inversion_state.py @ 868846b

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 868846b was a0e6b1b, checked in by lewis, 7 years ago
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1	"""
2	Handling of P(r) inversion states
3	"""
4	################################################################################
5	#This software was developed by the University of Tennessee as part of the
6	#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
7	#project funded by the US National Science Foundation.
8	#
9	#See the license text in license.txt
10	#
11	#copyright 2009, University of Tennessee
12	################################################################################
13
14
15	import time
16	import os
17	import sys
18	import logging
19	from lxml import etree
20	from sas.sasgui.guiframe.dataFitting import Data1D
21	from sas.sascalc.dataloader.readers.cansas_reader import Reader as CansasReader
22	from sas.sascalc.dataloader.readers.cansas_reader import get_content
23
24	logger = logging.getLogger(__name__)
25
26	PRNODE_NAME = 'pr_inversion'
27	CANSAS_NS = "cansas1d/1.0"
28
29	# Translation of names between stored and object data
30	## List of P(r) inversion inputs
31	in_list = [["nterms", "nfunc"],
32	["d_max", "d_max"],
33	["alpha", "alpha"],
34	["slit_width", "width"],
35	["slit_height", "height"],
36	["qmin", "qmin"],
37	["qmax", "qmax"],
38	["estimate_bck", "estimate_bck"],
39	["bck_value", "bck_value"]]
40
41	## List of P(r) inversion outputs
42	out_list = [["elapsed", "elapsed"],
43	["rg", "rg"],
44	["iq0", "iq0"],
45	["bck", "bck"],
46	["chi2", "chi2"],
47	["osc", "osc"],
48	["pos", "pos"],
49	["pos_err", "pos_err"],
50	["alpha_estimate", "alpha_estimate"],
51	["nterms_estimate", "nterms_estimate"]]
52
53	class InversionState(object):
54	"""
55	Class to hold the state information of the InversionControl panel.
56	"""
57	def __init__(self):
58	"""
59	Default values
60	"""
61	# Input
62	self.file = None
63	self.estimate_bck = False
64	self.timestamp = time.time()
65	self.bck_value = 0.0
66
67	# Inversion parameters
68	self.nfunc = None
69	self.d_max = None
70	self.alpha = None
71
72	# Slit parameters
73	self.height = None
74	self.width = None
75
76	# Q range
77	self.qmin = None
78	self.qmax = None
79
80	# Outputs
81	self.elapsed = None
82	self.rg = None
83	self.iq0 = None
84	self.bck = None
85	self.chi2 = None
86	self.osc = None
87	self.pos = None
88	self.pos_err = None
89
90	# Estimates
91	self.alpha_estimate = None
92	self.nterms_estimate = None
93
94	# Data
95	self.q = None
96	self.iq_obs = None
97	self.iq_calc = None
98
99	# Coefficients
100	self.coefficients = None
101	self.covariance = None
102
103	def __str__(self):
104	"""
105	Pretty print
106
107	:return: string representing the state
108
109	"""
110	state = "File: %s\n" % self.file
111	state += "Timestamp: %s\n" % self.timestamp
112	state += "Estimate bck: %s\n" % str(self.estimate_bck)
113	state += "Bck Value: %s\n" % str(self.bck_value)
114	state += "No. terms: %s\n" % str(self.nfunc)
115	state += "D_max: %s\n" % str(self.d_max)
116	state += "Alpha: %s\n" % str(self.alpha)
117
118	state += "Slit height: %s\n" % str(self.height)
119	state += "Slit width: %s\n" % str(self.width)
120
121	state += "Qmin: %s\n" % str(self.qmin)
122	state += "Qmax: %s\n" % str(self.qmax)
123
124	state += "\nEstimates:\n"
125	state += " Alpha: %s\n" % str(self.alpha_estimate)
126	state += " Nterms: %s\n" % str(self.nterms_estimate)
127
128	state += "\nOutputs:\n"
129	state += " Elapsed: %s\n" % str(self.elapsed)
130	state += " Rg: %s\n" % str(self.rg)
131	state += " I(q=0): %s\n" % str(self.iq0)
132	state += " Bck: %s\n" % str(self.bck)
133	state += " Chi^2: %s\n" % str(self.chi2)
134	state += " Oscillation:%s\n" % str(self.osc)
135	state += " Positive: %s\n" % str(self.pos)
136	state += " 1-sigma pos:%s\n" % str(self.pos_err)
137
138	return state
139
140	def toXML(self, file="pr_state.prv", doc=None, entry_node=None):
141	"""
142	Writes the state of the InversionControl panel to file, as XML.
143
144	Compatible with standalone writing, or appending to an
145	already existing XML document. In that case, the XML document
146	is required. An optional entry node in the XML document
147	may also be given.
148
149	:param file: file to write to
150	:param doc: XML document object [optional]
151	:param entry_node: XML node within the XML document at which
152	we will append the data [optional]
153
154	"""
155	#TODO: Get this to work
156	from xml.dom.minidom import getDOMImplementation
157
158	# Check whether we have to write a standalone XML file
159	if doc is None:
160	impl = getDOMImplementation()
161
162	doc_type = impl.createDocumentType(PRNODE_NAME, "1.0", "1.0")
163
164	newdoc = impl.createDocument(None, PRNODE_NAME, doc_type)
165	top_element = newdoc.documentElement
166	else:
167	# We are appending to an existing document
168	newdoc = doc
169	top_element = newdoc.createElement(PRNODE_NAME)
170	if entry_node is None:
171	newdoc.documentElement.appendChild(top_element)
172	else:
173	entry_node.appendChild(top_element)
174
175	attr = newdoc.createAttribute("version")
176	attr.nodeValue = '1.0'
177	top_element.setAttributeNode(attr)
178
179	# File name
180	element = newdoc.createElement("filename")
181	if self.file is not None:
182	element.appendChild(newdoc.createTextNode(str(self.file)))
183	else:
184	element.appendChild(newdoc.createTextNode(str(file)))
185	top_element.appendChild(element)
186
187	element = newdoc.createElement("timestamp")
188	element.appendChild(newdoc.createTextNode(time.ctime(self.timestamp)))
189	attr = newdoc.createAttribute("epoch")
190	attr.nodeValue = str(self.timestamp)
191	element.setAttributeNode(attr)
192	top_element.appendChild(element)
193
194	# Inputs
195	inputs = newdoc.createElement("inputs")
196	top_element.appendChild(inputs)
197
198	for item in in_list:
199	element = newdoc.createElement(item[0])
200	element.appendChild(newdoc.createTextNode(str(getattr(self, item[1]))))
201	inputs.appendChild(element)
202
203	# Outputs
204	outputs = newdoc.createElement("outputs")
205	top_element.appendChild(outputs)
206
207	for item in out_list:
208	element = newdoc.createElement(item[0])
209	element.appendChild(newdoc.createTextNode(str(getattr(self, item[1]))))
210	outputs.appendChild(element)
211
212	# Save output coefficients and its covariance matrix
213	element = newdoc.createElement("coefficients")
214	element.appendChild(newdoc.createTextNode(str(self.coefficients)))
215	outputs.appendChild(element)
216	element = newdoc.createElement("covariance")
217	element.appendChild(newdoc.createTextNode(str(self.covariance)))
218	outputs.appendChild(element)
219
220	# Save the file
221	if doc is None:
222	fd = open(file, 'w')
223	fd.write(newdoc.toprettyxml())
224	fd.close()
225	return None
226	else:
227	return newdoc
228
229	def fromXML(self, file=None, node=None):
230	"""
231	Load a P(r) inversion state from a file
232
233	:param file: .prv file
234	:param node: node of a XML document to read from
235
236	"""
237	if file is not None:
238	msg = "InversionState no longer supports non-CanSAS"
239	msg += " format for P(r) files"
240	raise RuntimeError, msg
241
242	if node.get('version') and node.get('version') == '1.0':
243
244	# Get file name
245	entry = get_content('ns:filename', node)
246	if entry is not None:
247	self.file = entry.text.strip()
248
249	# Get time stamp
250	entry = get_content('ns:timestamp', node)
251	if entry is not None and entry.get('epoch'):
252	try:
253	self.timestamp = float(entry.get('epoch'))
254	except:
255	msg = "InversionState.fromXML: Could not read "
256	msg += "timestamp\n %s" % sys.exc_value
257	logger.error(msg)
258
259	# Parse inversion inputs
260	entry = get_content('ns:inputs', node)
261	if entry is not None:
262	for item in in_list:
263	input_field = get_content('ns:%s' % item[0], entry)
264	if input_field is not None:
265	try:
266	setattr(self, item[1], float(input_field.text.strip()))
267	except:
268	setattr(self, item[1], None)
269	input_field = get_content('ns:estimate_bck', entry)
270	if input_field is not None:
271	try:
272	self.estimate_bck = input_field.text.strip() == 'True'
273	except:
274	self.estimate_bck = False
275
276	# Parse inversion outputs
277	entry = get_content('ns:outputs', node)
278	if entry is not None:
279	# Output parameters (scalars)
280	for item in out_list:
281	input_field = get_content('ns:%s' % item[0], entry)
282	if input_field is not None:
283	try:
284	setattr(self, item[1], float(input_field.text.strip()))
285	except:
286	setattr(self, item[1], None)
287
288	# Look for coefficients
289	# Format is [value, value, value, value]
290	coeff = get_content('ns:coefficients', entry)
291	if coeff is not None:
292	# Remove brackets
293	c_values = coeff.text.strip().replace('[', '')
294	c_values = c_values.replace(']', '')
295	toks = c_values.split()
296	self.coefficients = []
297	for c in toks:
298	try:
299	self.coefficients.append(float(c))
300	except:
301	# Bad data, skip. We will count the number of
302	# coefficients at the very end and deal with
303	# inconsistencies then.
304	pass
305	# Sanity check
306	if not len(self.coefficients) == self.nfunc:
307	# Inconsistent number of coefficients.
308	# Don't keep the data.
309	err_msg = "InversionState.fromXML: inconsistant "
310	err_msg += "number of coefficients: "
311	err_msg += "%d %d" % (len(self.coefficients),
312	self.nfunc)
313	logger.error(err_msg)
314	self.coefficients = None
315
316	# Look for covariance matrix
317	# Format is [ [value, value], [value, value] ]
318	coeff = get_content('ns:covariance', entry)
319	if coeff is not None:
320	# Parse rows
321	rows = coeff.text.strip().split('[')
322	self.covariance = []
323	for row in rows:
324	row = row.strip()
325	if len(row) == 0: continue
326	# Remove end bracket
327	row = row.replace(']', '')
328	c_values = row.split()
329	cov_row = []
330	for c in c_values:
331	try:
332	cov_row.append(float(c))
333	except:
334	# Bad data, skip. We will count the number of
335	# coefficients at the very end and deal with
336	# inconsistencies then.
337	pass
338	# Sanity check: check the number of entries in the row
339	if len(cov_row) == self.nfunc:
340	self.covariance.append(cov_row)
341	# Sanity check: check the number of rows in the covariance
342	# matrix
343	if not len(self.covariance) == self.nfunc:
344	# Inconsistent dimensions of the covariance matrix.
345	# Don't keep the data.
346	err_msg = "InversionState.fromXML: "
347	err_msg += "inconsistant dimensions of the "
348	err_msg += " covariance matrix: "
349	err_msg += "%d %d" % (len(self.covariance), self.nfunc)
350	logger.error(err_msg)
351	self.covariance = None
352
353	class Reader(CansasReader):
354	"""
355	Class to load a .prv P(r) inversion file
356	"""
357	## File type
358	type_name = "P(r)"
359
360	## Wildcards
361	type = ["P(r) files (.prv)\|.prv",
362	"SASView files (.svs)\|.svs"]
363	## List of allowed extensions
364	ext = ['.prv', '.PRV', '.svs', '.SVS']
365
366	def __init__(self, call_back, cansas=True):
367	"""
368	Initialize the call-back method to be called
369	after we load a file
370
371	:param call_back: call-back method
372	:param cansas: True = files will be written/read in CanSAS format
373	False = write CanSAS format
374
375	"""
376	## Call back method to be executed after a file is read
377	self.call_back = call_back
378	## CanSAS format flag
379	self.cansas = cansas
380	self.state = None
381
382	def read(self, path):
383	"""
384	Load a new P(r) inversion state from file
385
386	:param path: file path
387
388	:return: None
389
390	"""
391	if self.cansas == True:
392	return self._read_cansas(path)
393	else:
394	return self._read_standalone(path)
395
396	def _read_standalone(self, path):
397	"""
398	Load a new P(r) inversion state from file.
399	The P(r) node is assumed to be the top element.
400
401	:param path: file path
402
403	:return: None
404
405	"""
406	# Read the new state from file
407	state = InversionState()
408	state.fromXML(file=path)
409
410	# Call back to post the new state
411	self.state = state
412	#self.call_back(state)
413	return None
414
415	def _parse_prstate(self, entry):
416	"""
417	Read a p(r) inversion result from an XML node
418
419	:param entry: XML node to read from
420
421	:return: InversionState object
422
423	"""
424	state = None
425
426	# Locate the P(r) node
427	try:
428	nodes = entry.xpath('ns:%s' % PRNODE_NAME,
429	namespaces={'ns': CANSAS_NS})
430	if nodes != []:
431	# Create an empty state
432	state = InversionState()
433	state.fromXML(node=nodes[0])
434	except:
435	msg = "XML document does not contain P(r) "
436	msg += "information.\n %s" % sys.exc_value
437	logger.info(msg)
438
439	return state
440
441	def _read_cansas(self, path):
442	"""
443	Load data and P(r) information from a CanSAS XML file.
444
445	:param path: file path
446
447	:return: Data1D object if a single SASentry was found,
448	or a list of Data1D objects if multiple entries were found,
449	or None of nothing was found
450
451	:raise RuntimeError: when the file can't be opened
452	:raise ValueError: when the length of the data vectors are inconsistent
453
454	"""
455	output = []
456
457	if os.path.isfile(path):
458	basename = os.path.basename(path)
459	root, extension = os.path.splitext(basename)
460	#TODO: eventually remove the check for .xml once
461	# the P(r) writer/reader is truly complete.
462	if extension.lower() in self.ext or extension.lower() == '.xml':
463
464	tree = etree.parse(path, parser=etree.ETCompatXMLParser())
465	# Check the format version number
466	# Specifying the namespace will take care of the file
467	#format version
468	root = tree.getroot()
469
470	entry_list = root.xpath('/ns:SASroot/ns:SASentry',
471	namespaces={'ns': CANSAS_NS})
472
473	for entry in entry_list:
474	sas_entry, _ = self._parse_entry(entry)
475	prstate = self._parse_prstate(entry)
476	#prstate could be None when .svs file is loaded
477	#in this case, skip appending to output
478	if prstate is not None:
479	sas_entry.meta_data['prstate'] = prstate
480	sas_entry.filename = prstate.file
481	output.append(sas_entry)
482	else:
483	raise RuntimeError, "%s is not a file" % path
484
485	# Return output consistent with the loader's api
486	if len(output) == 0:
487	return None
488	elif len(output) == 1:
489	# Call back to post the new state
490	self.call_back(output[0].meta_data['prstate'], datainfo=output[0])
491	#self.state = output[0].meta_data['prstate']
492	return output[0]
493	else:
494	return output
495
496
497	def write(self, filename, datainfo=None, prstate=None):
498	"""
499	Write the content of a Data1D as a CanSAS XML file
500
501	:param filename: name of the file to write
502	:param datainfo: Data1D object
503	:param prstate: InversionState object
504
505	"""
506	# Sanity check
507	if self.cansas == True:
508	doc = self.write_toXML(datainfo, prstate)
509	# Write the XML document
510	fd = open(filename, 'w')
511	fd.write(doc.toprettyxml())
512	fd.close()
513	else:
514	prstate.toXML(file=filename)
515
516	def write_toXML(self, datainfo=None, state=None):
517	"""
518	Write toXML, a helper for write()
519
520	: return: xml doc
521	"""
522	if datainfo is None:
523	datainfo = Data1D(x=[], y=[])
524	elif not issubclass(datainfo.__class__, Data1D):
525	msg = "The cansas writer expects a Data1D "
526	msg += "instance: %s" % str(datainfo.__class__.__name__)
527	raise RuntimeError, msg
528
529	# Create basic XML document
530	doc, sasentry = self._to_xml_doc(datainfo)
531
532	# Add the invariant information to the XML document
533	if state is not None:
534	doc = state.toXML(doc=doc, entry_node=sasentry)
535
536	return doc

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source: sasview/src/sas/sasgui/perspectives/pr/inversion_state.py @ 868846b

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