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source: trunk/GSASIIIO.py @ 1204

Last change on this file since 1204 was 1204, checked in by vondreele, 9 years ago
SASD now in q only (not 2-theta); fix minor bugs
Property svn:eol-style set to `native` Property svn:keywords set to `Date Author Revision URL Id`
File size: 92.5 KB

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1	# -- coding: utf-8 --
2	########### SVN repository information ###################
3	# $Date: 2014-01-22 20:41:42 +0000 (Wed, 22 Jan 2014) $
4	# $Author: vondreele $
5	# $Revision: 1204 $
6	# $URL: trunk/GSASIIIO.py $
7	# $Id: GSASIIIO.py 1204 2014-01-22 20:41:42Z vondreele $
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	'''
21	"""GSASIIIO: functions for IO of data
22	Copyright: 2008, Robert B. Von Dreele (Argonne National Laboratory)
23	"""
24	import wx
25	import math
26	import numpy as np
27	import cPickle
28	import sys
29	import re
30	import random as ran
31	import GSASIIpath
32	GSASIIpath.SetVersionNumber("$Revision: 1204 $")
33	import GSASIIgrid as G2gd
34	import GSASIIspc as G2spc
35	import GSASIIlattice as G2lat
36	import GSASIIpwdGUI as G2pdG
37	import GSASIIElem as G2el
38	import GSASIIstrIO as G2stIO
39	import GSASIImapvars as G2mv
40	import os
41	import os.path as ospath
42
43	DEBUG = False #=True for various prints
44	TRANSP = False #=true to transpose images for testing
45	npsind = lambda x: np.sin(x*np.pi/180.)
46
47	def sfloat(S):
48	'Convert a string to float. An empty field is treated as zero'
49	if S.strip():
50	return float(S)
51	else:
52	return 0.0
53
54	def sint(S):
55	'Convert a string to int. An empty field is treated as zero'
56	if S.strip():
57	return int(S)
58	else:
59	return 0
60
61	def trim(val):
62	'''Simplify a string containing leading and trailing spaces
63	as well as newlines, tabs, repeated spaces etc. into a shorter and
64	more simple string, by replacing all ranges of whitespace
65	characters with a single space.
66
67	:param str val: the string to be simplified
68
69	:returns: the (usually) shortened version of the string
70	'''
71	return re.sub('\s+', ' ', val).strip()
72
73	def makeInstDict(names,data,codes):
74	inst = dict(zip(names,zip(data,data,codes)))
75	for item in inst:
76	inst[item] = list(inst[item])
77	return inst
78
79	def FileDlgFixExt(dlg,file):
80	'this is needed to fix a problem in linux wx.FileDialog'
81	ext = dlg.GetWildcard().split('\|')[2dlg.GetFilterIndex()+1].strip('')
82	if ext not in file:
83	file += ext
84	return file
85
86	def GetPowderPeaks(fileName):
87	'Read powder peaks from a file'
88	sind = lambda x: math.sin(x*math.pi/180.)
89	asind = lambda x: 180.*math.asin(x)/math.pi
90	Cuka = 1.54052
91	File = open(fileName,'Ur')
92	Comments = []
93	peaks = []
94	S = File.readline()
95	while S:
96	if S[:1] == '#':
97	Comments.append(S[:-1])
98	else:
99	item = S.split()
100	if len(item) == 1:
101	peaks.append([float(item[0]),1.0])
102	elif len(item) > 1:
103	peaks.append([float(item[0]),float(item[0])])
104	S = File.readline()
105	File.close()
106	if Comments:
107	print 'Comments on file:'
108	for Comment in Comments: print Comment
109	Peaks = []
110	if peaks[0][0] > peaks[-1][0]: # d-spacings - assume CuKa
111	for peak in peaks:
112	dsp = peak[0]
113	sth = Cuka/(2.0*dsp)
114	if sth < 1.0:
115	tth = 2.0*asind(sth)
116	else:
117	break
118	Peaks.append([tth,peak[1],True,False,0,0,0,dsp,0.0])
119	else: #2-thetas - assume Cuka (for now)
120	for peak in peaks:
121	tth = peak[0]
122	dsp = Cuka/(2.0*sind(tth/2.0))
123	Peaks.append([tth,peak[1],True,False,0,0,0,dsp,0.0])
124	return Comments,Peaks
125
126	def CheckImageFile(G2frame,imagefile):
127	'''Get an new image file name if the specified one does not
128	exist
129
130	:param wx.Frame G2frame: main GSAS-II Frame and data object
131
132	:param str imagefile: name of image file
133
134	:returns: imagefile, if it exists, or the name of a file
135	that does exist or False if the user presses Cancel
136
137	'''
138	if not ospath.exists(imagefile):
139	dlg = wx.FileDialog(G2frame, 'Bad image file name; choose name', '.', '',\
140	'Any image file (.edf;.tif;.tiff;.mar;.avg;.sum;.img)\
141	\|.edf;.tif;.tiff;.mar;.avg;.sum;.img\|\
142	European detector file (.edf)\|.edf\|\
143	Any detector tif (.tif;.tiff)\|.tif;.tiff\|\
144	MAR file (.mar)\|.mar\|\
145	GE Image (.avg;.sum)\|.avg;.sum\|\
146	ADSC Image (.img)\|.img\|\
147	All files (.)\|.',wx.OPEN\|wx.CHANGE_DIR)
148	try:
149	dlg.SetFilename(''+ospath.split(imagefile)[1])
150	if dlg.ShowModal() == wx.ID_OK:
151	imagefile = dlg.GetPath()
152	else:
153	imagefile = False
154	finally:
155	dlg.Destroy()
156	return imagefile
157
158	def GetImageData(G2frame,imagefile,imageOnly=False):
159	'''Read an image with the file reader keyed by the
160	file extension
161
162	:param wx.Frame G2frame: main GSAS-II Frame and data object. Note: not used!
163
164	:param str imagefile: name of image file
165
166	:param bool imageOnly: If True return only the image,
167	otherwise (default) return more (see below)
168
169	:returns: an image as a numpy array or a list of four items:
170	Comments, Data, Npix and the Image, as selected by imageOnly
171
172	'''
173	ext = ospath.splitext(imagefile)[1]
174	Comments = []
175	if ext == '.tif' or ext == '.tiff':
176	Comments,Data,Npix,Image = GetTifData(imagefile)
177	elif ext == '.edf':
178	Comments,Data,Npix,Image = GetEdfData(imagefile)
179	elif ext == '.img':
180	Comments,Data,Npix,Image = GetImgData(imagefile)
181	Image[0][0] = 0
182	elif ext == '.mar3450' or ext == '.mar2300':
183	Comments,Data,Npix,Image = GetMAR345Data(imagefile)
184	elif ext in ['.sum','.avg','']:
185	Comments,Data,Npix,Image = GetGEsumData(imagefile)
186	elif ext == '.G2img':
187	Comments,Data,Npix,Image = GetG2Image(imagefile)
188	if imageOnly:
189	if TRANSP:
190	return Image.T
191	else:
192	return Image
193	else:
194	if TRANSP:
195	return Comments,Data,Npix,Image.T
196	else:
197	return Comments,Data,Npix,Image
198
199	def PutG2Image(filename,Comments,Data,Npix,image):
200	'Write an image as a python pickle'
201	File = open(filename,'wb')
202	cPickle.dump([Comments,Data,Npix,image],File,1)
203	File.close()
204	return
205
206	def GetG2Image(filename):
207	'Read an image as a python pickle'
208	File = open(filename,'rb')
209	Comments,Data,Npix,image = cPickle.load(File)
210	File.close()
211	return Comments,Data,Npix,image
212
213	def GetEdfData(filename,imageOnly=False):
214	'Read European detector data edf file'
215	import struct as st
216	import array as ar
217	if not imageOnly:
218	print 'Read European detector data edf file: ',filename
219	File = open(filename,'rb')
220	fileSize = os.stat(filename).st_size
221	head = File.read(3072)
222	lines = head.split('\n')
223	sizexy = [0,0]
224	pixSize = [0,0]
225	cent = [0,0]
226	head = ['European detector data',]
227	for line in lines:
228	fields = line.split()
229	if 'Dim_1' in line:
230	sizexy[0] = int(fields[2])
231	elif 'Dim_2' in line:
232	sizexy[1] = int(fields[2])
233	elif 'DataType' in line:
234	dType = fields[2]
235	elif 'refined_wavelength' in line:
236	wave = float(fields[2])
237	elif 'Size' in line:
238	imSize = int(fields[2])
239	elif 'DataType' in lines:
240	dType = fields[2]
241	elif 'pixel_size_x' in line:
242	pixSize[0] = float(fields[2])
243	elif 'pixel_size_y' in line:
244	pixSize[1] = float(fields[2])
245	elif 'beam_center_x' in line:
246	cent[0] = float(fields[2])
247	elif 'beam_center_y' in line:
248	cent[1] = float(fields[2])
249	elif 'refined_distance' in line:
250	dist = float(fields[2])
251	if line:
252	head.append(line)
253	File.seek(fileSize-imSize)
254	if dType == 'UnsignedShort':
255	image = np.array(ar.array('H',File.read(imSize)),dtype=np.int32)
256	elif dType == 'UnsignedInt':
257	image = np.array(ar.array('L',File.read(imSize)),dtype=np.int32)
258	image = np.reshape(image,(sizexy[1],sizexy[0]))
259	data = {'pixelSize':pixSize,'wavelength':wave,'distance':dist,'center':cent,'size':sizexy}
260	Npix = sizexy[0]*sizexy[1]
261	File.close()
262	if imageOnly:
263	return image
264	else:
265	return head,data,Npix,image
266
267	def GetGEsumData(filename,imageOnly=False):
268	'Read SUM file as produced at 1-ID from G.E. images'
269	import struct as st
270	import array as ar
271	if not imageOnly:
272	print 'Read GE sum file: ',filename
273	File = open(filename,'rb')
274	if '.sum' in filename:
275	head = ['GE detector sum data from APS 1-ID',]
276	sizexy = [2048,2048]
277	elif '.avg' in filename:
278	head = ['GE detector avg data from APS 1-ID',]
279	sizexy = [2048,2048]
280	else:
281	head = ['GE detector raw data from APS 1-ID',]
282	File.seek(18)
283	size,nframes = st.unpack('<ih',File.read(6))
284	sizexy = [2048,2048]
285	pos = 8192
286	File.seek(pos)
287	Npix = sizexy[0]*sizexy[1]
288	if '.sum' in filename:
289	image = np.array(ar.array('f',File.read(4*Npix)),dtype=np.int32)
290	elif '.avg' in filename:
291	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
292	else:
293	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
294	while nframes > 1:
295	image += np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
296	nframes -= 1
297	image = np.reshape(image,(sizexy[1],sizexy[0]))
298	data = {'pixelSize':(200,200),'wavelength':0.15,'distance':250.0,'center':[204.8,204.8],'size':sizexy}
299	File.close()
300	if imageOnly:
301	return image
302	else:
303	return head,data,Npix,image
304
305	def GetImgData(filename,imageOnly=False):
306	'Read an ADSC image file'
307	import struct as st
308	import array as ar
309	if not imageOnly:
310	print 'Read ADSC img file: ',filename
311	File = open(filename,'rb')
312	head = File.read(511)
313	lines = head.split('\n')
314	head = []
315	center = [0,0]
316	for line in lines[1:-2]:
317	line = line.strip()[:-1]
318	if line:
319	if 'SIZE1' in line:
320	size = int(line.split('=')[1])
321	Npix = size*size
322	elif 'WAVELENGTH' in line:
323	wave = float(line.split('=')[1])
324	elif 'BIN' in line:
325	if line.split('=')[1] == '2x2':
326	pixel=(102,102)
327	else:
328	pixel = (51,51)
329	elif 'DISTANCE' in line:
330	distance = float(line.split('=')[1])
331	elif 'CENTER_X' in line:
332	center[0] = float(line.split('=')[1])
333	elif 'CENTER_Y' in line:
334	center[1] = float(line.split('=')[1])
335	head.append(line)
336	data = {'pixelSize':pixel,'wavelength':wave,'distance':distance,'center':center,'size':[size,size]}
337	image = []
338	row = 0
339	pos = 512
340	File.seek(pos)
341	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
342	image = np.reshape(image,(sizexy[1],sizexy[0]))
343	# image = np.zeros(shape=(size,size),dtype=np.int32)
344	# while row < size:
345	# File.seek(pos)
346	# line = ar.array('H',File.read(2*size))
347	# image[row] = np.asarray(line)
348	# row += 1
349	# pos += 2*size
350	File.close()
351	if imageOnly:
352	return image
353	else:
354	return lines[1:-2],data,Npix,image
355
356	def GetMAR345Data(filename,imageOnly=False):
357	'Read a MAR-345 image plate image'
358	import array as ar
359	import struct as st
360	try:
361	import pack_f as pf
362	except:
363	msg = wx.MessageDialog(None, message="Unable to load the GSAS MAR image decompression, pack_f",
364	caption="Import Error",
365	style=wx.ICON_ERROR \| wx.OK \| wx.STAY_ON_TOP)
366	msg.ShowModal()
367	return None,None,None,None
368
369	if not imageOnly:
370	print 'Read Mar345 file: ',filename
371	File = open(filename,'rb')
372	head = File.read(4095)
373	numbers = st.unpack('<iiiiiiiiii',head[:40])
374	lines = head[128:].split('\n')
375	head = []
376	for line in lines:
377	line = line.strip()
378	if 'PIXEL' in line:
379	values = line.split()
380	pixel = (int(values[2]),int(values[4])) #in microns
381	elif 'WAVELENGTH' in line:
382	wave = float(line.split()[1])
383	elif 'DISTANCE' in line:
384	distance = float(line.split()[1]) #in mm
385	elif 'CENTER' in line:
386	values = line.split()
387	center = [float(values[2])/10.,float(values[4])/10.] #make in mm from pixels
388	if line:
389	head.append(line)
390	data = {'pixelSize':pixel,'wavelength':wave,'distance':distance,'center':center}
391	for line in head:
392	if 'FORMAT' in line[0:6]:
393	items = line.split()
394	size = int(items[1])
395	Npix = size*size
396	pos = 4096
397	data['size'] = [size,size]
398	File.seek(pos)
399	line = File.read(8)
400	while 'CCP4' not in line: #get past overflow list for now
401	line = File.read(8)
402	pos += 8
403	pos += 37
404	File.seek(pos)
405	raw = File.read()
406	File.close()
407	image = np.zeros(shape=(size,size),dtype=np.int32)
408	image = np.flipud(pf.pack_f(len(raw),raw,size,image).T) #transpose to get it right way around & flip
409	if imageOnly:
410	return image
411	else:
412	return head,data,Npix,image
413
414	def GetTifData(filename,imageOnly=False):
415	'''Read an image in a pseudo-tif format,
416	as produced by a wide variety of software, almost always
417	incorrectly in some way.
418	'''
419	import struct as st
420	import array as ar
421	import ReadMarCCDFrame as rmf
422	File = open(filename,'rb')
423	dataType = 5
424	center = [None,None]
425	wavelength = None
426	distance = None
427	try:
428	Meta = open(filename+'.metadata','Ur')
429	head = Meta.readlines()
430	for line in head:
431	line = line.strip()
432	if 'dataType=' in line:
433	dataType = int(line.split('=')[1])
434	Meta.close()
435	except IOError:
436	print 'no metadata file found - will try to read file anyway'
437	head = ['no metadata file found',]
438
439	tag = File.read(2)
440	byteOrd = '<'
441	if tag == 'II' and int(st.unpack('<h',File.read(2))[0]) == 42: #little endian
442	IFD = int(st.unpack(byteOrd+'i',File.read(4))[0])
443	elif tag == 'MM' and int(st.unpack('>h',File.read(2))[0]) == 42: #big endian
444	byteOrd = '>'
445	IFD = int(st.unpack(byteOrd+'i',File.read(4))[0])
446	else:
447	lines = ['not a detector tiff file',]
448	return lines,0,0,0
449	File.seek(IFD) #get number of directory entries
450	NED = int(st.unpack(byteOrd+'h',File.read(2))[0])
451	IFD = {}
452	for ied in range(NED):
453	Tag,Type = st.unpack(byteOrd+'Hh',File.read(4))
454	nVal = st.unpack(byteOrd+'i',File.read(4))[0]
455	if Type == 1:
456	Value = st.unpack(byteOrd+nVal*'b',File.read(nVal))
457	elif Type == 2:
458	Value = st.unpack(byteOrd+'i',File.read(4))
459	elif Type == 3:
460	Value = st.unpack(byteOrd+nVal'h',File.read(nVal2))
461	x = st.unpack(byteOrd+nVal'h',File.read(nVal2))
462	elif Type == 4:
463	Value = st.unpack(byteOrd+nVal'i',File.read(nVal4))
464	elif Type == 5:
465	Value = st.unpack(byteOrd+nVal'i',File.read(nVal4))
466	elif Type == 11:
467	Value = st.unpack(byteOrd+nVal'f',File.read(nVal4))
468	IFD[Tag] = [Type,nVal,Value]
469	if DEBUG: print Tag,IFD[Tag]
470	sizexy = [IFD[256][2][0],IFD[257][2][0]]
471	[nx,ny] = sizexy
472	Npix = nx*ny
473	if 34710 in IFD:
474	if not imageOnly:
475	print 'Read MAR CCD tiff file: ',filename
476	marFrame = rmf.marFrame(File,byteOrd,IFD)
477	image = np.flipud(np.array(np.asarray(marFrame.image),dtype=np.int32))
478	tifType = marFrame.filetitle
479	pixy = (marFrame.pixelsizeX/1000.0,marFrame.pixelsizeY/1000.0)
480	head = marFrame.outputHead()
481	# extract resonable wavelength from header
482	wavelength = marFrame.sourceWavelength*1e-5
483	wavelength = (marFrame.opticsWavelength > 0) and marFrame.opticsWavelength*1e-5 or wavelength
484	wavelength = (wavelength <= 0) and None or wavelength
485	# extract resonable distance from header
486	distance = (marFrame.startXtalToDetector+marFrame.endXtalToDetector)*5e-4
487	distance = (distance <= 0) and marFrame.xtalToDetector*1e-3 or distance
488	distance = (distance <= 0) and None or distance
489	# extract resonable center from header
490	center = [marFrame.beamXmarFrame.pixelsizeX1e-9,marFrame.beamYmarFrame.pixelsizeY1e-9]
491	center = (center[0] != 0 and center[1] != 0) and center or [None,None]
492	#print head,tifType,pixy
493	elif 272 in IFD:
494	ifd = IFD[272]
495	File.seek(ifd[2][0])
496	S = File.read(ifd[1])
497	if 'PILATUS' in S:
498	tifType = 'Pilatus'
499	dataType = 0
500	pixy = (172,172)
501	File.seek(4096)
502	if not imageOnly:
503	print 'Read Pilatus tiff file: ',filename
504	image = ar.array('L',File.read(4*Npix))
505	image = np.array(np.asarray(image),dtype=np.int32)
506	else:
507	if IFD[258][2][0] == 16:
508	print sizexy
509	tifType = 'GE'
510	pixy = (200,200)
511	File.seek(8)
512	if not imageOnly:
513	print 'Read GE-detector tiff file: ',filename
514	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
515	elif IFD[258][2][0] == 32:
516	print sizexy
517	tifType = 'CHESS'
518	pixy = (200,200)
519	File.seek(8)
520	if not imageOnly:
521	print 'Read CHESS-detector tiff file: ',filename
522	image = np.array(ar.array('L',File.read(4*Npix)),dtype=np.int32)
523
524	elif 262 in IFD and IFD[262][2][0] > 4:
525	tifType = 'DND'
526	pixy = (158,158)
527	File.seek(512)
528	if not imageOnly:
529	print 'Read DND SAX/WAX-detector tiff file: ',filename
530	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
531	elif sizexy == [1536,1536]:
532	tifType = 'APS Gold'
533	pixy = (150,150)
534	File.seek(64)
535	if not imageOnly:
536	print 'Read Gold tiff file:',filename
537	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
538	elif sizexy == [2048,2048] or sizexy == [1024,1024] or sizexy == [3072,3072]:
539	if IFD[273][2][0] == 8:
540	if IFD[258][2][0] == 32:
541	tifType = 'PE'
542	pixy = (200,200)
543	File.seek(8)
544	if not imageOnly:
545	print 'Read APS PE-detector tiff file: ',filename
546	if dataType == 5:
547	image = np.array(ar.array('f',File.read(4*Npix)),dtype=np.float32)
548	else:
549	image = np.array(ar.array('I',File.read(4*Npix)),dtype=np.int32)
550
551	elif IFD[273][2][0] == 4096:
552	if sizexy[0] == 3072:
553	pixy = (73,73)
554	tifType = 'MAR225'
555	else:
556	pixy = (158,158)
557	tifType = 'MAR325'
558	File.seek(4096)
559	if not imageOnly:
560	print 'Read MAR CCD tiff file: ',filename
561	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
562	elif IFD[273][2][0] == 512:
563	tiftype = '11-ID-C'
564	pixy = [200,200]
565	File.seek(512)
566	if not imageOnly:
567	print 'Read 11-ID-C tiff file: ',filename
568	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
569	elif sizexy == [4096,4096]:
570	if IFD[273][2][0] == 8:
571	if IFD[258][2][0] == 16:
572	tifType = 'scanCCD'
573	pixy = (9,9)
574	File.seek(8)
575	if not imageOnly:
576	print 'Read APS scanCCD tiff file: ',filename
577	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
578	elif IFD[273][2][0] == 4096:
579	tifType = 'Rayonix'
580	pixy = (73.242,73.242)
581	File.seek(4096)
582	if not imageOnly:
583	print 'Read Rayonix MX300HE tiff file: ',filename
584	image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
585	# elif sizexy == [960,960]:
586	# tiftype = 'PE-BE'
587	# pixy = (200,200)
588	# File.seek(8)
589	# if not imageOnly:
590	# print 'Read Gold tiff file:',filename
591	# image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
592
593	else:
594	lines = ['not a known detector tiff file',]
595	return lines,0,0,0
596
597	image = np.reshape(image,(sizexy[1],sizexy[0]))
598	center = (not center[0]) and [pixy[0]sizexy[0]/2000,pixy[1]sizexy[1]/2000] or center
599	wavelength = (not wavelength) and 0.10 or wavelength
600	distance = (not distance) and 100.0 or distance
601	data = {'pixelSize':pixy,'wavelength':wavelength,'distance':distance,'center':center,'size':sizexy}
602	File.close()
603	if imageOnly:
604	return image
605	else:
606	return head,data,Npix,image
607
608	#def GetTifData(filename,imageOnly=False):
609	# import struct as st
610	# import array as ar
611	# File = open(filename,'rb')
612	# dataType = 5
613	# try:
614	# Meta = open(filename+'.metadata','Ur')
615	# head = Meta.readlines()
616	# for line in head:
617	# line = line.strip()
618	# if 'dataType=' in line:
619	# dataType = int(line.split('=')[1])
620	# Meta.close()
621	# except IOError:
622	# print 'no metadata file found - will try to read file anyway'
623	# head = ['no metadata file found',]
624	#
625	# tag = File.read(2)
626	# byteOrd = '<'
627	# if tag == 'II' and int(st.unpack('<h',File.read(2))[0]) == 42: #little endian
628	# IFD = int(st.unpack(byteOrd+'i',File.read(4))[0])
629	# elif tag == 'MM' and int(st.unpack('>h',File.read(2))[0]) == 42: #big endian
630	# byteOrd = '>'
631	# IFD = int(st.unpack(byteOrd+'i',File.read(4))[0])
632	# else:
633	# lines = ['not a detector tiff file',]
634	# return lines,0,0,0
635	# File.seek(IFD) #get number of directory entries
636	# NED = int(st.unpack(byteOrd+'h',File.read(2))[0])
637	# IFD = {}
638	# for ied in range(NED):
639	# Tag,Type = st.unpack(byteOrd+'Hh',File.read(4))
640	# nVal = st.unpack(byteOrd+'i',File.read(4))[0]
641	# if Type == 1:
642	# Value = st.unpack(byteOrd+nVal*'b',File.read(nVal))
643	# elif Type == 2:
644	# Value = st.unpack(byteOrd+'i',File.read(4))
645	# elif Type == 3:
646	# Value = st.unpack(byteOrd+nVal'h',File.read(nVal2))
647	# x = st.unpack(byteOrd+nVal'h',File.read(nVal2))
648	# elif Type == 4:
649	# Value = st.unpack(byteOrd+nVal'i',File.read(nVal4))
650	# elif Type == 5:
651	# Value = st.unpack(byteOrd+nVal'i',File.read(nVal4))
652	# elif Type == 11:
653	# Value = st.unpack(byteOrd+nVal'f',File.read(nVal4))
654	# IFD[Tag] = [Type,nVal,Value]
655	## print Tag,IFD[Tag]
656	# sizexy = [IFD[256][2][0],IFD[257][2][0]]
657	# [nx,ny] = sizexy
658	# Npix = nx*ny
659	# if 272 in IFD:
660	# ifd = IFD[272]
661	# File.seek(ifd[2][0])
662	# S = File.read(ifd[1])
663	# if 'PILATUS' in S:
664	# tifType = 'Pilatus'
665	# dataType = 0
666	# pixy = (172,172)
667	# File.seek(4096)
668	# if not imageOnly:
669	# print 'Read Pilatus tiff file: ',filename
670	# image = ar.array('L',File.read(4*Npix))
671	# image = np.array(np.asarray(image),dtype=np.int32)
672	# elif 262 in IFD and IFD[262][2][0] > 4:
673	# tifType = 'DND'
674	# pixy = (158,158)
675	# File.seek(512)
676	# if not imageOnly:
677	# print 'Read DND SAX/WAX-detector tiff file: ',filename
678	# image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
679	# elif sizexy == [1536,1536]:
680	# tifType = 'APS Gold'
681	# pixy = (150,150)
682	# File.seek(64)
683	# if not imageOnly:
684	# print 'Read Gold tiff file:',filename
685	# image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
686	# elif sizexy == [2048,2048] or sizexy == [1024,1024] or sizexy == [3072,3072]:
687	# if IFD[273][2][0] == 8:
688	# if IFD[258][2][0] == 32:
689	# tifType = 'PE'
690	# pixy = (200,200)
691	# File.seek(8)
692	# if not imageOnly:
693	# print 'Read APS PE-detector tiff file: ',filename
694	# if dataType == 5:
695	# image = np.array(ar.array('f',File.read(4*Npix)),dtype=np.float32)
696	# else:
697	# image = np.array(ar.array('I',File.read(4*Npix)),dtype=np.int32)
698	# elif IFD[273][2][0] == 4096:
699	# if sizexy[0] == 3072:
700	# pixy = (73,73)
701	# tifType = 'MAR225'
702	# else:
703	# pixy = (158,158)
704	# tifType = 'MAR325'
705	# File.seek(4096)
706	# if not imageOnly:
707	# print 'Read MAR CCD tiff file: ',filename
708	# image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
709	# elif IFD[273][2][0] == 512:
710	# tiftype = '11-ID-C'
711	# pixy = [200,200]
712	# File.seek(512)
713	# if not imageOnly:
714	# print 'Read 11-ID-C tiff file: ',filename
715	# image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
716	# elif sizexy == [4096,4096]:
717	# if IFD[273][2][0] == 8:
718	# if IFD[258][2][0] == 16:
719	# tifType = 'scanCCD'
720	# pixy = (9,9)
721	# File.seek(8)
722	# if not imageOnly:
723	# print 'Read APS scanCCD tiff file: ',filename
724	# image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
725	# elif IFD[273][2][0] == 4096:
726	# tifType = 'Rayonix'
727	# pixy = (73.242,73.242)
728	# File.seek(4096)
729	# if not imageOnly:
730	# print 'Read Rayonix MX300HE tiff file: ',filename
731	# image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
732	## elif sizexy == [960,960]:
733	## tiftype = 'PE-BE'
734	## pixy = (200,200)
735	## File.seek(8)
736	## if not imageOnly:
737	## print 'Read Gold tiff file:',filename
738	## image = np.array(ar.array('H',File.read(2*Npix)),dtype=np.int32)
739	#
740	# else:
741	# lines = ['not a known detector tiff file',]
742	# return lines,0,0,0
743	#
744	# image = np.reshape(image,(sizexy[1],sizexy[0]))
745	# center = [pixy[0]sizexy[0]/2000,pixy[1]sizexy[1]/2000]
746	# data = {'pixelSize':pixy,'wavelength':0.10,'distance':100.0,'center':center,'size':sizexy}
747	# File.close()
748	# if imageOnly:
749	# return image
750	# else:
751	# return head,data,Npix,image
752	#
753	def ProjFileOpen(G2frame):
754	'Read a GSAS-II project file and load into the G2 data tree'
755	file = open(G2frame.GSASprojectfile,'rb')
756	print 'load from file: ',G2frame.GSASprojectfile
757	G2frame.SetTitle("GSAS-II data tree: "+
758	os.path.split(G2frame.GSASprojectfile)[1])
759	wx.BeginBusyCursor()
760	try:
761	while True:
762	try:
763	data = cPickle.load(file)
764	except EOFError:
765	break
766	datum = data[0]
767
768	Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text=datum[0])
769	if 'PWDR' in datum[0]:
770	if 'ranId' not in datum[1][0]: # patch: add random Id if not present
771	datum[1][0]['ranId'] = ran.randint(0,sys.maxint)
772	G2frame.PatternTree.SetItemPyData(Id,datum[1][:3]) #temp. trim off junk (patch?)
773	elif datum[0].startswith('HKLF'):
774	if 'ranId' not in datum[1][0]: # patch: add random Id if not present
775	datum[1][0]['ranId'] = ran.randint(0,sys.maxint)
776	G2frame.PatternTree.SetItemPyData(Id,datum[1])
777	else:
778	G2frame.PatternTree.SetItemPyData(Id,datum[1])
779	for datus in data[1:]:
780	sub = G2frame.PatternTree.AppendItem(Id,datus[0])
781	#patch
782	if datus[0] == 'Instrument Parameters' and len(datus[1]) == 1:
783	if 'PWDR' in datum[0]:
784	datus[1] = [dict(zip(datus[1][3],zip(datus[1][0],datus[1][1],datus[1][2]))),{}]
785	else:
786	datus[1] = [dict(zip(datus[1][2],zip(datus[1][0],datus[1][1]))),{}]
787	for item in datus[1][0]: #zip makes tuples - now make lists!
788	datus[1][0][item] = list(datus[1][0][item])
789	#end patch
790	G2frame.PatternTree.SetItemPyData(sub,datus[1])
791	if 'IMG' in datum[0]: #retrieve image default flag & data if set
792	Data = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Image Controls'))
793	if Data['setDefault']:
794	G2frame.imageDefault = Data
795	file.close()
796	print('project load successful')
797	G2frame.NewPlot = True
798	except:
799	msg = wx.MessageDialog(G2frame,message="Error reading file "+
800	str(G2frame.GSASprojectfile)+". This is not a GSAS-II .gpx file",
801	caption="Load Error",style=wx.ICON_ERROR \| wx.OK \| wx.STAY_ON_TOP)
802	msg.ShowModal()
803	finally:
804	wx.EndBusyCursor()
805
806	def ProjFileSave(G2frame):
807	'Save a GSAS-II project file'
808	if not G2frame.PatternTree.IsEmpty():
809	file = open(G2frame.GSASprojectfile,'wb')
810	print 'save to file: ',G2frame.GSASprojectfile
811	wx.BeginBusyCursor()
812	try:
813	item, cookie = G2frame.PatternTree.GetFirstChild(G2frame.root)
814	while item:
815	data = []
816	name = G2frame.PatternTree.GetItemText(item)
817	data.append([name,G2frame.PatternTree.GetItemPyData(item)])
818	item2, cookie2 = G2frame.PatternTree.GetFirstChild(item)
819	while item2:
820	name = G2frame.PatternTree.GetItemText(item2)
821	data.append([name,G2frame.PatternTree.GetItemPyData(item2)])
822	item2, cookie2 = G2frame.PatternTree.GetNextChild(item, cookie2)
823	item, cookie = G2frame.PatternTree.GetNextChild(G2frame.root, cookie)
824	cPickle.dump(data,file,1)
825	file.close()
826	finally:
827	wx.EndBusyCursor()
828	print('project save successful')
829
830	def SaveIntegration(G2frame,PickId,data):
831	'Save image integration results as powder pattern(s)'
832	azms = G2frame.Integrate[1]
833	X = G2frame.Integrate[2][:-1]
834	N = len(X)
835	Id = G2frame.PatternTree.GetItemParent(PickId)
836	name = G2frame.PatternTree.GetItemText(Id)
837	name = name.replace('IMG ',data['type']+' ')
838	Comments = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Comments'))
839	if 'PWDR' in name:
840	names = ['Type','Lam','Zero','Polariz.','U','V','W','X','Y','SH/L','Azimuth']
841	codes = [0 for i in range(11)]
842	elif 'SASD' in name:
843	names = ['Type','Lam','Zero','Azimuth']
844	codes = [0 for i in range(4)]
845	X = 4.np.pinpsind(X/2.)/data['wavelength'] #convert to q
846	Xminmax = [X[0],X[-1]]
847	LRazm = data['LRazimuth']
848	Azms = []
849	if data['fullIntegrate'] and data['outAzimuths'] == 1:
850	Azms = [45.0,] #a poor man's average?
851	else:
852	for i,azm in enumerate(azms[:-1]):
853	Azms.append((azms[i+1]+azm)/2.)
854	for i,azm in enumerate(azms[:-1]):
855	item, cookie = G2frame.PatternTree.GetFirstChild(G2frame.root)
856	Id = 0
857	while item:
858	Name = G2frame.PatternTree.GetItemText(item)
859	if name == Name:
860	Id = item
861	item, cookie = G2frame.PatternTree.GetNextChild(G2frame.root, cookie)
862	Sample = G2pdG.SetDefaultSample()
863	Sample['Gonio. radius'] = data['distance']
864	Sample['Omega'] = data['GonioAngles'][0]
865	Sample['Chi'] = data['GonioAngles'][1]
866	Sample['Phi'] = data['GonioAngles'][2]
867	if 'PWDR' in name:
868	parms = ['PXC',data['wavelength'],0.0,0.99,1.0,-0.10,0.4,0.30,1.0,0.0001,Azms[i]] #set polarization for synchrotron radiation!
869	elif 'SASD' in name:
870	parms = ['LXC',data['wavelength'],0.0,Azms[i]]
871	Y = G2frame.Integrate[0][i]
872	W = 1./Y #probably not true
873	if Id:
874	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Comments'),Comments)
875	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Limits'),[tuple(Xminmax),Xminmax])
876	if 'PWDR' in name:
877	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Background'),[['chebyschev',1,3,1.0,0.0,0.0],
878	{'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[]}])
879	inst = [dict(zip(names,zip(parms,parms,codes))),{}]
880	for item in inst[0]:
881	inst[0][item] = list(inst[0][item])
882	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Instrument Parameters'),inst)
883	if 'PWDR' in name:
884	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Peak List'),[])
885	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Index Peak List'),[])
886	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Unit Cells List'),[])
887	G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Reflection Lists'),{})
888	else:
889	Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text=name+" Azm= %.2f"%(Azms[i]))
890	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Comments'),Comments)
891	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Limits'),[tuple(Xminmax),Xminmax])
892	if 'PWDR' in name:
893	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Background'),[['chebyschev',1,3,1.0,0.0,0.0],
894	{'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[]}])
895	inst = [dict(zip(names,zip(parms,parms,codes))),{}]
896	for item in inst[0]:
897	inst[0][item] = list(inst[0][item])
898	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Instrument Parameters'),inst)
899	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Sample Parameters'),Sample)
900	if 'PWDR' in name:
901	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Peak List'),[])
902	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Index Peak List'),[])
903	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Unit Cells List'),[])
904	G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Reflection Lists'),{})
905	valuesdict = {
906	'wtFactor':1.0,
907	'Dummy':False,
908	'ranId':ran.randint(0,sys.maxint),
909	}
910	G2frame.PatternTree.SetItemPyData(
911	Id,[valuesdict,
912	[np.array(X),np.array(Y),np.array(W),np.zeros(N),np.zeros(N),np.zeros(N)]])
913	G2frame.PatternTree.SelectItem(Id)
914	G2frame.PatternTree.Expand(Id)
915	G2frame.PatternId = Id
916
917	def powderFxyeSave(G2frame,exports,powderfile):
918	'Save a powder histogram as a GSAS FXYE file'
919	head,tail = ospath.split(powderfile)
920	name,ext = tail.split('.')
921	for i,export in enumerate(exports):
922	filename = ospath.join(head,name+'-%03d.'%(i)+ext)
923	prmname = filename.strip(ext)+'prm'
924	prm = open(prmname,'w') #old style GSAS parm file
925	PickId = G2gd.GetPatternTreeItemId(G2frame, G2frame.root, export)
926	Inst = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame, \
927	PickId, 'Instrument Parameters'))[0]
928	prm.write( ' 123456789012345678901234567890123456789012345678901234567890 '+'\n')
929	prm.write( 'INS BANK 1 '+'\n')
930	prm.write(('INS HTYPE %sR '+'\n')%(Inst['Type'][0]))
931	if 'Lam1' in Inst: #Ka1 & Ka2
932	prm.write(('INS 1 ICONS%10.7f%10.7f 0.0000 0.990 0 0.500 '+'\n')%(Inst['Lam1'][0],Inst['Lam2'][0]))
933	elif 'Lam' in Inst: #single wavelength
934	prm.write(('INS 1 ICONS%10.7f%10.7f 0.0000 0.990 0 0.500 '+'\n')%(Inst['Lam'][1],0.0))
935	prm.write( 'INS 1 IRAD 0 '+'\n')
936	prm.write( 'INS 1I HEAD '+'\n')
937	prm.write( 'INS 1I ITYP 0 0.0000 180.0000 1 '+'\n')
938	prm.write(('INS 1DETAZM%10.3f '+'\n')%(Inst['Azimuth'][0]))
939	prm.write( 'INS 1PRCF1 3 8 0.00100 '+'\n')
940	prm.write(('INS 1PRCF11 %15.6g%15.6g%15.6g%15.6g '+'\n')%(Inst['U'][1],Inst['V'][1],Inst['W'][1],0.0))
941	prm.write(('INS 1PRCF12 %15.6g%15.6g%15.6g%15.6g '+'\n')%(Inst['X'][1],Inst['Y'][1],Inst['SH/L'][1]/2.,Inst['SH/L'][1]/2.))
942	prm.close()
943	file = open(filename,'w')
944	print 'save powder pattern to file: ',filename
945	x,y,w,yc,yb,yd = G2frame.PatternTree.GetItemPyData(PickId)[1]
946	file.write(powderfile+'\n')
947	file.write('Instrument parameter file:'+ospath.split(prmname)[1]+'\n')
948	file.write('BANK 1 %d %d CONS %.2f %.2f 0 0 FXYE\n'%(len(x),len(x),\
949	100.x[0],100.(x[1]-x[0])))
950	s = list(np.sqrt(1./np.array(w)))
951	XYW = zip(x,y,s)
952	for X,Y,S in XYW:
953	file.write("%15.6g %15.6g %15.6g\n" % (100.*X,Y,max(S,1.0)))
954	file.close()
955	print 'powder pattern file '+filename+' written'
956
957	def powderXyeSave(G2frame,exports,powderfile):
958	'Save a powder histogram as a Topas XYE file'
959	head,tail = ospath.split(powderfile)
960	name,ext = tail.split('.')
961	for i,export in enumerate(exports):
962	filename = ospath.join(head,name+'-%03d.'%(i)+ext)
963	PickId = G2gd.GetPatternTreeItemId(G2frame, G2frame.root, export)
964	file = open(filename,'w')
965	file.write('#%s\n'%(export))
966	print 'save powder pattern to file: ',filename
967	x,y,w,yc,yb,yd = G2frame.PatternTree.GetItemPyData(PickId)[1]
968	s = list(np.sqrt(1./np.array(w)))
969	XYW = zip(x,y,s)
970	for X,Y,W in XYW:
971	file.write("%15.6g %15.6g %15.6g\n" % (X,Y,W))
972	file.close()
973	print 'powder pattern file '+filename+' written'
974
975	def PDFSave(G2frame,exports):
976	'Save a PDF G(r) and S(Q) in column formats'
977	for export in exports:
978	PickId = G2gd.GetPatternTreeItemId(G2frame, G2frame.root, export)
979	SQname = 'S(Q)'+export[4:]
980	GRname = 'G(R)'+export[4:]
981	sqfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.sq')
982	grfilename = ospath.join(G2frame.dirname,export.replace(' ','_')[5:]+'.gr')
983	sqId = G2gd.GetPatternTreeItemId(G2frame, PickId, SQname)
984	grId = G2gd.GetPatternTreeItemId(G2frame, PickId, GRname)
985	sqdata = np.array(G2frame.PatternTree.GetItemPyData(sqId)[1][:2]).T
986	grdata = np.array(G2frame.PatternTree.GetItemPyData(grId)[1][:2]).T
987	sqfile = open(sqfilename,'w')
988	grfile = open(grfilename,'w')
989	sqfile.write('#T S(Q) %s\n'%(export))
990	grfile.write('#T G(R) %s\n'%(export))
991	sqfile.write('#L Q S(Q)\n')
992	grfile.write('#L R G(R)\n')
993	for q,sq in sqdata:
994	sqfile.write("%15.6g %15.6g\n" % (q,sq))
995	sqfile.close()
996	for r,gr in grdata:
997	grfile.write("%15.6g %15.6g\n" % (r,gr))
998	grfile.close()
999
1000	def PeakListSave(G2frame,file,peaks):
1001	'Save powder peaks to a data file'
1002	print 'save peak list to file: ',G2frame.peaklistfile
1003	if not peaks:
1004	dlg = wx.MessageDialog(G2frame, 'No peaks!', 'Nothing to save!', wx.OK)
1005	try:
1006	result = dlg.ShowModal()
1007	finally:
1008	dlg.Destroy()
1009	return
1010	for peak in peaks:
1011	file.write("%10.4f %12.2f %10.3f %10.3f \n" % \
1012	(peak[0],peak[2],peak[4],peak[6]))
1013	print 'peak list saved'
1014
1015	def IndexPeakListSave(G2frame,peaks):
1016	'Save powder peaks from the indexing list'
1017	file = open(G2frame.peaklistfile,'wa')
1018	print 'save index peak list to file: ',G2frame.peaklistfile
1019	wx.BeginBusyCursor()
1020	try:
1021	if not peaks:
1022	dlg = wx.MessageDialog(G2frame, 'No peaks!', 'Nothing to save!', wx.OK)
1023	try:
1024	result = dlg.ShowModal()
1025	finally:
1026	dlg.Destroy()
1027	return
1028	for peak in peaks:
1029	file.write("%12.6f\n" % (peak[7]))
1030	file.close()
1031	finally:
1032	wx.EndBusyCursor()
1033	print 'index peak list saved'
1034
1035	def SetNewPhase(Name='New Phase',SGData=None,cell=None):
1036	'''Create a new phase dict with default values for various parameters
1037
1038	:param str Name: Name for new Phase
1039
1040	:param dict SGData: space group data from :func:`GSASIIspc:SpcGroup`;
1041	defaults to data for P 1
1042
1043	:param list cell: unit cell parameter list; defaults to
1044	[1.0,1.0,1.0,90.,90,90.,1.]
1045
1046	'''
1047	if SGData is None: SGData = G2spc.SpcGroup('P 1')[1]
1048	if cell is None: cell=[1.0,1.0,1.0,90.,90,90.,1.]
1049	phaseData = {
1050	'ranId':ran.randint(0,sys.maxint),
1051	'General':{
1052	'Name':Name,
1053	'Type':'nuclear',
1054	'AtomPtrs':[3,1,7,9],
1055	'SGData':SGData,
1056	'Cell':[False,]+cell,
1057	'Pawley dmin':1.0,
1058	'Data plot type':'None',
1059	'SH Texture':{
1060	'Order':0,
1061	'Model':'cylindrical',
1062	'Sample omega':[False,0.0],
1063	'Sample chi':[False,0.0],
1064	'Sample phi':[False,0.0],
1065	'SH Coeff':[False,{}],
1066	'SHShow':False,
1067	'PFhkl':[0,0,1],
1068	'PFxyz':[0,0,1],
1069	'PlotType':'Pole figure'}},
1070	'Atoms':[],
1071	'Drawing':{},
1072	'Histograms':{},
1073	'Pawley ref':[],
1074	'RBModels':{},
1075	}
1076	return phaseData
1077
1078	class MultipleChoicesDialog(wx.Dialog):
1079	'''A dialog that offers a series of choices, each with a
1080	title and a wx.Choice widget. Intended to be used Modally.
1081	typical input:
1082
1083	* choicelist=[ ('a','b','c'), ('test1','test2'),('no choice',)]
1084	* headinglist = [ 'select a, b or c', 'select 1 of 2', 'No option here']
1085
1086	selections are placed in self.chosen when OK is pressed
1087	'''
1088	def __init__(self,choicelist,headinglist,
1089	head='Select options',
1090	title='Please select from options below',
1091	parent=None):
1092	self.chosen = []
1093	wx.Dialog.__init__(
1094	self,parent,wx.ID_ANY,head,
1095	pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
1096	panel = wx.Panel(self)
1097	mainSizer = wx.BoxSizer(wx.VERTICAL)
1098	mainSizer.Add((10,10),1)
1099	topLabl = wx.StaticText(panel,wx.ID_ANY,title)
1100	mainSizer.Add(topLabl,0,wx.ALIGN_CENTER_VERTICAL\|wx.CENTER,10)
1101	self.ChItems = []
1102	for choice,lbl in zip(choicelist,headinglist):
1103	mainSizer.Add((10,10),1)
1104	self.chosen.append(0)
1105	topLabl = wx.StaticText(panel,wx.ID_ANY,' '+lbl)
1106	mainSizer.Add(topLabl,0,wx.ALIGN_LEFT,10)
1107	self.ChItems.append(wx.Choice(self, wx.ID_ANY, (100, 50), choices = choice))
1108	mainSizer.Add(self.ChItems[-1],0,wx.ALIGN_CENTER,10)
1109
1110	OkBtn = wx.Button(panel,-1,"Ok")
1111	OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
1112	cancelBtn = wx.Button(panel,-1,"Cancel")
1113	cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
1114	btnSizer = wx.BoxSizer(wx.HORIZONTAL)
1115	btnSizer.Add((20,20),1)
1116	btnSizer.Add(OkBtn)
1117	btnSizer.Add((20,20),1)
1118	btnSizer.Add(cancelBtn)
1119	btnSizer.Add((20,20),1)
1120	mainSizer.Add(btnSizer,0,wx.EXPAND\|wx.BOTTOM\|wx.TOP, 10)
1121	panel.SetSizer(mainSizer)
1122	panel.Fit()
1123	self.Fit()
1124
1125	def OnOk(self,event):
1126	parent = self.GetParent()
1127	if parent is not None: parent.Raise()
1128	# save the results from the choice widgets
1129	self.chosen = []
1130	for w in self.ChItems:
1131	self.chosen.append(w.GetSelection())
1132	self.EndModal(wx.ID_OK)
1133
1134	def OnCancel(self,event):
1135	parent = self.GetParent()
1136	if parent is not None: parent.Raise()
1137	self.chosen = []
1138	self.EndModal(wx.ID_CANCEL)
1139
1140	def ExtractFileFromZip(filename, selection=None, confirmread=True,
1141	confirmoverwrite=True, parent=None,
1142	multipleselect=False):
1143	'''If the filename is a zip file, extract a file from that
1144	archive.
1145
1146	:param list Selection: used to predefine the name of the file
1147	to be extracted. Filename case and zip directory name are
1148	ignored in selection; the first matching file is used.
1149
1150	:param bool confirmread: if True asks the user to confirm before expanding
1151	the only file in a zip
1152
1153	:param bool confirmoverwrite: if True asks the user to confirm
1154	before overwriting if the extracted file already exists
1155
1156	:param bool multipleselect: if True allows more than one zip
1157	file to be extracted, a list of file(s) is returned.
1158	If only one file is present, do not ask which one, otherwise
1159	offer a list of choices (unless selection is used).
1160
1161	:returns: the name of the file that has been created or a
1162	list of files (see multipleselect)
1163
1164	If the file is not a zipfile, return the name of the input file.
1165	If the zipfile is empty or no file has been selected, return None
1166	'''
1167	import zipfile # do this now, since we can save startup time by doing this only on need
1168	import shutil
1169	zloc = os.path.split(filename)[0]
1170	if not zipfile.is_zipfile(filename):
1171	#print("not zip")
1172	return filename
1173
1174	z = zipfile.ZipFile(filename,'r')
1175	zinfo = z.infolist()
1176
1177	if len(zinfo) == 0:
1178	#print('Zip has no files!')
1179	zlist = [-1]
1180	if selection:
1181	choices = [os.path.split(i.filename)[1].lower() for i in zinfo]
1182	if selection.lower() in choices:
1183	zlist = [choices.index(selection.lower())]
1184	else:
1185	print('debug: file '+str(selection)+' was not found in '+str(filename))
1186	zlist = [-1]
1187	elif len(zinfo) == 1 and confirmread:
1188	result = wx.ID_NO
1189	dlg = wx.MessageDialog(
1190	parent,
1191	'Is file '+str(zinfo[0].filename)+
1192	' what you want to extract from '+
1193	str(os.path.split(filename)[1])+'?',
1194	'Confirm file',
1195	wx.YES_NO \| wx.ICON_QUESTION)
1196	try:
1197	result = dlg.ShowModal()
1198	finally:
1199	dlg.Destroy()
1200	if result == wx.ID_NO:
1201	zlist = [-1]
1202	else:
1203	zlist = [0]
1204	elif len(zinfo) == 1:
1205	zlist = [0]
1206	elif multipleselect:
1207	# select one or more from a from list
1208	choices = [i.filename for i in zinfo]
1209	dlg = wx.MultiChoiceDialog(parent,'Select file(s) to extract from zip file'+str(filename),
1210	'Choose file(s)',choices,wx.CHOICEDLG_STYLE,)
1211	if dlg.ShowModal() == wx.ID_OK:
1212	zlist = dlg.GetSelections()
1213	else:
1214	zlist = []
1215	dlg.Destroy()
1216	else:
1217	# select one from a from list
1218	choices = [i.filename for i in zinfo]
1219	dlg = wx.SingleChoiceDialog(parent,
1220	'Select file to extract from zip file'+str(filename),'Choose file',
1221	choices,)
1222	if dlg.ShowModal() == wx.ID_OK:
1223	zlist = [dlg.GetSelection()]
1224	else:
1225	zlist = [-1]
1226	dlg.Destroy()
1227
1228	outlist = []
1229	for zindex in zlist:
1230	if zindex >= 0:
1231	efil = os.path.join(zloc, os.path.split(zinfo[zindex].filename)[1])
1232	if os.path.exists(efil) and confirmoverwrite:
1233	result = wx.ID_NO
1234	dlg = wx.MessageDialog(parent,
1235	'File '+str(efil)+' already exists. OK to overwrite it?',
1236	'Confirm overwrite',wx.YES_NO \| wx.ICON_QUESTION)
1237	try:
1238	result = dlg.ShowModal()
1239	finally:
1240	dlg.Destroy()
1241	if result == wx.ID_NO:
1242	zindex = -1
1243	if zindex >= 0:
1244	# extract the file to the current directory, regardless of it's original path
1245	#z.extract(zinfo[zindex],zloc)
1246	eloc,efil = os.path.split(zinfo[zindex].filename)
1247	outfile = os.path.join(zloc, efil)
1248	fpin = z.open(zinfo[zindex])
1249	fpout = file(outfile, "wb")
1250	shutil.copyfileobj(fpin, fpout)
1251	fpin.close()
1252	fpout.close()
1253	outlist.append(outfile)
1254	z.close()
1255	if multipleselect and len(outlist) >= 1:
1256	return outlist
1257	elif len(outlist) == 1:
1258	return outlist[0]
1259	else:
1260	return None
1261
1262	######################################################################
1263	# base classes for reading various types of data files
1264	# not used directly, only by subclassing
1265	######################################################################
1266	E,SGData = G2spc.SpcGroup('P 1') # data structure for default space group
1267	P1SGData = SGData
1268	class ImportBaseclass(object):
1269	'''Defines a base class for the reading of input files (diffraction
1270	data, coordinates,...). See :ref:`Writing a Import Routine<Import_routines>`
1271	for an explanation on how to use a subclass of this class.
1272	'''
1273	class ImportException(Exception):
1274	'''Defines an Exception that is used when an import routine hits an expected error,
1275	usually in .Reader.
1276
1277	Good practice is that the Reader should define a value in self.errors that
1278	tells the user some information about what is wrong with their file.
1279	'''
1280	pass
1281
1282	def __init__(self,
1283	formatName,
1284	longFormatName=None,
1285	extensionlist=[],
1286	strictExtension=False,
1287	):
1288	self.formatName = formatName # short string naming file type
1289	if longFormatName: # longer string naming file type
1290	self.longFormatName = longFormatName
1291	else:
1292	self.longFormatName = formatName
1293	# define extensions that are allowed for the file type
1294	# for windows, remove any extensions that are duplicate, as case is ignored
1295	if sys.platform == 'windows' and extensionlist:
1296	extensionlist = list(set([s.lower() for s in extensionlist]))
1297	self.extensionlist = extensionlist
1298	# If strictExtension is True, the file will not be read, unless
1299	# the extension matches one in the extensionlist
1300	self.strictExtension = strictExtension
1301	self.errors = ''
1302	self.warnings = ''
1303	# used for readers that will use multiple passes to read
1304	# more than one data block
1305	self.repeat = False
1306	self.repeatcount = 0
1307	#print 'created',self.__class__
1308
1309	def ReInitialize(self):
1310	'Reinitialize the Reader to initital settings'
1311	self.errors = ''
1312	self.warnings = ''
1313	self.repeat = False
1314	self.repeatcount = 0
1315
1316	def BlockSelector(self, ChoiceList, ParentFrame=None,
1317	title='Select a block',
1318	size=None, header='Block Selector',
1319	useCancel=True):
1320	''' Provide a wx dialog to select a block if the file contains more
1321	than one set of data and one must be selected
1322	'''
1323	if useCancel:
1324	dlg = wx.SingleChoiceDialog(
1325	ParentFrame,title, header,ChoiceList)
1326	else:
1327	dlg = wx.SingleChoiceDialog(
1328	ParentFrame,title, header,ChoiceList,
1329	style=wx.DEFAULT_DIALOG_STYLE\|wx.RESIZE_BORDER\|wx.OK\|wx.CENTRE)
1330	if size: dlg.SetSize(size)
1331	dlg.CenterOnParent()
1332	if dlg.ShowModal() == wx.ID_OK:
1333	sel = dlg.GetSelection()
1334	return sel
1335	else:
1336	return None
1337	dlg.Destroy()
1338
1339	def MultipleBlockSelector(self, ChoiceList, ParentFrame=None,
1340	title='Select a block',size=None, header='Block Selector'):
1341	'''Provide a wx dialog to select a block of data if the
1342	file contains more than one set of data and one must be
1343	selected.
1344
1345	:returns: a list of the selected blocks
1346	'''
1347	dlg = wx.MultiChoiceDialog(ParentFrame,title, header,ChoiceList+['Select all'],
1348	wx.CHOICEDLG_STYLE)
1349	dlg.CenterOnParent()
1350	if size: dlg.SetSize(size)
1351	if dlg.ShowModal() == wx.ID_OK:
1352	sel = dlg.GetSelections()
1353	else:
1354	return []
1355	dlg.Destroy()
1356	selected = []
1357	if len(ChoiceList) in sel:
1358	return range(len(ChoiceList))
1359	else:
1360	return sel
1361	return selected
1362
1363	def MultipleChoicesDialog(self, choicelist, headinglist, ParentFrame=None, **kwargs):
1364	'''A modal dialog that offers a series of choices, each with a title and a wx.Choice
1365	widget. Typical input:
1366
1367	* choicelist=[ ('a','b','c'), ('test1','test2'),('no choice',)]
1368
1369	* headinglist = [ 'select a, b or c', 'select 1 of 2', 'No option here']
1370
1371	optional keyword parameters are: head (window title) and title
1372	returns a list of selected indicies for each choice (or None)
1373	'''
1374	result = None
1375	dlg = MultipleChoicesDialog(choicelist,headinglist,
1376	parent=ParentFrame, **kwargs)
1377	dlg.CenterOnParent()
1378	if dlg.ShowModal() == wx.ID_OK:
1379	result = dlg.chosen
1380	dlg.Destroy()
1381	return result
1382
1383	def ShowBusy(self):
1384	wx.BeginBusyCursor()
1385	wx.Yield() # make it happen now!
1386
1387	def DoneBusy(self):
1388	wx.EndBusyCursor()
1389	wx.Yield() # make it happen now!
1390
1391	# def Reader(self, filename, filepointer, ParentFrame=None, **unused):
1392	# '''This method must be supplied in the child class to read the file.
1393	# if the read fails either return False or raise an Exception
1394	# preferably of type ImportException.
1395	# '''
1396	# #start reading
1397	# raise ImportException("Error occurred while...")
1398	# self.errors += "Hint for user on why the error occur
1399	# return False # if an error occurs
1400	# return True # if read OK
1401
1402	def ExtensionValidator(self, filename):
1403	'''This methods checks if the file has the correct extension
1404	Return False if this filename will not be supported by this reader
1405	Return True if the extension matches the list supplied by the reader
1406	Return None if the reader allows un-registered extensions
1407	'''
1408	if filename:
1409	ext = os.path.splitext(filename)[1]
1410	if sys.platform == 'windows': ext = ext.lower()
1411	if ext in self.extensionlist: return True
1412	if self.strictExtension: return False
1413	return None
1414
1415	def ContentsValidator(self, filepointer):
1416	'''This routine will attempt to determine if the file can be read
1417	with the current format.
1418	This will typically be overridden with a method that
1419	takes a quick scan of [some of]
1420	the file contents to do a "sanity" check if the file
1421	appears to match the selected format.
1422	Expected to be called via self.Validator()
1423	'''
1424	#filepointer.seek(0) # rewind the file pointer
1425	return True
1426
1427	def CIFValidator(self, filepointer):
1428	'''A :meth:`ContentsValidator` for use to validate CIF files.
1429	'''
1430	for i,l in enumerate(filepointer):
1431	if i >= 1000: return True
1432	'''Encountered only blank lines or comments in first 1000
1433	lines. This is unlikely, but assume it is CIF anyway, since we are
1434	even less likely to find a file with nothing but hashes and
1435	blank lines'''
1436	line = l.strip()
1437	if len(line) == 0: # ignore blank lines
1438	continue
1439	elif line.startswith('#'): # ignore comments
1440	continue
1441	elif line.startswith('data_'): # on the right track, accept this file
1442	return True
1443	else: # found something invalid
1444	self.errors = 'line '+str(i+1)+' contains unexpected data:\n'
1445	self.errors += ' '+str(l)
1446	self.errors += ' Note: a CIF should only have blank lines or comments before'
1447	self.errors += ' a data_ statement begins a block.'
1448	return False
1449
1450	class ImportPhase(ImportBaseclass):
1451	'''Defines a base class for the reading of files with coordinates
1452
1453	Objects constructed that subclass this (in import/G2phase_*.py) will be used
1454	in :meth:`GSASII.GSASII.OnImportPhase`.
1455	See :ref:`Writing a Import Routine<Import_Routines>`
1456	for an explanation on how to use this class.
1457
1458	'''
1459	def __init__(self,formatName,longFormatName=None,extensionlist=[],
1460	strictExtension=False,):
1461	# call parent __init__
1462	ImportBaseclass.__init__(self,formatName,longFormatName,
1463	extensionlist,strictExtension)
1464	self.Phase = None # a phase must be created with G2IO.SetNewPhase in the Reader
1465	self.Constraints = None
1466
1467	def PhaseSelector(self, ChoiceList, ParentFrame=None,
1468	title='Select a phase', size=None,header='Phase Selector'):
1469	''' Provide a wx dialog to select a phase if the file contains more
1470	than one phase
1471	'''
1472	return self.BlockSelector(ChoiceList,ParentFrame,title,
1473	size,header)
1474
1475	class ImportStructFactor(ImportBaseclass):
1476	'''Defines a base class for the reading of files with tables
1477	of structure factors.
1478
1479	Structure factors are read with a call to :meth:`GSASII.GSASII.OnImportSfact`
1480	which in turn calls :meth:`GSASII.GSASII.OnImportGeneric`, which calls
1481	methods :meth:`ExtensionValidator`, :meth:`ContentsValidator` and
1482	:meth:`Reader`.
1483
1484	See :ref:`Writing a Import Routine<Import_Routines>`
1485	for an explanation on how to use import classes in general. The specifics
1486	for reading a structure factor histogram require that
1487	the ``Reader()`` routine in the import
1488	class need to do only a few things: It
1489	should load :attr:`RefDict` item ``'RefList'`` with the reflection list,
1490	and set :attr:`Parameters` with the instrument parameters
1491	(initialized with :meth:`InitParameters` and set with :meth:`UpdateParameters`).
1492	Also, set :attr:`Controls`,
1493	which specifies how the histogram is plotted
1494	(initialized with :meth:`InitControls` and set with :meth:`UpdateControls`).
1495	'''
1496	def __init__(self,formatName,longFormatName=None,extensionlist=[],
1497	strictExtension=False,):
1498	ImportBaseclass.__init__(self,formatName,longFormatName,
1499	extensionlist,strictExtension)
1500
1501	# define contents of Structure Factor entry
1502	self.Parameters = []
1503	'self.Parameters is a list with two dicts for data parameter settings'
1504	self.InitParameters()
1505	self.Controls = {}
1506	'self.Controls is a dict with plotting controls'
1507	self.InitControls() # initialize the above
1508	self.RefDict = {'RefList':[],'FF':[]}
1509	'''self.RefDict is a dict containing the reflection information, as read from the file.
1510	Item 'RefList' contains the reflection information. See the
1511	:ref:`Single Crystal Reflection Data Structure<XtalRefl_table>`
1512	for the contents of each row. Dict element 'FF'
1513	contains the form factor values for each element type; if this entry
1514	is left as initialized (an empty list) it will be initialized as needed later.
1515	'''
1516	def ReInitialize(self):
1517	'Reinitialize the Reader to initital settings'
1518	ImportBaseclass.ReInitialize(self)
1519	self.InitParameters()
1520	self.InitControls()
1521	self.RefDict = {'RefList':[],'FF':[]}
1522
1523
1524	def InitControls(self):
1525	'initialize the controls structure'
1526	self.Controls = { # dictionary with plotting controls
1527	'Type' : 'Fosq',
1528	'ifFc' : False, #
1529	'HKLmax' : [None,None,None],
1530	'HKLmin' : [None,None,None],
1531	'FoMax' : None, # maximum observed structure factor as Fo
1532	'Zone' : '001',
1533	'Layer' : 0,
1534	'Scale' : 1.0,
1535	'log-lin' : 'lin',
1536	}
1537
1538	def InitParameters(self):
1539	'initialize the instrument parameters structure'
1540	Lambda = 0.70926
1541	HistType = 'SXC'
1542	self.Parameters = [{'Type':[HistType,HistType], # create the structure
1543	'Lam':[Lambda,Lambda]
1544	}, {}]
1545	'Parameters is a list with two dicts for data parameter settings'
1546
1547	def UpdateParameters(self,Type=None,Wave=None):
1548	'Revise the instrument parameters'
1549	if Type is not None:
1550	self.Parameters[0]['Type'] = [Type,Type]
1551	if Wave is not None:
1552	self.Parameters[0]['Lam'] = [Wave,Wave]
1553
1554	def UpdateControls(self,Type='Fosq',FcalcPresent=False):
1555	'''Scan through the reflections to update the Controls dictionary
1556	'''
1557	self.Controls['Type'] = Type
1558	self.Controls['ifFc'] = FcalcPresent
1559	HKLmax = [None,None,None]
1560	HKLmin = [None,None,None]
1561	Fo2max = None
1562	for refl in self.RefDict['RefList']:
1563	HKL = refl[:3]
1564	if Fo2max is None:
1565	Fo2max = refl[8]
1566	else:
1567	Fo2max = max(Fo2max,refl[8])
1568	for i,hkl in enumerate(HKL):
1569	if HKLmax[i] is None:
1570	HKLmax[i] = hkl
1571	HKLmin[i] = hkl
1572	else:
1573	HKLmax[i] = max(HKLmax[i],hkl)
1574	HKLmin[i] = min(HKLmin[i],hkl)
1575	self.Controls['HKLmax'] = HKLmax
1576	self.Controls['HKLmin'] = HKLmin
1577	if Type == 'Fosq':
1578	self.Controls['FoMax'] = np.sqrt(Fo2max)
1579	elif Type == 'Fo':
1580	self.Controls['FoMax'] = Fo2max
1581	else:
1582	print "Unsupported Struct Fact type in ImportStructFactor.UpdateControls"
1583	raise Exception,"Unsupported Struct Fact type in ImportStructFactor.UpdateControls"
1584
1585	######################################################################
1586	class ImportPowderData(ImportBaseclass):
1587	'''Defines a base class for the reading of files with powder data.
1588	See :ref:`Writing a Import Routine<Import_Routines>`
1589	for an explanation on how to use this class.
1590	'''
1591	# define some default instrument parameter files
1592	# just like GSAS, sigh
1593	defaultIparm_lbl = []
1594	defaultIparms = []
1595	defaultIparm_lbl.append('CuKa lab data')
1596	defaultIparms.append({
1597	'INS HTYPE ':'PXC ',
1598	'INS 1 ICONS':' 1.540500 1.544300 0.0 0 0.7 0 0.5 ',
1599	'INS 1PRCF1 ':' 3 8 0.01 ',
1600	'INS 1PRCF11':' 2.000000E+00 -2.000000E+00 5.000000E+00 0.000000E+00 ',
1601	'INS 1PRCF12':' 0.000000E+00 0.000000E+00 0.150000E-01 0.150000E-01 ',
1602	})
1603	defaultIparm_lbl.append('0.6A synch')
1604	defaultIparms.append({
1605	'INS HTYPE ':'PXC ',
1606	'INS 1 ICONS':' 0.600000 0.000000 0.0 0 0.99 0 0.5 ',
1607	'INS 1PRCF1 ':' 3 8 0.01 ',
1608	'INS 1PRCF11':' 1.000000E+00 -1.000000E+00 0.300000E+00 0.000000E+00 ',
1609	'INS 1PRCF12':' 0.000000E+00 0.000000E+00 0.100000E-01 0.100000E-01 ',
1610	})
1611	defaultIparm_lbl.append('1.5A CW neutron data')
1612	defaultIparms.append({
1613	'INS HTYPE ':'PNC',
1614	'INS 1 ICONS':' 1.54020 0.00000 0.04000 0',
1615	'INS 1PRCF1 ':' 3 8 0.005',
1616	'INS 1PRCF11':' 0.239700E+03 -0.298200E+03 0.180800E+03 0.000000E+00',
1617	'INS 1PRCF12':' 0.000000E+00 0.000000E+00 0.400000E-01 0.300000E-01',
1618	})
1619	defaultIparm_lbl.append('10m TOF backscattering bank')
1620	defaultIparms.append({
1621	'INS HTYPE ':'PNT',
1622	'INS 1 ICONS':' 5000.00 0.00 0.00',
1623	'INS 1BNKPAR':' 1.0000 150.000',
1624	'INS 1PRCF1 ':' 1 8 0.01000',
1625	'INS 1PRCF11':' 0.000000E+00 5.000000E+00 3.000000E-02 1.000000E-03',
1626	'INS 1PRCF12':' 0.000000E+00 4.000000E+01 0.000000E+00 0.000000E+00',
1627	})
1628	defaultIparm_lbl.append('10m TOF 90deg bank')
1629	defaultIparms.append({
1630	'INS HTYPE ':'PNT',
1631	'INS 1 ICONS':' 3500.00 0.00 0.00',
1632	'INS 1BNKPAR':' 1.0000 90.000',
1633	'INS 1PRCF1 ':' 1 8 0.01000',
1634	'INS 1PRCF11':' 0.000000E+00 5.000000E+00 3.000000E-02 4.000000E-03',
1635	'INS 1PRCF12':' 0.000000E+00 8.000000E+01 0.000000E+00 0.000000E+00',
1636	})
1637	defaultIparm_lbl.append('63m POWGEN 90deg bank')
1638	defaultIparms.append({
1639	'INS HTYPE ':'PNT',
1640	'INS 1 ICONS':' 22585.80 0.00 0.00',
1641	'INS 1BNKPAR':' 1.0000 90.000',
1642	'INS 1PRCF1 ':' 1 8 0.01000',
1643	'INS 1PRCF11':' 0.000000E+00 1.000000E+00 3.000000E-02 4.000000E-03',
1644	'INS 1PRCF12':' 0.000000E+00 8.000000E+01 0.000000E+00 0.000000E+00',
1645	})
1646	def __init__(self,
1647	formatName,
1648	longFormatName=None,
1649	extensionlist=[],
1650	strictExtension=False,
1651	):
1652	ImportBaseclass.__init__(self,formatName,
1653	longFormatName,
1654	extensionlist,
1655	strictExtension)
1656	self.powderentry = ['',None,None] # (filename,Pos,Bank)
1657	self.powderdata = [] # Powder dataset
1658	'''A powder data set is a list with items [x,y,w,yc,yb,yd]:
1659	np.array(x), # x-axis values
1660	np.array(y), # powder pattern intensities
1661	np.array(w), # 1/sig(intensity)^2 values (weights)
1662	np.array(yc), # calc. intensities (zero)
1663	np.array(yb), # calc. background (zero)
1664	np.array(yd), # obs-calc profiles
1665	'''
1666	self.comments = []
1667	self.idstring = ''
1668	self.Sample = G2pdG.SetDefaultSample()
1669	self.GSAS = None # used in TOF
1670	self.clockWd = None # used in TOF
1671	self.repeat_instparm = True # Should a parm file be
1672	# used for multiple histograms?
1673	self.instparm = None # name hint
1674	self.instfile = '' # full path name to instrument parameter file
1675	self.instbank = '' # inst parm bank number
1676	self.instmsg = '' # a label that gets printed to show
1677	# where instrument parameters are from
1678	self.numbanks = 1
1679	self.instdict = {} # place items here that will be transferred to the instrument parameters
1680	######################################################################
1681	class ImportSmallAngleData(ImportBaseclass):
1682	'''Defines a base class for the reading of files with small angle data.
1683	See :ref:`Writing a Import Routine<Import_Routines>`
1684	for an explanation on how to use this class.
1685	'''
1686	def __init__(self,formatName,longFormatName=None,extensionlist=[],
1687	strictExtension=False,):
1688
1689	ImportBaseclass.__init__(self,formatName,longFormatName,extensionlist,
1690	strictExtension)
1691	self.smallangleentry = ['',None,None] # (filename,Pos,Bank)
1692	self.smallangledata = [] # SASD dataset
1693	'''A small angle data set is a list with items [x,y,w,yc,yd]:
1694	np.array(x), # x-axis values
1695	np.array(y), # powder pattern intensities
1696	np.array(w), # 1/sig(intensity)^2 values (weights)
1697	np.array(yc), # calc. intensities (zero)
1698	np.array(yd), # obs-calc profiles
1699	'''
1700	self.comments = []
1701	self.idstring = ''
1702	self.Sample = G2pdG.SetDefaultSample()
1703	self.GSAS = None # used in TOF
1704	self.clockWd = None # used in TOF
1705	self.numbanks = 1
1706	self.instdict = {} # place items here that will be transferred to the instrument parameters
1707	######################################################################
1708	class ExportBaseclass(object):
1709	'''Defines a base class for the exporting of GSAS-II results
1710	'''
1711	def __init__(self,
1712	G2frame,
1713	formatName,
1714	extension,
1715	longFormatName=None,
1716	):
1717	self.G2frame = G2frame
1718	self.formatName = formatName # short string naming file type
1719	self.extension = extension
1720	if longFormatName: # longer string naming file type
1721	self.longFormatName = longFormatName
1722	else:
1723	self.longFormatName = formatName
1724	self.OverallParms = {}
1725	self.Phases = {}
1726	self.Histograms = {}
1727	self.powderDict = {}
1728	self.xtalDict = {}
1729	self.parmDict = {}
1730	self.sigDict = {}
1731	# updated in InitExport:
1732	self.currentExportType = None # type of export that has been requested
1733	# updated in ExportSelect (when used):
1734	self.phasenam = None # a list of selected phases
1735	self.histnam = None # a list of selected histograms
1736	self.filename = None # name of file to be written
1737
1738	# items that should be defined in a subclass of this class
1739	self.exporttype = [] # defines the type(s) of exports that the class can handle.
1740	# The following types are defined: 'project', "phase", "powder", "single"
1741	self.multiple = False # set as True if the class can export multiple phases or histograms
1742	# self.multiple is ignored for "project" exports
1743
1744	def InitExport(self,event):
1745	'''Determines the type of menu that called the Exporter.
1746	'''
1747	if event:
1748	self.currentExportType = self.G2frame.ExportLookup.get(event.Id)
1749
1750	def ExportSelect(self,AskFile=True):
1751	'''Selects histograms or phases when needed. Sets a default file name.
1752
1753	:param bool AskFile: if AskFile is True (default) get the name of the file
1754	in a dialog
1755	:returns: True in case of an error
1756	'''
1757
1758	if self.currentExportType == 'phase':
1759	if len(self.Phases) == 0:
1760	self.G2frame.ErrorDialog(
1761	'Empty project',
1762	'Project does not contain any phases.')
1763	return True
1764	elif len(self.Phases) == 1:
1765	self.phasenam = self.Phases.keys()
1766	elif self.multiple:
1767	choices = sorted(self.Phases.keys())
1768	phasenum = G2gd.ItemSelector(choices,self.G2frame,multiple=True)
1769	if phasenum is None: return True
1770	self.phasenam = [choices[i] for i in phasenum]
1771	if not self.phasenam: return True
1772	else:
1773	choices = sorted(self.Phases.keys())
1774	phasenum = G2gd.ItemSelector(choices,self.G2frame)
1775	if phasenum is None: return True
1776	self.phasenam = [choices[phasenum]]
1777	elif self.currentExportType == 'single':
1778	if len(self.xtalDict) == 0:
1779	self.G2frame.ErrorDialog(
1780	'Empty project',
1781	'Project does not contain any single crystal data.')
1782	return True
1783	elif len(self.xtalDict) == 1:
1784	self.histnam = self.xtalDict.values()
1785	elif self.multiple:
1786	choices = sorted(self.xtalDict.values())
1787	hnum = G2gd.ItemSelector(choices,self.G2frame,multiple=True)
1788	if not hnum: return True
1789	self.histnam = [choices[i] for i in hnum]
1790	else:
1791	choices = sorted(self.xtalDict.values())
1792	hnum = G2gd.ItemSelector(choices,self.G2frame)
1793	if hnum is None: return True
1794	self.histnam = [choices[hnum]]
1795	elif self.currentExportType == 'powder':
1796	if len(self.powderDict) == 0:
1797	self.G2frame.ErrorDialog(
1798	'Empty project',
1799	'Project does not contain any powder data.')
1800	return True
1801	elif len(self.powderDict) == 1:
1802	self.histnam = self.powderDict.values()
1803	elif self.multiple:
1804	choices = sorted(self.powderDict.values())
1805	hnum = G2gd.ItemSelector(choices,self.G2frame,multiple=True)
1806	if not hnum: return True
1807	self.histnam = [choices[i] for i in hnum]
1808	else:
1809	choices = sorted(self.powderDict.values())
1810	hnum = G2gd.ItemSelector(choices,self.G2frame)
1811	if hnum is None: return True
1812	self.histnam = [choices[hnum]]
1813	elif self.currentExportType == 'image':
1814	if len(self.Histograms) == 0:
1815	self.G2frame.ErrorDialog(
1816	'Empty project',
1817	'Project does not contain any images.')
1818	return True
1819	elif len(self.Histograms) == 1:
1820	self.histnam = self.Histograms.keys()
1821	else:
1822	choices = sorted(self.Histograms.keys())
1823	hnum = G2gd.ItemSelector(choices,self.G2frame,multiple=self.multiple)
1824	if self.multiple:
1825	if not hnum: return True
1826	self.histnam = [choices[i] for i in hnum]
1827	else:
1828	if hnum is None: return True
1829	self.histnam = [choices[hnum]]
1830	if self.currentExportType == 'map':
1831	# search for phases with maps
1832	mapPhases = []
1833	choices = []
1834	for phasenam in sorted(self.Phases):
1835	phasedict = self.Phases[phasenam] # pointer to current phase info
1836	if len(phasedict['General']['Map'].get('rho',[])):
1837	mapPhases.append(phasenam)
1838	if phasedict['General']['Map'].get('Flip'):
1839	choices.append('Charge flip map: '+str(phasenam))
1840	elif phasedict['General']['Map'].get('MapType'):
1841	choices.append(
1842	str(phasedict['General']['Map'].get('MapType'))
1843	+ ' map: ' + str(phasenam))
1844	else:
1845	choices.append('unknown map: '+str(phasenam))
1846	# select a map if needed
1847	if len(mapPhases) == 0:
1848	self.G2frame.ErrorDialog(
1849	'Empty project',
1850	'Project does not contain any maps.')
1851	return True
1852	elif len(mapPhases) == 1:
1853	self.phasenam = mapPhases
1854	else:
1855	phasenum = G2gd.ItemSelector(choices,self.G2frame,multiple=self.multiple)
1856	if self.multiple:
1857	if not phasenum: return True
1858	self.phasenam = [mapPhases[i] for i in phasenum]
1859	else:
1860	if phasenum is None: return True
1861	self.phasenam = [mapPhases[phasenum]]
1862
1863	if AskFile:
1864	self.filename = self.askSaveFile()
1865	else:
1866	self.filename = self.defaultSaveFile()
1867	if not self.filename: return True
1868
1869	# def SetupExport(self,event,AskFile=True):
1870	# '''Determines the type of menu that called the Exporter. Selects histograms
1871	# or phases when needed. Better to replace with individual calls to
1872	# self.InitExport() and self.ExportSelect() so that the former can be called prior
1873	# to self.LoadTree()
1874
1875	# :param bool AskFile: if AskFile is True (default) get the name of the file
1876	# in a dialog
1877	# :returns: True in case of an error
1878	# '''
1879	# self.ExportInit(event)
1880	# return self.ExportSelect(AskFile)
1881
1882	def loadParmDict(self):
1883	'''Load the GSAS-II refinable parameters from the tree into a dict (self.parmDict). Update
1884	refined values to those from the last cycle and set the uncertainties for the
1885	refined parameters in another dict (self.sigDict).
1886
1887	Expands the parm & sig dicts to include values derived from constraints.
1888	'''
1889	self.parmDict = {}
1890	self.sigDict = {}
1891	rigidbodyDict = {}
1892	covDict = {}
1893	consDict = {}
1894	Histograms,Phases = self.G2frame.GetUsedHistogramsAndPhasesfromTree()
1895	if self.G2frame.PatternTree.IsEmpty(): return # nothing to do
1896	item, cookie = self.G2frame.PatternTree.GetFirstChild(self.G2frame.root)
1897	while item:
1898	name = self.G2frame.PatternTree.GetItemText(item)
1899	if name == 'Rigid bodies':
1900	rigidbodyDict = self.G2frame.PatternTree.GetItemPyData(item)
1901	elif name == 'Covariance':
1902	covDict = self.G2frame.PatternTree.GetItemPyData(item)
1903	elif name == 'Constraints':
1904	consDict = self.G2frame.PatternTree.GetItemPyData(item)
1905	item, cookie = self.G2frame.PatternTree.GetNextChild(self.G2frame.root, cookie)
1906	rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,Print=False)
1907	self.parmDict.update(rbDict)
1908	rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
1909	Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables = G2stIO.GetPhaseData(
1910	Phases,RestraintDict=None,rbIds=rbIds,Print=False)
1911	self.parmDict.update(phaseDict)
1912	hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(
1913	Phases,Histograms,Print=False,resetRefList=False)
1914	self.parmDict.update(hapDict)
1915	histVary,histDict,controlDict = G2stIO.GetHistogramData(Histograms,Print=False)
1916	self.parmDict.update(histDict)
1917	self.parmDict.update(zip(
1918	covDict.get('varyList',[]),
1919	covDict.get('variables',[])))
1920	self.sigDict = dict(zip(
1921	covDict.get('varyList',[]),
1922	covDict.get('sig',[])))
1923	# expand to include constraints: first compile a list of constraints
1924	constList = []
1925	for item in consDict:
1926	if item.startswith('_'): continue
1927	constList += consDict[item]
1928	# now process the constraints
1929	G2mv.InitVars()
1930	constDict,fixedList,ignored = G2stIO.ProcessConstraints(constList)
1931	varyList = covDict.get('varyListStart')
1932	if varyList is None and len(constDict) == 0:
1933	# no constraints can use varyList
1934	varyList = covDict.get('varyList')
1935	elif varyList is None:
1936	# old GPX file from before pre-constraint varyList is saved
1937	print ' * Old refinement: Please use Calculate/Refine to redo *'
1938	raise Exception(' * Export aborted *')
1939	else:
1940	varyList = list(varyList)
1941	try:
1942	groups,parmlist = G2mv.GroupConstraints(constDict)
1943	G2mv.GenerateConstraints(groups,parmlist,varyList,constDict,fixedList)
1944	except:
1945	# this really should not happen
1946	print ' * ERROR - constraints are internally inconsistent *'
1947	errmsg, warnmsg = G2mv.CheckConstraints(varyList,constDict,fixedList)
1948	print 'Errors',errmsg
1949	if warnmsg: print 'Warnings',warnmsg
1950	raise Exception(' * CIF creation aborted *')
1951	# add the constrained values to the parameter dictionary
1952	G2mv.Dict2Map(self.parmDict,varyList)
1953	# and add their uncertainties into the esd dictionary (sigDict)
1954	if covDict.get('covMatrix') is not None:
1955	self.sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],covDict['varyList'],self.parmDict))
1956
1957	def loadTree(self):
1958	'''Load the contents of the data tree into a set of dicts
1959	(self.OverallParms, self.Phases and self.Histogram as well as self.powderDict
1960	& self.xtalDict)
1961
1962	* The childrenless data tree items are overall parameters/controls for the
1963	entire project and are placed in self.OverallParms
1964	* Phase items are placed in self.Phases
1965	* Data items are placed in self.Histogram. The key for these data items
1966	begin with a keyword, such as PWDR, IMG, HKLF,... that identifies the data type.
1967	'''
1968	self.OverallParms = {}
1969	self.powderDict = {}
1970	self.xtalDict = {}
1971	self.Phases = {}
1972	self.Histograms = {}
1973	if self.G2frame.PatternTree.IsEmpty(): return # nothing to do
1974	histType = None
1975	if self.currentExportType == 'phase':
1976	# if exporting phases load them here
1977	sub = G2gd.GetPatternTreeItemId(self.G2frame,self.G2frame.root,'Phases')
1978	if not sub:
1979	print 'no phases found'
1980	return True
1981	item, cookie = self.G2frame.PatternTree.GetFirstChild(sub)
1982	while item:
1983	phaseName = self.G2frame.PatternTree.GetItemText(item)
1984	self.Phases[phaseName] = self.G2frame.PatternTree.GetItemPyData(item)
1985	item, cookie = self.G2frame.PatternTree.GetNextChild(sub, cookie)
1986	return
1987	elif self.currentExportType == 'single':
1988	histType = 'HKLF'
1989	elif self.currentExportType == 'powder':
1990	histType = 'PWDR'
1991	elif self.currentExportType == 'image':
1992	histType = 'IMG'
1993
1994	if histType: # Loading just one kind of tree entry
1995	item, cookie = self.G2frame.PatternTree.GetFirstChild(self.G2frame.root)
1996	while item:
1997	name = self.G2frame.PatternTree.GetItemText(item)
1998	if name.startswith(histType):
1999	if self.Histograms.get(name): # there is already an item with this name
2000	print('Histogram name '+str(name)+' is repeated. Renaming')
2001	if name[-1] == '9':
2002	name = name[:-1] + '10'
2003	elif name[-1] in '012345678':
2004	name = name[:-1] + str(int(name[-1])+1)
2005	else:
2006	name += '-1'
2007	self.Histograms[name] = {}
2008	# the main info goes into Data, but the 0th
2009	# element contains refinement results, carry
2010	# that over too now.
2011	self.Histograms[name]['Data'] = self.G2frame.PatternTree.GetItemPyData(item)[1]
2012	self.Histograms[name][0] = self.G2frame.PatternTree.GetItemPyData(item)[0]
2013	item2, cookie2 = self.G2frame.PatternTree.GetFirstChild(item)
2014	while item2:
2015	child = self.G2frame.PatternTree.GetItemText(item2)
2016	self.Histograms[name][child] = self.G2frame.PatternTree.GetItemPyData(item2)
2017	item2, cookie2 = self.G2frame.PatternTree.GetNextChild(item, cookie2)
2018	item, cookie = self.G2frame.PatternTree.GetNextChild(self.G2frame.root, cookie)
2019	# index powder and single crystal histograms by number
2020	for hist in self.Histograms:
2021	if hist.startswith("PWDR"):
2022	d = self.powderDict
2023	elif hist.startswith("HKLF"):
2024	d = self.xtalDict
2025	else:
2026	return
2027	i = self.Histograms[hist].get('hId')
2028	if i is None and not d.keys():
2029	i = 0
2030	elif i is None or i in d.keys():
2031	i = max(d.keys())+1
2032	d[i] = hist
2033	return
2034	# else standard load: using all interlinked phases and histograms
2035	self.Histograms,self.Phases = self.G2frame.GetUsedHistogramsAndPhasesfromTree()
2036	item, cookie = self.G2frame.PatternTree.GetFirstChild(self.G2frame.root)
2037	while item:
2038	name = self.G2frame.PatternTree.GetItemText(item)
2039	item2, cookie2 = self.G2frame.PatternTree.GetFirstChild(item)
2040	if not item2:
2041	self.OverallParms[name] = self.G2frame.PatternTree.GetItemPyData(item)
2042	item, cookie = self.G2frame.PatternTree.GetNextChild(self.G2frame.root, cookie)
2043	# index powder and single crystal histograms
2044	for hist in self.Histograms:
2045	i = self.Histograms[hist]['hId']
2046	if hist.startswith("PWDR"):
2047	self.powderDict[i] = hist
2048	elif hist.startswith("HKLF"):
2049	self.xtalDict[i] = hist
2050
2051	def dumpTree(self,mode='type'):
2052	'''Print out information on the data tree dicts loaded in loadTree
2053	'''
2054	print '\nOverall'
2055	if mode == 'type':
2056	def Show(arg): return type(arg)
2057	else:
2058	def Show(arg): return arg
2059	for key in self.OverallParms:
2060	print ' ',key,Show(self.OverallParms[key])
2061	print 'Phases'
2062	for key1 in self.Phases:
2063	print ' ',key1,Show(self.Phases[key1])
2064	print 'Histogram'
2065	for key1 in self.Histograms:
2066	print ' ',key1,Show(self.Histograms[key1])
2067	for key2 in self.Histograms[key1]:
2068	print ' ',key2,Show(self.Histograms[key1][key2])
2069
2070	def defaultSaveFile(self):
2071	return os.path.abspath(
2072	os.path.splitext(self.G2frame.GSASprojectfile
2073	)[0]+self.extension)
2074
2075	def askSaveFile(self):
2076	'''Ask the user to supply a file name
2077
2078	:returns: a file name (str)
2079	'''
2080	defnam = os.path.splitext(
2081	os.path.split(self.G2frame.GSASprojectfile)[1]
2082	)[0]+self.extension
2083	dlg = wx.FileDialog(
2084	self.G2frame, 'Input name for file to write', '.', defnam,
2085	self.longFormatName+' ('+self.extension+')\|'+self.extension,
2086	wx.FD_SAVE\|wx.FD_OVERWRITE_PROMPT\|wx.CHANGE_DIR)
2087	dlg.CenterOnParent()
2088	try:
2089	if dlg.ShowModal() == wx.ID_OK:
2090	filename = dlg.GetPath()
2091	# make sure extension is correct
2092	filename = os.path.splitext(filename)[0]+self.extension
2093	else:
2094	filename = None
2095	finally:
2096	dlg.Destroy()
2097	return filename
2098
2099	# Tools for file writing.
2100	def OpenFile(self,fil=None):
2101	'''Open the output file
2102
2103	:param str fil: The name of the file to open. If None (default)
2104	the name defaults to self.filename.
2105	:returns: the file object opened by the routine which is also
2106	saved as self.fp
2107	'''
2108	if not fil:
2109	fil = self.filename
2110	self.fp = open(fil,'w')
2111	return self.fp
2112	def Write(self,line):
2113	'''write a line of output, attaching a line-end character
2114
2115	:param str line: the text to be written.
2116	'''
2117	self.fp.write(line+'\n')
2118	def CloseFile(self,fp=None):
2119	'''Close a file opened in OpenFile
2120
2121	:param file fp: the file object to be closed. If None (default)
2122	file object self.fp is closed.
2123	'''
2124	if fp is None:
2125	fp = self.fp
2126	self.fp = None
2127	fp.close()
2128	# Tools to pull information out of the data arrays
2129	def GetCell(self,phasenam):
2130	"""Gets the unit cell parameters and their s.u.'s for a selected phase
2131
2132	:param str phasenam: the name for the selected phase
2133	:returns: `cellList,cellSig` where each is a 7 element list corresponding
2134	to a, b, c, alpha, beta, gamma, volume where `cellList` has the
2135	cell values and `cellSig` has their uncertainties.
2136	"""
2137	phasedict = self.Phases[phasenam] # pointer to current phase info
2138	try:
2139	pfx = str(phasedict['pId'])+'::'
2140	A,sigA = G2stIO.cellFill(pfx,phasedict['General']['SGData'],self.parmDict,self.sigDict)
2141	cellSig = G2stIO.getCellEsd(pfx,
2142	phasedict['General']['SGData'],A,
2143	self.OverallParms['Covariance']) # returns 7 vals, includes sigVol
2144	cellList = G2lat.A2cell(A) + (G2lat.calc_V(A),)
2145	return cellList,cellSig
2146	except KeyError:
2147	cell = phasedict['General']['Cell'][1:]
2148	return cell,7*[0]
2149
2150	def GetAtoms(self,phasenam):
2151	"""Gets the atoms associated with a phase. Can be used with standard
2152	or macromolecular phases
2153
2154	:param str phasenam: the name for the selected phase
2155	:returns: a list of items for eac atom where each item is a list containing:
2156	label, typ, mult, xyz, and td, where
2157
2158	* label and typ are the atom label and the scattering factor type (str)
2159	* mult is the site multiplicity (int)
2160	* xyz is contains a list with four pairs of numbers:
2161	x, y, z and fractional occupancy and
2162	their standard uncertainty (or a negative value)
2163	* td is contains a list with either one or six pairs of numbers:
2164	if one number it is U\ :sub:`iso` and with six numbers it is
2165	U\ :sub:`11`, U\ :sub:`22`, U\ :sub:`33`, U\ :sub:`12`, U\ :sub:`13` & U\ :sub:`23`
2166	paired with their standard uncertainty (or a negative value)
2167	"""
2168	phasedict = self.Phases[phasenam] # pointer to current phase info
2169	cx,ct,cs,cia = phasedict['General']['AtomPtrs']
2170	cfrac = cx+3
2171	fpfx = str(phasedict['pId'])+'::Afrac:'
2172	atomslist = []
2173	for i,at in enumerate(phasedict['Atoms']):
2174	if phasedict['General']['Type'] == 'macromolecular':
2175	label = '%s_%s_%s_%s'%(at[ct-1],at[ct-3],at[ct-4],at[ct-2])
2176	else:
2177	label = at[ct-1]
2178	fval = self.parmDict.get(fpfx+str(i),at[cfrac])
2179	fsig = self.sigDict.get(fpfx+str(i),-0.009)
2180	mult = at[cs+1]
2181	typ = at[ct]
2182	xyz = []
2183	for j,v in enumerate(('x','y','z')):
2184	val = at[cx+j]
2185	pfx = str(phasedict['pId'])+'::dA'+v+':'+str(i)
2186	sig = self.sigDict.get(pfx,-0.000009)
2187	xyz.append((val,sig))
2188	xyz.append((fval,fsig))
2189	td = []
2190	if at[cia] == 'I':
2191	pfx = str(phasedict['pId'])+'::AUiso:'+str(i)
2192	val = self.parmDict.get(pfx,at[cia+1])
2193	sig = self.sigDict.get(pfx,-0.0009)
2194	td.append((val,sig))
2195	else:
2196	for i,var in enumerate(('AU11','AU22','AU33','AU12','AU13','AU23')):
2197	pfx = str(phasedict['pId'])+'::'+var+':'+str(i)
2198	val = self.parmDict.get(pfx,at[cia+2+i])
2199	sig = self.sigDict.get(pfx,-0.0009)
2200	td.append((val,sig))
2201	atomslist.append((label,typ,mult,xyz,td))
2202	return atomslist
2203	######################################################################
2204
2205	def ReadCIF(URLorFile):
2206	'''Open a CIF, which may be specified as a file name or as a URL using PyCifRW
2207	(from James Hester).
2208	The open routine gets confused with DOS names that begin with a letter and colon
2209	"C:\dir\" so this routine will try to open the passed name as a file and if that
2210	fails, try it as a URL
2211
2212	:param str URLorFile: string containing a URL or a file name. Code will try first
2213	to open it as a file and then as a URL.
2214
2215	:returns: a PyCifRW CIF object.
2216	'''
2217	import CifFile as cif # PyCifRW from James Hester
2218
2219	# alternate approach:
2220	#import urllib
2221	#ciffile = 'file:'+urllib.pathname2url(filename)
2222
2223	try:
2224	fp = open(URLorFile,'r')
2225	cf = cif.ReadCif(fp)
2226	fp.close()
2227	return cf
2228	except IOError:
2229	return cif.ReadCif(URLorFile)
2230
2231	if __name__ == '__main__':
2232	app = wx.PySimpleApp()
2233	frm = wx.Frame(None) # create a frame
2234	frm.Show(True)
2235	filename = '/tmp/notzip.zip'
2236	filename = '/tmp/all.zip'
2237	#filename = '/tmp/11bmb_7652.zip'
2238
2239	#selection=None, confirmoverwrite=True, parent=None
2240	#print ExtractFileFromZip(filename, selection='11bmb_7652.fxye',parent=frm)
2241	print ExtractFileFromZip(filename,multipleselect=True)
2242	#confirmread=False, confirmoverwrite=False)
2243
2244	# choicelist=[ ('a','b','c'),
2245	# ('test1','test2'),('no choice',)]
2246	# titles = [ 'a, b or c', 'tests', 'No option here']
2247	# dlg = MultipleChoicesDialog(
2248	# choicelist,titles,
2249	# parent=frm)
2250	# if dlg.ShowModal() == wx.ID_OK:
2251	# print 'Got OK'

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