Transitions':[],'Toler':0.01,'AtInfo':{}}
2005	df = open(DIFFaXfile,'r')
2006	lines = df.readlines()
2007	df.close()
2008	struct = False
2009	Struct = []
2010	stack = False
2011	Stack = []
2012	trans = False
2013	Trans = []
2014	for diff in lines:
2015	diff = diff[:-1].lower()
2016	if '!' in diff:
2017	continue
2018	while '}' in diff: #strip comments
2019	iB = diff.index('{')
2020	iF = diff.index('}')+1
2021	if iB:
2022	diff = diff[:iB]
2023	else:
2024	diff = diff[iF:]
2025	if not diff:
2026	continue
2027	if diff.strip() == 'instrumental':
2028	continue
2029	if diff.strip() == 'structural':
2030	struct = True
2031	continue
2032	elif diff.strip() == 'stacking':
2033	struct = False
2034	stack = True
2035	continue
2036	elif diff.strip() == 'transitions':
2037	stack = False
2038	trans = True
2039	continue
2040	diff = diff.strip()
2041	if struct:
2042	if diff:
2043	Struct.append(diff)
2044	elif stack:
2045	if diff:
2046	Stack.append(diff)
2047	elif trans:
2048	if diff:
2049	Trans.append(diff)
2050
2051	#STRUCTURE records
2052	laueRec = Struct[1].split()
2053	Layer['Laue'] = laueRec[0]
2054	if Layer['Laue'] == 'unknown' and len(laueRec) > 1:
2055	Layer['Toler'] = float(laueRec[1]) #tolerance for 'unknown'?
2056	if Layer['Laue'] == '2/m(1)': Layer['Laue'] = '2/m(c)'
2057	if Layer['Laue'] == '2/m(2)': Layer['Laue'] = '2/m(ab)'
2058	cell = Struct[0].split()
2059	Layer['Cell'] = [False,float(cell[0]),float(cell[1]),float(cell[2]),90.,90.,float(cell[3]),1.0]
2060	nLayers = int(Struct[2])
2061	N = 3
2062	if 'layer' not in Struct[3]:
2063	N = 4
2064	if Struct[3] != 'infinite':
2065	width = Struct[3].split()
2066	Layer['Width'][0] = [float(width[0]),float(width[1])]
2067	for nL in range(nLayers):
2068	if '=' in Struct[N]:
2069	name = Struct[N].split('=')
2070	sameas = int(name[1])-1
2071	Layer['Layers'].append({'Name':name[0],'SameAs':Layer['Layers'][sameas]['Name'],'Symm':'None','Atoms':[]})
2072	N += 1
2073	continue
2074	Symm = 'None'
2075	if 'centro' in Struct[N+1]: Symm = '-1'
2076	Layer['Layers'].append({'Name':Struct[N],'SameAs':'','Symm':Symm,'Atoms':[]})
2077	N += 2
2078	while 'layer' not in Struct[N]:
2079	atom = Struct[N][4:].split()
2080	atomType = G2el.FixValence(Struct[N][:4].replace(' ','').strip().capitalize())
2081	if atomType not in Layer['AtInfo']:
2082	Layer['AtInfo'][atomType] = G2el.GetAtomInfo(atomType)
2083	atomName = '%s(%s)'%(atomType,atom[0])
2084	newVals = []
2085	for val in atom[1:6]:
2086	if '/' in val:
2087	newVals.append(eval(val+'.'))
2088	else:
2089	newVals.append(float(val))
2090	atomRec = [atomName,atomType,newVals[0],newVals[1],newVals[2],newVals[4],newVals[3]/78.9568]
2091	Layer['Layers'][-1]['Atoms'].append(atomRec)
2092	N += 1
2093	if N > len(Struct)-1:
2094	break
2095	#TRANSITIONS records
2096	transArray = []
2097	N = 0
2098	for i in range(nLayers):
2099	transArray.append([])
2100	for j in range(nLayers):
2101	vals = Trans[N].split()
2102	newVals = []
2103	for val in vals[:4]:
2104	if '/' in val:
2105	newVals.append(eval(val+'.'))
2106	else:
2107	newVals.append(float(val))
2108	transArray[-1].append(newVals+['',False])
2109	N += 1
2110	Layer['Transitions'] = transArray
2111	#STACKING records
2112	Layer['Stacking'] = [Stack[0],'']
2113	if Stack[0] == 'recursive':
2114	Layer['Stacking'][1] = Stack[1]
2115	elif Stack[0] == 'explicit':
2116	if Stack[1] == 'random':
2117	Layer['Stacking'][1] = Stack[1]
2118	else:
2119	Layer['Stacking'][1] = 'list'
2120	Layer['Stacking'].append('')
2121	for stack in Stack[2:]:
2122	Layer['Stacking'][2] += ' '+stack
2123	return Layer
2124
2125	if __name__ == '__main__':
2126	import GSASIIdataGUI
2127	application = GSASIIdataGUI.GSASIImain(0)
2128	G2frame = application.main
2129	#app = wx.PySimpleApp()
2130	#G2frame = wx.Frame(None) # create a frame
2131	#frm.Show(True)
2132	#filename = '/tmp/notzip.zip'
2133	#filename = '/tmp/all.zip'
2134	#filename = '/tmp/11bmb_7652.zip'
2135
2136	#selection=None, confirmoverwrite=True, parent=None
2137	#print ExtractFileFromZip(filename, selection='11bmb_7652.fxye',parent=frm)
2138	#print ExtractFileFromZip(filename,multipleselect=True)
2139	# #confirmread=False, confirmoverwrite=False)
2140
2141	# choicelist=[ ('a','b','c'),
2142	# ('test1','test2'),('no choice',)]
2143	# titles = [ 'a, b or c', 'tests', 'No option here']
2144	# dlg = MultipleChoicesDialog(
2145	# choicelist,titles,
2146	# parent=frm)
2147	# if dlg.ShowModal() == wx.ID_OK:
2148	# print 'Got OK'
2149	imagefile = '/tmp/NDC5_00237_3.ge3'
2150	Comments, Data, Npix, Image = GetImageData(G2frame,imagefile,imageOnly=False,ImageTag=None)
2151
2152	print("\n\nResults loaded to Comments, Data, Npix and Image\n\n")
2153
2154	GSASIIpath.IPyBreak_base()

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

Download in other formats: