AbstractFitEngine.py @ 3bb37ef

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 3bb37ef was 255306e, checked in by Gervaise Alina <gervyh@…>, 15 years ago
comment fitabort exception raise
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1	import logging, sys
2	import park,numpy,math, copy
3	from DataLoader.data_info import Data1D
4	from DataLoader.data_info import Data2D
5	class SansParameter(park.Parameter):
6	"""
7	SANS model parameters for use in the PARK fitting service.
8	The parameter attribute value is redirected to the underlying
9	parameter value in the SANS model.
10	"""
11	def __init__(self, name, model):
12	"""
13	@param name: the name of the model parameter
14	@param model: the sans model to wrap as a park model
15	"""
16	self._model, self._name = model,name
17	#set the value for the parameter of the given name
18	self.set(model.getParam(name))
19
20	def _getvalue(self):
21	"""
22	override the _getvalue of park parameter
23	@return value the parameter associates with self.name
24	"""
25	return self._model.getParam(self.name)
26
27	def _setvalue(self,value):
28	"""
29	override the _setvalue pf park parameter
30	@param value: the value to set on a given parameter
31	"""
32	self._model.setParam(self.name, value)
33
34	value = property(_getvalue,_setvalue)
35
36	def _getrange(self):
37	"""
38	Override _getrange of park parameter
39	return the range of parameter
40	"""
41	#if not self.name in self._model.getDispParamList():
42	lo,hi = self._model.details[self.name][1:3]
43	if lo is None: lo = -numpy.inf
44	if hi is None: hi = numpy.inf
45	#else:
46	#lo,hi = self._model.details[self.name][1:]
47	#if lo is None: lo = -numpy.inf
48	#if hi is None: hi = numpy.inf
49	if lo >= hi:
50	raise ValueError,"wrong fit range for parameters"
51
52	return lo,hi
53
54	def _setrange(self,r):
55	"""
56	override _setrange of park parameter
57	@param r: the value of the range to set
58	"""
59	self._model.details[self.name][1:3] = r
60	range = property(_getrange,_setrange)
61
62	class Model(park.Model):
63	"""
64	PARK wrapper for SANS models.
65	"""
66	def __init__(self, sans_model, **kw):
67	"""
68	@param sans_model: the sans model to wrap using park interface
69	"""
70	park.Model.__init__(self, **kw)
71	self.model = sans_model
72	self.name = sans_model.name
73	#list of parameters names
74	self.sansp = sans_model.getParamList()
75	#list of park parameter
76	self.parkp = [SansParameter(p,sans_model) for p in self.sansp]
77	#list of parameterset
78	self.parameterset = park.ParameterSet(sans_model.name,pars=self.parkp)
79	self.pars=[]
80
81
82	def getParams(self,fitparams):
83	"""
84	return a list of value of paramter to fit
85	@param fitparams: list of paramaters name to fit
86	"""
87	list=[]
88	self.pars=[]
89	self.pars=fitparams
90	for item in fitparams:
91	for element in self.parkp:
92	if element.name ==str(item):
93	list.append(element.value)
94	return list
95
96
97	def setParams(self,paramlist, params):
98	"""
99	Set value for parameters to fit
100	@param params: list of value for parameters to fit
101	"""
102	try:
103	for i in range(len(self.parkp)):
104	for j in range(len(paramlist)):
105	if self.parkp[i].name==paramlist[j]:
106	self.parkp[i].value = params[j]
107	self.model.setParam(self.parkp[i].name,params[j])
108	except:
109	raise
110
111	def eval(self,x):
112	"""
113	override eval method of park model.
114	@param x: the x value used to compute a function
115	"""
116	try:
117	return self.model.evalDistribution(x)
118	except:
119	raise
120
121
122	class FitData1D(Data1D):
123	"""
124	Wrapper class for SANS data
125	FitData1D inherits from DataLoader.data_info.Data1D. Implements
126	a way to get residuals from data.
127	"""
128	def __init__(self,x, y,dx= None, dy=None, smearer=None):
129	Data1D.__init__(self, x=numpy.array(x), y=numpy.array(y), dx=dx, dy=dy)
130	"""
131	@param smearer: is an object of class QSmearer or SlitSmearer
132	that will smear the theory data (slit smearing or resolution
133	smearing) when set.
134
135	The proper way to set the smearing object would be to
136	do the following:
137
138	from DataLoader.qsmearing import smear_selection
139	smearer = smear_selection(some_data)
140	fitdata1d = FitData1D( x= [1,3,..,],
141	y= [3,4,..,8],
142	dx=None,
143	dy=[1,2...], smearer= smearer)
144
145	Note that some_data _HAS_ to be of class DataLoader.data_info.Data1D
146
147	Setting it back to None will turn smearing off.
148
149	"""
150
151	self.smearer = smearer
152	if dy ==None or dy==[]:
153	self.dy= numpy.zeros(len(self.y))
154	else:
155	self.dy= numpy.asarray(dy)
156
157	# For fitting purposes, replace zero errors by 1
158	#TODO: check validity for the rare case where only
159	# a few points have zero errors
160	self.dy[self.dy==0]=1
161
162	## Min Q-value
163	#Skip the Q=0 point, especially when y(q=0)=None at x[0].
164	if min (self.x) ==0.0 and self.x[0]==0 and not numpy.isfinite(self.y[0]):
165	self.qmin = min(self.x[self.x!=0])
166	else:
167	self.qmin= min (self.x)
168	## Max Q-value
169	self.qmax = max (self.x)
170
171	# Range used for input to smearing
172	self._qmin_unsmeared = self.qmin
173	self._qmax_unsmeared = self.qmax
174	# Identify the bin range for the unsmeared and smeared spaces
175	self.idx = (self.x>=self.qmin) & (self.x <= self.qmax)
176	self.idx_unsmeared = (self.x>=self._qmin_unsmeared) & (self.x <= self._qmax_unsmeared)
177
178
179
180	def setFitRange(self,qmin=None,qmax=None):
181	""" to set the fit range"""
182	# Skip Q=0 point, (especially for y(q=0)=None at x[0]).
183	#ToDo: Fix this.
184	if qmin==0.0 and not numpy.isfinite(self.y[qmin]):
185	self.qmin = min(self.x[self.x!=0])
186	elif qmin!=None:
187	self.qmin = qmin
188
189	if qmax !=None:
190	self.qmax = qmax
191
192	# Determine the range needed in unsmeared-Q to cover
193	# the smeared Q range
194	self._qmin_unsmeared = self.qmin
195	self._qmax_unsmeared = self.qmax
196
197	self._first_unsmeared_bin = 0
198	self._last_unsmeared_bin = len(self.x)-1
199
200	if self.smearer!=None:
201	self._first_unsmeared_bin, self._last_unsmeared_bin = self.smearer.get_bin_range(self.qmin, self.qmax)
202	self._qmin_unsmeared = self.x[self._first_unsmeared_bin]
203	self._qmax_unsmeared = self.x[self._last_unsmeared_bin]
204
205	# Identify the bin range for the unsmeared and smeared spaces
206	self.idx = (self.x>=self.qmin) & (self.x <= self.qmax)
207	self.idx_unsmeared = (self.x>=self._qmin_unsmeared) & (self.x <= self._qmax_unsmeared)
208
209
210	def getFitRange(self):
211	"""
212	@return the range of data.x to fit
213	"""
214	return self.qmin, self.qmax
215
216	def residuals(self, fn):
217	"""
218	Compute residuals.
219
220	If self.smearer has been set, use if to smear
221	the data before computing chi squared.
222
223	@param fn: function that return model value
224	@return residuals
225	"""
226	# Compute theory data f(x)
227	fx= numpy.zeros(len(self.x))
228	fx[self.idx_unsmeared] = fn(self.x[self.idx_unsmeared])
229
230	## Smear theory data
231	if self.smearer is not None:
232	fx = self.smearer(fx, self._first_unsmeared_bin, self._last_unsmeared_bin)
233
234	## Sanity check
235	if numpy.size(self.dy)!= numpy.size(fx):
236	raise RuntimeError, "FitData1D: invalid error array %d <> %d" % (numpy.shape(self.dy),
237	numpy.size(fx))
238
239	return (self.y[self.idx]-fx[self.idx])/self.dy[self.idx]
240
241
242
243	def residuals_deriv(self, model, pars=[]):
244	"""
245	@return residuals derivatives .
246	@note: in this case just return empty array
247	"""
248	return []
249
250
251	class FitData2D(Data2D):
252	""" Wrapper class for SANS data """
253	def __init__(self,sans_data2d ,data=None, err_data=None):
254	Data2D.__init__(self, data= data, err_data= err_data)
255	"""
256	Data can be initital with a data (sans plottable)
257	or with vectors.
258	"""
259	self.x_bins_array = []
260	self.y_bins_array = []
261	self.res_err_image=[]
262	self.index_model=[]
263	self.qmin= None
264	self.qmax= None
265	self.set_data(sans_data2d )
266
267
268	def set_data(self, sans_data2d ):
269	"""
270	Determine the correct x_bin and y_bin to fit
271	"""
272	self.x_bins_array= numpy.reshape(sans_data2d.x_bins,
273	[1,len(sans_data2d.x_bins)])
274	self.y_bins_array = numpy.reshape(sans_data2d.y_bins,
275	[len(sans_data2d.y_bins),1])
276
277	x_max = max(sans_data2d.xmin, sans_data2d.xmax)
278	y_max = max(sans_data2d.ymin, sans_data2d.ymax)
279
280	## fitting range
281	self.qmin = 1e-16
282	self.qmax = math.sqrt(x_maxx_max +y_maxy_max)
283	## new error image for fitting purpose
284	if self.err_data== None or self.err_data ==[]:
285	self.res_err_data= numpy.zeros(len(self.y_bins),len(self.x_bins))
286	else:
287	self.res_err_data = copy.deepcopy(self.err_data)
288	self.res_err_data[self.res_err_data==0]=1
289
290	self.radius= numpy.sqrt(self.x_bins_array2 + self.y_bins_array2)
291	self.index_model = (self.qmin <= self.radius)&(self.radius<= self.qmax)
292
293
294	def setFitRange(self,qmin=None,qmax=None):
295	""" to set the fit range"""
296	if qmin==0.0:
297	self.qmin = 1e-16
298	elif qmin!=None:
299	self.qmin = qmin
300	if qmax!=None:
301	self.qmax= qmax
302
303
304	def getFitRange(self):
305	"""
306	@return the range of data.x to fit
307	"""
308	return self.qmin, self.qmax
309
310	def residuals(self, fn):
311
312	res=self.index_model*(self.data - fn([self.x_bins_array,
313	self.y_bins_array]))/self.res_err_data
314	return res.ravel()
315
316
317	def residuals_deriv(self, model, pars=[]):
318	"""
319	@return residuals derivatives .
320	@note: in this case just return empty array
321	"""
322	return []
323
324	class FitAbort(Exception):
325	"""
326	Exception raise to stop the fit
327	"""
328	print"Creating fit abort Exception"
329
330
331	class SansAssembly:
332	"""
333	Sans Assembly class a class wrapper to be call in optimizer.leastsq method
334	"""
335	def __init__(self,paramlist,Model=None , Data=None, curr_thread= None):
336	"""
337	@param Model: the model wrapper fro sans -model
338	@param Data: the data wrapper for sans data
339	"""
340	self.model = Model
341	self.data = Data
342	self.paramlist=paramlist
343	self.curr_thread= curr_thread
344	self.res=[]
345	self.func_name="Functor"
346	def chisq(self, params):
347	"""
348	Calculates chi^2
349	@param params: list of parameter values
350	@return: chi^2
351	"""
352	sum = 0
353	for item in self.res:
354	sum += item*item
355	if len(self.res)==0:
356	return None
357	return sum/ len(self.res)
358
359	def __call__(self,params):
360	"""
361	Compute residuals
362	@param params: value of parameters to fit
363	"""
364	#import thread
365	self.model.setParams(self.paramlist,params)
366	self.res= self.data.residuals(self.model.eval)
367	#if self.curr_thread != None :
368	# try:
369	# self.curr_thread.isquit()
370	# except:
371	# raise FitAbort,"stop leastsqr optimizer"
372	return self.res
373
374	class FitEngine:
375	def __init__(self):
376	"""
377	Base class for scipy and park fit engine
378	"""
379	#List of parameter names to fit
380	self.paramList=[]
381	#Dictionnary of fitArrange element (fit problems)
382	self.fitArrangeDict={}
383
384	def _concatenateData(self, listdata=[]):
385	"""
386	_concatenateData method concatenates each fields of all data contains ins listdata.
387	@param listdata: list of data
388	@return Data: Data is wrapper class for sans plottable. it is created with all parameters
389	of data concatenanted
390	@raise: if listdata is empty will return None
391	@raise: if data in listdata don't contain dy field ,will create an error
392	during fitting
393	"""
394	#TODO: we have to refactor the way we handle data.
395	# We should move away from plottables and move towards the Data1D objects
396	# defined in DataLoader. Data1D allows data manipulations, which should be
397	# used to concatenate.
398	# In the meantime we should switch off the concatenation.
399	#if len(listdata)>1:
400	# raise RuntimeError, "FitEngine._concatenateData: Multiple data files is not currently supported"
401	#return listdata[0]
402
403	if listdata==[]:
404	raise ValueError, " data list missing"
405	else:
406	xtemp=[]
407	ytemp=[]
408	dytemp=[]
409	self.mini=None
410	self.maxi=None
411
412	for item in listdata:
413	data=item.data
414	mini,maxi=data.getFitRange()
415	if self.mini==None and self.maxi==None:
416	self.mini=mini
417	self.maxi=maxi
418	else:
419	if mini < self.mini:
420	self.mini=mini
421	if self.maxi < maxi:
422	self.maxi=maxi
423
424
425	for i in range(len(data.x)):
426	xtemp.append(data.x[i])
427	ytemp.append(data.y[i])
428	if data.dy is not None and len(data.dy)==len(data.y):
429	dytemp.append(data.dy[i])
430	else:
431	raise RuntimeError, "Fit._concatenateData: y-errors missing"
432	data= Data(x=xtemp,y=ytemp,dy=dytemp)
433	data.setFitRange(self.mini, self.maxi)
434	return data
435
436
437	def set_model(self,model,Uid,pars=[], constraints=[]):
438	"""
439	set a model on a given uid in the fit engine.
440	@param model: sans.models type
441	@param Uid :is the key of the fitArrange dictionnary where model is saved as a value
442	@param pars: the list of parameters to fit
443	@param constraints: list of
444	tuple (name of parameter, value of parameters)
445	the value of parameter must be a string to constraint 2 different
446	parameters.
447	Example:
448	we want to fit 2 model M1 and M2 both have parameters A and B.
449	constraints can be:
450	constraints = [(M1.A, M2.B+2), (M1.B= M2.A *5),...,]
451	@note : pars must contains only name of existing model's paramaters
452	"""
453	if model == None:
454	raise ValueError, "AbstractFitEngine: Need to set model to fit"
455
456	new_model= model
457	if not issubclass(model.__class__, Model):
458	new_model= Model(model)
459
460	if len(constraints)>0:
461	for constraint in constraints:
462	name, value = constraint
463	try:
464	new_model.parameterset[ str(name)].set( str(value) )
465	except:
466	msg= "Fit Engine: Error occurs when setting the constraint"
467	msg += " %s for parameter %s "%(value, name)
468	raise ValueError, msg
469
470	if len(pars) >0:
471	temp=[]
472	for item in pars:
473	if item in new_model.model.getParamList():
474	temp.append(item)
475	self.paramList.append(item)
476	else:
477
478	msg = "wrong parameter %s used"%str(item)
479	msg += "to set model %s. Choose"%str(new_model.model.name)
480	msg += "parameter name within %s"%str(new_model.model.getParamList())
481	raise ValueError,msg
482
483	#A fitArrange is already created but contains dList only at Uid
484	if self.fitArrangeDict.has_key(Uid):
485	self.fitArrangeDict[Uid].set_model(new_model)
486	self.fitArrangeDict[Uid].pars= pars
487	else:
488	#no fitArrange object has been create with this Uid
489	fitproblem = FitArrange()
490	fitproblem.set_model(new_model)
491	fitproblem.pars= pars
492	self.fitArrangeDict[Uid] = fitproblem
493
494	else:
495	raise ValueError, "park_integration:missing parameters"
496
497	def set_data(self,data,Uid,smearer=None,qmin=None,qmax=None):
498	""" Receives plottable, creates a list of data to fit,set data
499	in a FitArrange object and adds that object in a dictionary
500	with key Uid.
501	@param data: data added
502	@param Uid: unique key corresponding to a fitArrange object with data
503	"""
504	if data.__class__.__name__=='Data2D':
505	fitdata=FitData2D(sans_data2d=data, data=data.data, err_data= data.err_data)
506	else:
507	fitdata=FitData1D(x=data.x, y=data.y , dx= data.dx,dy=data.dy,smearer=smearer)
508
509	fitdata.setFitRange(qmin=qmin,qmax=qmax)
510	#A fitArrange is already created but contains model only at Uid
511	if self.fitArrangeDict.has_key(Uid):
512	self.fitArrangeDict[Uid].add_data(fitdata)
513	else:
514	#no fitArrange object has been create with this Uid
515	fitproblem= FitArrange()
516	fitproblem.add_data(fitdata)
517	self.fitArrangeDict[Uid]=fitproblem
518
519	def get_model(self,Uid):
520	"""
521	@param Uid: Uid is key in the dictionary containing the model to return
522	@return a model at this uid or None if no FitArrange element was created
523	with this Uid
524	"""
525	if self.fitArrangeDict.has_key(Uid):
526	return self.fitArrangeDict[Uid].get_model()
527	else:
528	return None
529
530	def remove_Fit_Problem(self,Uid):
531	"""remove fitarrange in Uid"""
532	if self.fitArrangeDict.has_key(Uid):
533	del self.fitArrangeDict[Uid]
534
535	def select_problem_for_fit(self,Uid,value):
536	"""
537	select a couple of model and data at the Uid position in dictionary
538	and set in self.selected value to value
539	@param value: the value to allow fitting. can only have the value one or zero
540	"""
541	if self.fitArrangeDict.has_key(Uid):
542	self.fitArrangeDict[Uid].set_to_fit( value)
543
544
545	def get_problem_to_fit(self,Uid):
546	"""
547	return the self.selected value of the fit problem of Uid
548	@param Uid: the Uid of the problem
549	"""
550	if self.fitArrangeDict.has_key(Uid):
551	self.fitArrangeDict[Uid].get_to_fit()
552
553	class FitArrange:
554	def __init__(self):
555	"""
556	Class FitArrange contains a set of data for a given model
557	to perform the Fit.FitArrange must contain exactly one model
558	and at least one data for the fit to be performed.
559	model: the model selected by the user
560	Ldata: a list of data what the user wants to fit
561
562	"""
563	self.model = None
564	self.dList =[]
565	self.pars=[]
566	#self.selected is zero when this fit problem is not schedule to fit
567	#self.selected is 1 when schedule to fit
568	self.selected = 0
569
570	def set_model(self,model):
571	"""
572	set_model save a copy of the model
573	@param model: the model being set
574	"""
575	self.model = model
576
577	def add_data(self,data):
578	"""
579	add_data fill a self.dList with data to fit
580	@param data: Data to add in the list
581	"""
582	if not data in self.dList:
583	self.dList.append(data)
584
585	def get_model(self):
586	""" @return: saved model """
587	return self.model
588
589	def get_data(self):
590	""" @return: list of data dList"""
591	#return self.dList
592	return self.dList[0]
593
594	def remove_data(self,data):
595	"""
596	Remove one element from the list
597	@param data: Data to remove from dList
598	"""
599	if data in self.dList:
600	self.dList.remove(data)
601	def set_to_fit (self, value=0):
602	"""
603	set self.selected to 0 or 1 for other values raise an exception
604	@param value: integer between 0 or 1
605	"""
606	self.selected= value
607
608	def get_to_fit(self):
609	"""
610	@return self.selected value
611	"""
612	return self.selected

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source: sasview/park_integration/AbstractFitEngine.py @ 3bb37ef

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