fitting.py @ c8537b5a

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 c8537b5a was c8537b5a, checked in by Jae Cho <jhjcho@…>, 13 years ago
small bug fix in cal_chi2 when panel.weight is None.
Property mode set to `100644`
File size: 67.8 KB

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2
3	################################################################################
4	#This software was developed by the University of Tennessee as part of the
5	#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
6	#project funded by the US National Science Foundation.
7	#
8	#See the license text in license.txt
9	#
10	#copyright 2009, University of Tennessee
11	################################################################################
12
13
14	import re
15	import sys
16	import wx
17	import logging
18	import numpy
19	import string
20	import time
21	from copy import deepcopy
22	import models
23	import fitpage
24
25
26	from sans.dataloader.loader import Loader
27	from sans.guiframe.dataFitting import Data2D
28	from sans.guiframe.dataFitting import Data1D
29	from sans.guiframe.dataFitting import check_data_validity
30	from sans.guiframe.events import NewPlotEvent
31	from sans.guiframe.events import StatusEvent
32	from sans.guiframe.events import EVT_SLICER_PANEL
33	from sans.guiframe.events import EVT_SLICER_PARS_UPDATE
34	from sans.guiframe.gui_style import GUIFRAME_ID
35	from sans.guiframe.plugin_base import PluginBase
36	from sans.fit.Fitting import Fit
37	from .console import ConsoleUpdate
38	from .fitproblem import FitProblemDictionary
39	from .fitpanel import FitPanel
40	from .fit_thread import FitThread
41	from .pagestate import Reader
42	from .fitpage import Chi2UpdateEvent
43
44	MAX_NBR_DATA = 4
45	SANS_F_TOL = 5e-05
46
47	(PageInfoEvent, EVT_PAGE_INFO) = wx.lib.newevent.NewEvent()
48
49	if sys.platform.count("darwin")==0:
50	ON_MAC = False
51	else:
52	ON_MAC = True
53
54	class Plugin(PluginBase):
55	"""
56	Fitting plugin is used to perform fit
57	"""
58	def __init__(self, standalone=False):
59	PluginBase.__init__(self, name="Fitting", standalone=standalone)
60
61	#list of panel to send to guiframe
62	self.mypanels = []
63	# reference to the current running thread
64	self.calc_2D = None
65	self.calc_1D = None
66
67	self.color_dict = {}
68
69	self.fit_thread_list = {}
70	self.residuals = None
71	self.weight = None
72	self.fit_panel = None
73	# Start with a good default
74	self.elapsed = 0.022
75	# the type of optimizer selected, park or scipy
76	self.fitter = None
77	self.fit_panel = None
78	#let fit ready
79	self.fitproblem_count = None
80	#Flag to let the plug-in know that it is running stand alone
81	self.standalone = True
82	## dictionary of page closed and id
83	self.closed_page_dict = {}
84	## Fit engine
85	self._fit_engine = 'scipy'
86	## Relative error desired in the sum of squares (float); scipy only
87	self.ftol = SANS_F_TOL
88	#List of selected data
89	self.selected_data_list = []
90	## list of slicer panel created to display slicer parameters and results
91	self.slicer_panels = []
92	# model 2D view
93	self.model2D_id = None
94	#keep reference of the simultaneous fit page
95	self.sim_page = None
96	self.index_model = 0
97	self.test_model_color = None
98	#Create a reader for fit page's state
99	self.state_reader = None
100	self._extensions = '.fitv'
101	self.scipy_id = wx.NewId()
102	self.park_id = wx.NewId()
103
104	self.temp_state = []
105	self.state_index = 0
106	self.sfile_ext = None
107	# take care of saving data, model and page associated with each other
108	self.page_finder = {}
109	# Log startup
110	logging.info("Fitting plug-in started")
111
112	def create_fit_problem(self, page_id):
113	"""
114	Given an ID create a fitproblem container
115	"""
116	self.page_finder[page_id] = FitProblemDictionary()
117
118	def delete_fit_problem(self, page_id):
119	"""
120	Given an ID create a fitproblem container
121	"""
122	if page_id in self.page_finder.iterkeys():
123	del self.page_finder[page_id]
124
125	def add_color(self, color, id):
126	"""
127	adds a color as a key with a plot id as its value to a dictionary
128	"""
129	self.color_dict[id] = color
130
131	def on_batch_selection(self, flag):
132	"""
133	switch the the notebook of batch mode or not
134	"""
135	self.batch_on = flag
136	if self.fit_panel is not None:
137	self.fit_panel.batch_on = self.batch_on
138
139	def populate_menu(self, owner):
140	"""
141	Create a menu for the Fitting plug-in
142
143	:param id: id to create a menu
144	:param owner: owner of menu
145
146	:return: list of information to populate the main menu
147
148	"""
149	#Menu for fitting
150	self.menu1 = wx.Menu()
151	id1 = wx.NewId()
152	simul_help = "Add new fit panel"
153	self.menu1.Append(id1, '&New Fit Page',simul_help)
154	wx.EVT_MENU(owner, id1, self.on_add_new_page)
155	self.menu1.AppendSeparator()
156	id1 = wx.NewId()
157	simul_help = "Simultaneous Fit"
158	self.menu1.Append(id1, '&Simultaneous Fit',simul_help)
159	wx.EVT_MENU(owner, id1, self.on_add_sim_page)
160	self.menu1.AppendSeparator()
161	#Set park engine
162
163	scipy_help= "Scipy Engine: Perform Simple fit. More in Help window...."
164	self.menu1.AppendCheckItem(self.scipy_id, "Simple FitEngine [LeastSq]",
165	scipy_help)
166	wx.EVT_MENU(owner, self.scipy_id, self._onset_engine_scipy)
167
168	park_help = "Park Engine: Perform Complex fit. More in Help window...."
169	self.menu1.AppendCheckItem(self.park_id, "Complex FitEngine [ParkMC]",
170	park_help)
171	wx.EVT_MENU(owner, self.park_id, self._onset_engine_park)
172
173	self.menu1.FindItemById(self.scipy_id).Check(True)
174	self.menu1.FindItemById(self.park_id).Check(False)
175	self.menu1.AppendSeparator()
176	self.id_tol = wx.NewId()
177	ftol_help = "Change the current FTolerance (=%s) " % str(self.ftol)
178	ftol_help += "of Simple FitEngine..."
179	self.menu1.Append(self.id_tol, "Change FTolerance [LeastSq Only]",
180	ftol_help)
181	wx.EVT_MENU(owner, self.id_tol, self.show_ftol_dialog)
182
183
184	#create menubar items
185	return [(self.menu1, self.sub_menu)]
186
187	def on_add_sim_page(self, event):
188	"""
189	Create a page to access simultaneous fit option
190	"""
191	if self.sim_page != None:
192	self.sim_page.Show(True)
193	self.sim_page.Refresh()
194	self.sim_page.SetFocus()
195	self.parent._mgr.Update()
196	msg= "Simultaneous Fit page already opened"
197	wx.PostEvent(self.parent, StatusEvent(status= msg))
198	return
199
200	self.sim_page= self.fit_panel.add_sim_page()
201
202	def help(self, evt):
203	"""
204	Show a general help dialog.
205	"""
206	from help_panel import HelpWindow
207	frame = HelpWindow(None, -1, 'HelpWindow')
208	frame.Show(True)
209
210	def get_context_menu(self, plotpanel=None):
211	"""
212	Get the context menu items available for P(r).them allow fitting option
213	for Data2D and Data1D only.
214
215	:param graph: the Graph object to which we attach the context menu
216
217	:return: a list of menu items with call-back function
218
219	:note: if Data1D was generated from Theory1D
220	the fitting option is not allowed
221
222	"""
223	graph = plotpanel.graph
224	fit_option = "Select data for fitting"
225	fit_hint = "Dialog with fitting parameters "
226
227	if graph.selected_plottable not in plotpanel.plots:
228	return []
229	item = plotpanel.plots[graph.selected_plottable]
230	if item.__class__.__name__ is "Data2D":
231	if hasattr(item,"is_data"):
232	if item.is_data:
233	return [[fit_option, fit_hint, self._onSelect]]
234	else:
235	return []
236	return [[fit_option, fit_hint, self._onSelect]]
237	else:
238
239	# if is_data is true , this in an actual data loaded
240	#else it is a data created from a theory model
241	if hasattr(item,"is_data"):
242	if item.is_data:
243	return [[fit_option, fit_hint,
244	self._onSelect]]
245	else:
246	return []
247	return []
248
249
250	def get_panels(self, parent):
251	"""
252	Create and return a list of panel objects
253	"""
254	self.parent = parent
255	#self.parent.Bind(EVT_FITSTATE_UPDATE, self.on_set_state_helper)
256	# Creation of the fit panel
257	self.fit_panel = FitPanel(parent=self.parent, manager=self)
258	self.on_add_new_page(event=None)
259	#Set the manager for the main panel
260	self.fit_panel.set_manager(self)
261	# List of windows used for the perspective
262	self.perspective = []
263	self.perspective.append(self.fit_panel.window_name)
264
265	#index number to create random model name
266	self.index_model = 0
267	self.index_theory= 0
268	self.parent.Bind(EVT_SLICER_PANEL, self._on_slicer_event)
269	self.parent.Bind(EVT_SLICER_PARS_UPDATE, self._onEVT_SLICER_PANEL)
270	self.parent._mgr.Bind(wx.aui.EVT_AUI_PANE_CLOSE,self._onclearslicer)
271	#Create reader when fitting panel are created
272	self.state_reader = Reader(self.set_state)
273	#append that reader to list of available reader
274	loader = Loader()
275	loader.associate_file_reader(".fitv", self.state_reader)
276	#loader.associate_file_reader(".svs", self.state_reader)
277	#from sans.perspectives.calculator.sld_panel import SldPanel
278	#Send the fitting panel to guiframe
279	self.mypanels.append(self.fit_panel)
280	#self.mypanels.append(SldPanel(parent=self.parent, base=self.parent))
281	return self.mypanels
282
283	def clear_panel(self):
284	"""
285	"""
286	self.fit_panel.clear_panel()
287
288	def set_default_perspective(self):
289	"""
290	Call back method that True to notify the parent that the current plug-in
291	can be set as default perspective.
292	when returning False, the plug-in is not candidate for an automatic
293	default perspective setting
294	"""
295	return True
296
297	def delete_data(self, data):
298	"""
299	delete the given data from panel
300	"""
301	self.fit_panel.delete_data(data)
302
303	def set_data(self, data_list=None):
304	"""
305	receive a list of data to fit
306	"""
307	if data_list is None:
308	data_list = []
309	selected_data_list = []
310	if self.batch_on:
311	page = self.add_fit_page(data=data_list)
312	else:
313	if len(data_list) > MAX_NBR_DATA:
314	from fitting_widgets import DataDialog
315	dlg = DataDialog(data_list=data_list, nb_data=MAX_NBR_DATA)
316	if dlg.ShowModal() == wx.ID_OK:
317	selected_data_list = dlg.get_data()
318	dlg.Destroy()
319
320	else:
321	selected_data_list = data_list
322	try:
323	for data in selected_data_list:
324	page = self.add_fit_page(data=[data])
325	except:
326	msg = "Fitting Set_data: " + str(sys.exc_value)
327	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
328
329	def set_top_panel(self):
330	"""
331	Close default (welcome) panel
332	"""
333	if 'default' in self.parent.panels:
334	self.parent.on_close_welcome_panel()
335
336
337	def set_theory(self, theory_list=None):
338	"""
339	"""
340	#set the model state for a given theory_state:
341	for item in theory_list:
342	try:
343	_, theory_state = item
344	self.fit_panel.set_model_state(theory_state)
345	except:
346	msg = "Fitting: cannot deal with the theory received"
347	logging.error("set_theory " + msg + "\n" + str(sys.exc_value))
348	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
349
350	def set_state(self, state=None, datainfo=None, format=None):
351	"""
352	Call-back method for the fit page state reader.
353	This method is called when a .fitv/.svs file is loaded.
354
355	: param state: PageState object
356	: param datainfo: data
357	"""
358	#state = self.state_reader.get_state()
359	if state != None:
360	state = state.clone()
361	# store fitting state in temp_state
362	self.temp_state.append(state)
363	else:
364	self.temp_state = []
365	# index to start with for a new set_state
366	self.state_index = 0
367	# state file format
368	self.sfile_ext = format
369
370	self.on_set_state_helper(event=None)
371
372	def on_set_state_helper(self,event=None):
373	"""
374	Set_state_helper. This actually sets state
375	after plotting data from state file.
376
377	: event: FitStateUpdateEvent called
378	by dataloader.plot_data from guiframe
379	"""
380	if len(self.temp_state) == 0:
381	if self.state_index==0 and len(self.mypanels) <= 0 \
382	and self.sfile_ext =='.svs':
383	self.fit_panel.add_default_pages()
384	self.temp_state = []
385	self.state_index = 0
386	return
387
388	try:
389	# Load fitting state
390	state = self.temp_state[self.state_index]
391	#panel state should have model selection to set_state
392	if state.formfactorcombobox != None:
393	#set state
394	data = self.parent.create_gui_data(state.data)
395	data.group_id = state.data.group_id
396	self.parent.add_data(data_list={data.id:data})
397	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
398	title=data.title))
399	#need to be fix later make sure we are sendind guiframe.data
400	#to panel
401	state.data = data
402	page = self.fit_panel.set_state(state)
403	else:
404	#just set data because set_state won't work
405	data = self.parent.create_gui_data(state.data)
406	data.group_id = state.data.group_id
407	self.parent.add_data(data_list={data.id:data})
408	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
409	title=data.title))
410	page = self.add_fit_page([data])
411	caption = page.window_caption
412	self.store_data(uid=page.uid, data_list=page.get_data_list(),
413	caption=caption)
414	self.mypanels.append(page)
415
416	# get ready for the next set_state
417	self.state_index += 1
418
419	#reset state variables to default when all set_state is finished.
420	if len(self.temp_state) == self.state_index:
421
422	self.temp_state = []
423	#self.state_index = 0
424	# Make sure the user sees the fitting panel after loading
425	#self.parent.set_perspective(self.perspective)
426	self.on_perspective(event=None)
427	except:
428	self.state_index==0
429	self.temp_state = []
430	raise
431
432	def save_fit_state(self, filepath, fitstate):
433	"""
434	save fit page state into file
435	"""
436	self.state_reader.write(filename=filepath, fitstate=fitstate)
437
438	def set_fit_weight(self, uid, flag, is2d=False, fid=None):
439	"""
440	Set the fit weights of a given page for all
441	its data by default. If fid is provide then set the range
442	only for the data with fid as id
443	:param uid: id corresponding to a fit page
444	:param fid: id corresponding to a fit problem (data, model)
445	:param weight: current dy data
446	"""
447	if uid in self.page_finder.keys():
448	self.page_finder[uid].set_weight(flag=flag, is2d=is2d)
449
450	def set_fit_range(self, uid, qmin, qmax, fid=None):
451	"""
452	Set the fitting range of a given page for all
453	its data by default. If fid is provide then set the range
454	only for the data with fid as id
455	:param uid: id corresponding to a fit page
456	:param fid: id corresponding to a fit problem (data, model)
457	:param qmin: minimum value of the fit range
458	:param qmax: maximum value of the fit range
459	"""
460	if uid in self.page_finder.keys():
461	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax)
462
463	def schedule_for_fit(self, value=0, uid=None):
464	"""
465	Set the fit problem field to 0 or 1 to schedule that problem to fit.
466	Schedule the specified fitproblem or get the fit problem related to
467	the current page and set value.
468	:param value: integer 0 or 1
469	:param uid: the id related to a page contaning fitting information
470	"""
471	if uid in self.page_finder.keys():
472	self.page_finder[uid].schedule_tofit(value)
473
474	def get_page_finder(self):
475	"""
476	return self.page_finder used also by simfitpage.py
477	"""
478	return self.page_finder
479
480	def set_page_finder(self,modelname,names,values):
481	"""
482	Used by simfitpage.py to reset a parameter given the string constrainst.
483
484	:param modelname: the name ot the model for with the parameter
485	has to reset
486	:param value: can be a string in this case.
487	:param names: the paramter name
488
489	:note: expecting park used for fit.
490
491	"""
492	sim_page_id = self.sim_page.uid
493	for uid, value in self.page_finder.iteritems():
494	if uid != sim_page_id:
495	list = value.get_model()
496	model = list[0]
497	if model.name == modelname:
498	value.set_model_param(names, values)
499	break
500
501	def split_string(self,item):
502	"""
503	receive a word containing dot and split it. used to split parameterset
504	name into model name and parameter name example: ::
505
506	paramaterset (item) = M1.A
507	Will return model_name = M1 , parameter name = A
508
509	"""
510	if string.find(item,".")!=-1:
511	param_names= re.split("\.",item)
512	model_name=param_names[0]
513	##Assume max len is 3; eg., M0.radius.width
514	if len(param_names) == 3:
515	param_name=param_names[1]+"."+param_names[2]
516	else:
517	param_name=param_names[1]
518	return model_name,param_name
519
520	def set_ftol(self, ftol=None):
521	"""
522	Set ftol: Relative error desired in the sum of chi squares.
523	"""
524	# check if it is flaot
525	try:
526	f_tol = float(ftol)
527	except:
528	# default
529	f_tol = SANS_F_TOL
530
531	self.ftol = f_tol
532	# update ftol menu help strings
533	ftol_help = "Change the current FTolerance (=%s) " % str(self.ftol)
534	ftol_help += "of Simple FitEngine..."
535	self.menu1.SetHelpString(self.id_tol, ftol_help)
536
537	def show_ftol_dialog(self, event=None):
538	"""
539	Dialog to select ftol for Scipy
540	"""
541	#if event != None:
542	# event.Skip()
543	from ftol_dialog import ChangeFtol
544	panel = ChangeFtol(self.parent, self)
545	panel.ShowModal()
546
547	def stop_fit(self, uid):
548	"""
549	Stop the fit engine
550	"""
551	if uid in self.fit_thread_list.keys():
552	calc_fit = self.fit_thread_list[uid]
553	if calc_fit is not None and calc_fit.isrunning():
554	calc_fit.stop()
555	msg = "Fit stop!"
556	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
557	del self.fit_thread_list[uid]
558	#set the fit button label of page when fit stop is trigger from
559	#simultaneous fit pane
560	if self.sim_page is not None and uid == self.sim_page.uid:
561	for uid, value in self.page_finder.iteritems():
562	if value.get_scheduled() == 1:
563	if uid in self.fit_panel.opened_pages.keys():
564	panel = self.fit_panel.opened_pages[uid]
565	panel. _on_fit_complete()
566
567	def set_smearer(self, uid, smearer, fid, qmin=None, qmax=None, draw=True,
568	enable_smearer=False):
569	"""
570	Get a smear object and store it to a fit problem of fid as id. If proper
571	flag is enable , will plot the theory with smearing information.
572
573	:param smearer: smear object to allow smearing data of id fid
574	:param enable_smearer: Define whether or not all (data, model) contained
575	in the structure of id uid will be smeared before fitting.
576	:param qmin: the maximum value of the theory plotting range
577	:param qmax: the maximum value of the theory plotting range
578	:param draw: Determine if the theory needs to be plot
579	"""
580	if uid not in self.page_finder.keys():
581	return
582	self.page_finder[uid].enable_smearing(flag=enable_smearer)
583	self.page_finder[uid].set_smearer(smearer, fid=fid)
584	if draw:
585	## draw model 1D with smeared data
586	data = self.page_finder[uid].get_fit_data(fid=fid)
587	if data is None:
588	msg = "set_mearer requires at least data.\n"
589	msg += "Got data = %s .\n" % str(data)
590	raise ValueError, msg
591	model = self.page_finder[uid].get_model(fid=fid)
592	if model is None:
593	return
594	enable1D = issubclass(data.__class__, Data1D)
595	enable2D = issubclass(data.__class__, Data2D)
596	## if user has already selected a model to plot
597	## redraw the model with data smeared
598	smear = self.page_finder[uid].get_smearer(fid=fid)
599	self.draw_model(model=model, data=data, page_id=uid, smearer=smear,
600	enable1D=enable1D, enable2D=enable2D,
601	qmin=qmin, qmax=qmax, weight=None)
602	self._mac_sleep(0.2)
603
604	def _mac_sleep(self, sec=0.2):
605	"""
606	Give sleep to MAC
607	"""
608	if ON_MAC:
609	time.sleep(sec)
610
611	def draw_model(self, model, page_id, data=None, smearer=None,
612	enable1D=True, enable2D=False,
613	state=None,
614	toggle_mode_on=False,
615	qmin=None, qmax=None,
616	update_chisqr=True, weight=None):
617	"""
618	Draw model.
619
620	:param model: the model to draw
621	:param name: the name of the model to draw
622	:param data: the data on which the model is based to be drawn
623	:param description: model's description
624	:param enable1D: if true enable drawing model 1D
625	:param enable2D: if true enable drawing model 2D
626	:param qmin: Range's minimum value to draw model
627	:param qmax: Range's maximum value to draw model
628	:param qstep: number of step to divide the x and y-axis
629	:param update_chisqr: update chisqr [bool]
630
631	"""
632	self.weight = weight
633	if issubclass(data.__class__, Data1D) or not enable2D:
634	## draw model 1D with no loaded data
635	self._draw_model1D(model=model,
636	data=data,
637	page_id=page_id,
638	enable1D=enable1D,
639	smearer=smearer,
640	qmin=qmin,
641	qmax=qmax,
642	toggle_mode_on=toggle_mode_on,
643	state=state,
644	update_chisqr=update_chisqr)
645	else:
646	## draw model 2D with no initial data
647	self._draw_model2D(model=model,
648	page_id=page_id,
649	data=data,
650	enable2D=enable2D,
651	smearer=smearer,
652	qmin=qmin,
653	qmax=qmax,
654	state=state,
655	toggle_mode_on=toggle_mode_on,
656	update_chisqr=update_chisqr)
657
658	def onFit(self, uid):
659	"""
660	Get series of data, model, associates parameters and range and send then
661	to series of fit engines. Fit data and model, display result to
662	corresponding panels.
663	:param uid: id related to the panel currently calling this fit function.
664	"""
665	## count the number of fitproblem schedule to fit
666	fitproblem_count = 0
667	for value in self.page_finder.values():
668	if value.get_scheduled() == 1:
669	fitproblem_count += 1
670	## if simultaneous fit change automatically the engine to park
671	if fitproblem_count > 1:
672	self._on_change_engine(engine='park')
673	self.fitproblem_count = fitproblem_count
674	if self._fit_engine == "park":
675	engineType = "Simultaneous Fit"
676	else:
677	engineType = "Single Fit"
678	fitter_list = []
679	sim_fitter = None
680	if self.sim_page is not None and self.sim_page.uid == uid:
681	#simulatanous fit only one engine need to be created
682	sim_fitter = Fit(self._fit_engine)
683	fitter_list.append(sim_fitter)
684
685	self.current_pg = None
686	list_page_id = []
687	fit_id = 0
688	batch_inputs = {}
689	batch_outputs = {}
690	for page_id, value in self.page_finder.iteritems():
691	# For simulfit (uid give with None), do for-loop
692	# if uid is specified (singlefit), do it only on the page.
693	if engineType == "Single Fit":
694	if page_id != uid:
695	continue
696	try:
697	if value.get_scheduled() == 1:
698	#Get list of parameters name to fit
699	pars = []
700	templist = []
701	page = self.fit_panel.get_page_by_id(page_id)
702	self.set_fit_weight(uid=page.uid,
703	flag=page.get_weight_flag(),
704	is2d = page._is_2D())
705	templist = page.get_param_list()
706	for element in templist:
707	name = str(element[1])
708	pars.append(name)
709	for fitproblem in value.get_fit_problem():
710	if sim_fitter is None:
711	fitter = Fit(self._fit_engine)
712	self._fit_helper(fitproblem=fitproblem,
713	pars=pars,
714	fitter=fitter,
715	fit_id=fit_id,
716	batch_inputs=batch_inputs,
717	batch_outputs=batch_outputs)
718	fitter_list.append(fitter)
719	else:
720	fitter = sim_fitter
721	self._fit_helper(fitproblem=fitproblem,
722	pars=pars,
723	fitter=fitter,
724	fit_id=fit_id,
725	batch_inputs=batch_inputs,
726	batch_outputs=batch_outputs)
727	fit_id += 1
728	list_page_id.append(page_id)
729	current_page_id = page_id
730	value.clear_model_param()
731	except:
732	raise
733	msg= "%s error: %s" % (engineType, sys.exc_value)
734	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error",
735	type="stop"))
736	return
737	## If a thread is already started, stop it
738	#if self.calc_fit!= None and self.calc_fit.isrunning():
739	# self.calc_fit.stop()
740	msg = "Fitting is in progress..."
741	wx.PostEvent( self.parent, StatusEvent(status=msg, type="progress" ))
742
743	#Handler used for park engine displayed message
744	handler = ConsoleUpdate(parent=self.parent,
745	manager=self,
746	improvement_delta=0.1)
747	self._mac_sleep(0.2)
748	## perform single fit
749	if fitproblem_count == 1:
750	calc_fit = FitThread(handler = handler,
751	fn=fitter_list,
752	pars=pars,
753	batch_inputs=batch_inputs,
754	batch_outputs=batch_outputs,
755	page_id=list_page_id,
756	completefn=self._single_fit_completed,
757	ftol=self.ftol)
758	else:
759	current_page_id = self.sim_page.uid
760	## Perform more than 1 fit at the time
761	calc_fit = FitThread(handler=handler,
762	fn=fitter_list,
763	batch_inputs=batch_inputs,
764	batch_outputs=batch_outputs,
765	page_id=list_page_id,
766	updatefn=handler.update_fit,
767	completefn=self._simul_fit_completed,
768	ftol=self.ftol)
769	self.fit_thread_list[current_page_id] = calc_fit
770	calc_fit.queue()
771	msg = "Fitting is in progress..."
772	wx.PostEvent( self.parent, StatusEvent(status=msg, type="progress" ))
773
774	self.ready_fit(calc_fit=calc_fit)
775
776	def ready_fit(self, calc_fit):
777	"""
778	Ready for another fit
779	"""
780	if self.fitproblem_count != None and self.fitproblem_count > 1:
781	calc_fit.ready(2.5)
782	else:
783	time.sleep(0.4)
784
785	def remove_plot(self, uid, fid=None, theory=False):
786	"""
787	remove model plot when a fit page is closed
788	:param uid: the id related to the fitpage to close
789	:param fid: the id of the fitproblem(data, model, range,etc)
790	"""
791	if uid not in self.page_finder.keys():
792	return
793	fitproblemList = self.page_finder[uid].get_fit_problem(fid)
794	for fitproblem in fitproblemList:
795	data = fitproblem.get_fit_data()
796	model = fitproblem.get_model()
797	plot_id = None
798	if model is not None:
799	plot_id = data.id + name
800	if theory:
801	plot_id = data.id
802	group_id = data.group_id
803	wx.PostEvent(self.parent, NewPlotEvent(id=plot_id,
804	group_id=group_id,
805	action='remove'))
806
807	def store_data(self, uid, data_list=None, caption=None):
808	"""
809	Recieve a list of data and store them ans well as a caption of
810	the fit page where they come from.
811	:param uid: if related to a fit page
812	:param data_list: list of data to fit
813	:param caption: caption of the window related to these data
814	"""
815	if data_list is None:
816	data_list = []
817
818	self.page_finder[uid].set_fit_data(data=data_list)
819	if caption is not None:
820	self.page_finder[uid].set_fit_tab_caption(caption=caption)
821
822	def on_add_new_page(self, event=None):
823	"""
824	ask fit panel to create a new empty page
825	"""
826	try:
827	page = self.fit_panel.add_empty_page()
828	page_caption = page.window_caption
829	# add data associated to the page created
830	if page != None:
831	wx.PostEvent(self.parent, StatusEvent(status="Page Created",
832	info="info"))
833	else:
834	msg = "Page was already Created"
835	wx.PostEvent(self.parent, StatusEvent(status=msg,
836	info="warning"))
837	self.set_top_panel()
838	except:
839	msg = "Creating Fit page: %s"%sys.exc_value
840	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
841
842	def add_fit_page(self, data):
843	"""
844	given a data, ask to the fitting panel to create a new fitting page,
845	get this page and store it into the page_finder of this plug-in
846	:param data: is a list of data
847	"""
848	page = self.fit_panel.set_data(data)
849	# page could be None when loading state files
850	if page == None:
851	return page
852	page_caption = page.window_caption
853	#append Data1D to the panel containing its theory
854	#if theory already plotted
855	if page.uid in self.page_finder:
856	data = page.get_data()
857	theory_data = self.page_finder[page.uid].get_theory_data(data.id)
858	if issubclass(data.__class__, Data2D):
859	data.group_id = wx.NewId()
860	if theory_data is not None:
861	group_id = str(page.uid) + " Model1D"
862	wx.PostEvent(self.parent,
863	NewPlotEvent(group_id=group_id,
864	action="delete"))
865	self.parent.update_data(prev_data=theory_data,
866	new_data=data)
867	else:
868	if theory_data is not None:
869	group_id = str(page.uid) + " Model2D"
870	data.group_id = theory_data.group_id
871	wx.PostEvent(self.parent,
872	NewPlotEvent(group_id=group_id,
873	action="delete"))
874	self.parent.update_data(prev_data=theory_data,
875	new_data=data)
876	self.store_data(uid=page.uid, data_list=page.get_data_list(),
877	caption=page.window_caption)
878	if self.sim_page is not None and not self.batch_on:
879	self.sim_page.draw_page()
880	return page
881
882	def _onEVT_SLICER_PANEL(self, event):
883	"""
884	receive and event telling to update a panel with a name starting with
885	event.panel_name. this method update slicer panel
886	for a given interactor.
887
888	:param event: contains type of slicer , paramaters for updating
889	the panel and panel_name to find the slicer 's panel concerned.
890	"""
891	for item in self.parent.panels:
892	name = event.panel_name
893	if self.parent.panels[item].window_caption.startswith(name):
894	self.parent.panels[item].set_slicer(event.type, event.params)
895
896	self.parent._mgr.Update()
897
898	def _closed_fitpage(self, event):
899	"""
900	request fitpanel to close a given page when its unique data is removed
901	from the plot. close fitpage only when the a loaded data is removed
902	"""
903	if event is None or event.data is None:
904	return
905	if hasattr(event.data,"is_data"):
906	if not event.data.is_data or \
907	event.data.__class__.__name__ == "Data1D":
908	self.fit_panel.close_page_with_data(event.data)
909
910	def _reset_schedule_problem(self, value=0, uid=None):
911	"""
912	unschedule or schedule all fitproblem to be fit
913	"""
914	# case that uid is not specified
915	if uid == None:
916	for page_id in self.page_finder.keys():
917	self.page_finder[page_id].schedule_tofit(value)
918	# when uid is given
919	else:
920	if uid in self.page_finder.keys():
921	self.page_finder[uid].schedule_tofit(value)
922
923	def _fit_helper(self, fitproblem, pars, fitter, fit_id,
924	batch_inputs, batch_outputs):
925	"""
926	Create and set fit engine with series of data and model
927	:param pars: list of fittable parameters
928	:param fitter_list: list of fit engine
929	:param value: structure storing data mapped to their model, range etc..
930	"""
931	data = fitproblem.get_fit_data()
932	model = fitproblem.get_model()
933	smearer = fitproblem.get_smearer()
934	qmin, qmax = fitproblem.get_range()
935	#Extra list of parameters and their constraints
936	listOfConstraint = []
937	param = fitproblem.get_model_param()
938	if len(param) > 0:
939	for item in param:
940	## check if constraint
941	if item[0] != None and item[1] != None:
942	listOfConstraint.append((item[0],item[1]))
943	for param in model.getParamList():
944	if param not in pars:
945	if param not in batch_inputs.keys():
946	batch_inputs[param] = []
947	if param not in model.non_fittable:
948	batch_inputs[param].append(model.getParam(param))
949	fitter.set_model(model, fit_id, pars, constraints=listOfConstraint)
950	fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
951	qmax=qmax)
952	fitter.select_problem_for_fit(id=fit_id, value=1)
953	#fill batch result information
954	if "Data" not in batch_outputs.keys():
955	batch_outputs["Data"] = []
956	batch_outputs["Data"].append(data.name)
957	for key, value in data.meta_data.iteritems():
958	if key not in batch_inputs.keys():
959	batch_inputs[key] = []
960	batch_inputs[key].append(value)
961	param = "temperature"
962	if hasattr(data.sample, param):
963	if param not in batch_inputs.keys():
964	batch_inputs[param] = []
965	batch_inputs[param].append(data.sample.temperature)
966
967	def _onSelect(self,event):
968	"""
969	when Select data to fit a new page is created .Its reference is
970	added to self.page_finder
971	"""
972	self.panel = event.GetEventObject()
973	Plugin.on_perspective(self, event=event)
974	for plottable in self.panel.graph.plottables:
975	if plottable.__class__.__name__ in ["Data1D", "Theory1D"]:
976	data_id = self.panel.graph.selected_plottable
977	if plottable == self.panel.plots[data_id]:
978	data = plottable
979	self.add_fit_page(data=[data])
980	return
981	else:
982	data = plottable
983	self.add_fit_page(data=[data])
984	self.set_top_panel()
985
986	def update_fit(self, result=None, msg=""):
987	"""
988	"""
989	print "update_fit result", result
990
991	def _batch_single_fit_complete_helper(self, result, pars, page_id,
992	batch_outputs, batch_inputs, elapsed=None):
993	"""
994	Display fit result in batch
995	:param result: list of objects received fromt fit engines
996	:param pars: list of fitted parameters names
997	:param page_id: list of page ids which called fit function
998	:param elapsed: time spent at the fitting level
999	"""
1000	self._update_fit_button(page_id)
1001	msg = "Single Fitting complete "
1002	wx.PostEvent(self.parent, StatusEvent(status=msg, info="info",
1003	type="stop"))
1004	if batch_outputs is None:
1005	batch_outputs = {}
1006	if self.batch_on:
1007	# format batch_outputs
1008	batch_outputs["Chi2"] = []
1009	for index in range(len(pars)):
1010	batch_outputs[pars[index]] = []
1011	batch_outputs["error on %s" % pars[index]] = []
1012	for res in result:
1013	if res is None:
1014	null_value = numpy.nan
1015	batch_outputs["Chi2"].append(null_value)
1016	for index in range(len(pars)):
1017	batch_outputs[pars[index]].append(null_value)
1018	item = null_value
1019	batch_outputs["error on %s" % pars[index]].append(item)
1020	else:
1021	batch_outputs["Chi2"].append(res.fitness)
1022	for index in range(len(pars)):
1023	batch_outputs[pars[index]].append(res.pvec[index])
1024	item = res.stderr[index]
1025	batch_outputs["error on %s" % pars[index]].append(item)
1026	pid = page_id[0]
1027	self.page_finder[pid].set_result(result=batch_outputs)
1028	self.parent.on_set_batch_result(data_outputs=batch_outputs,
1029	data_inputs=batch_inputs,
1030	plugin_name=self.sub_menu)
1031	for uid in page_id:
1032	cpage = self.fit_panel.get_page_by_id(uid)
1033	cpage._on_fit_complete()
1034
1035	def _single_fit_completed(self, result, pars, page_id, batch_outputs,
1036	batch_inputs=None, elapsed=None):
1037	"""
1038	Display fit result on one page of the notebook.
1039	:param result: list of object generated when fit ends
1040	:param pars: list of names of parameters fitted
1041	:param page_id: list of page ids which called fit function
1042	:param elapsed: time spent at the fitting level
1043	"""
1044	self._mac_sleep(0.2)
1045	if page_id[0] in self.fit_thread_list.keys():
1046	del self.fit_thread_list[page_id[0]]
1047	if self.batch_on:
1048	wx.CallAfter(self._batch_single_fit_complete_helper,
1049	result, pars, page_id, batch_outputs,
1050	batch_inputs, elapsed)
1051	return
1052	else:
1053	try:
1054	result = result[0]
1055	if result == None:
1056	self._update_fit_button(page_id)
1057	msg= "Single Fitting did not converge!!!"
1058	wx.PostEvent(self.parent,
1059	StatusEvent(status=msg,
1060	info="warning",
1061	type="stop"))
1062	return
1063	if not numpy.isfinite(result.fitness) or \
1064	numpy.any(result.pvec == None) or \
1065	not numpy.all(numpy.isfinite(result.pvec)):
1066	msg = "Single Fitting did not converge!!!"
1067	wx.PostEvent(self.parent,
1068	StatusEvent(status=msg,
1069	info="warning",
1070	type="stop"))
1071	self._update_fit_button(page_id)
1072	return
1073
1074	for uid in page_id:
1075	cpage = self.fit_panel.get_page_by_id(uid)
1076	# Make sure we got all results
1077	#(CallAfter is important to MAC)
1078	wx.CallAfter(cpage.onsetValues, result.fitness, pars,
1079	result.pvec, result.stderr)
1080	cpage._on_fit_complete()
1081	if result.stderr == None:
1082	msg = "Fit Abort: "
1083	else:
1084	msg = "Fitting: "
1085	msg += "Completed!!!"
1086	wx.PostEvent(self.parent, StatusEvent(status=msg))
1087	except ValueError:
1088	self._update_fit_button(page_id)
1089	msg = "Single Fitting did not converge!!!"
1090	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error",
1091	type="stop"))
1092	except:
1093	self._update_fit_button(page_id)
1094	msg = "Single Fit completed but Following"
1095	msg += " error occurred:%s" % sys.exc_value
1096	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error",
1097	type="stop"))
1098	raise
1099
1100	def _simul_fit_completed(self, result, page_id, batch_outputs,
1101	batch_inputs=None,
1102	pars=None,
1103	elapsed=None):
1104	"""
1105	Display result of the fit on related panel(s).
1106	:param result: list of object generated when fit ends
1107	:param pars: list of names of parameters fitted
1108	:param page_id: list of page ids which called fit function
1109	:param elapsed: time spent at the fitting level
1110	"""
1111	result = result[0]
1112	self.fit_thread_list = {}
1113	if page_id is None:
1114	page_id = []
1115	## fit more than 1 model at the same time
1116	self._mac_sleep(0.2)
1117	try:
1118	msg = ""
1119	if result == None:
1120	self._update_fit_button(page_id)
1121	msg= "Complex Fitting did not converge!!!"
1122	wx.PostEvent(self.parent, StatusEvent(status=msg,
1123	type="stop"))
1124	return
1125	if not numpy.isfinite(result.fitness) or \
1126	numpy.any(result.pvec == None) or not \
1127	numpy.all(numpy.isfinite(result.pvec)):
1128	self._update_fit_button(page_id)
1129	msg= "Simultaneous Fitting did not converge!!!"
1130	wx.PostEvent(self.parent, StatusEvent(status=msg,type="stop"))
1131	return
1132
1133	for uid in page_id:
1134	fpdict = self.page_finder[uid]
1135	for value in fpdict.itervalues():
1136	model = value.get_model()
1137	data = value.get_fit_data()
1138	small_param_name = []
1139	small_out = []
1140	small_cov = []
1141	#Separate result in to data corresponding to each page
1142	for p in result.parameters:
1143	model_name, param_name = self.split_string(p.name)
1144	if model.name == model_name:
1145	p_name= model.name+"."+param_name
1146	if p.name == p_name:
1147	if p.value != None and numpy.isfinite(p.value):
1148	small_out.append(p.value)
1149	small_param_name.append(param_name)
1150	small_cov.append(p.stderr)
1151	# Display result on each page
1152	cpage = self.fit_panel.get_page_by_id(uid)
1153	wx.CallAfter(cpage.onsetValues,
1154	result.fitness,
1155	small_param_name,
1156	small_out,small_cov)
1157	cpage._on_fit_complete()
1158	msg = "Fit completed!"
1159	wx.PostEvent(self.parent, StatusEvent(status=msg))
1160	except Exception:
1161	raise
1162	self._update_fit_button(page_id)
1163	msg = "Complex Fitting did not converge!!!"
1164	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error",
1165	type="stop"))
1166	return
1167	except:
1168	self._update_fit_button(page_id)
1169	msg = "Simultaneous Fit completed"
1170	msg += " but Following error occurred:%s" % sys.exc_value
1171	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
1172
1173	def _update_fit_button(self, page_id):
1174	"""
1175	Update Fit button when fit stopped
1176
1177	: parameter page_id: fitpage where the button is
1178	"""
1179	if page_id.__class__.__name__ != 'list':
1180	page_id = [page_id]
1181	for uid in page_id:
1182	page = self.fit_panel.get_page_by_id(uid)
1183	page._on_fit_complete()
1184
1185	def _on_show_panel(self, event):
1186	"""
1187	"""
1188	pass
1189
1190	def _onset_engine_park(self,event):
1191	"""
1192	set engine to park
1193	"""
1194	self._on_change_engine('park')
1195
1196	def _onset_engine_scipy(self,event):
1197	"""
1198	set engine to scipy
1199	"""
1200	self._on_change_engine('scipy')
1201
1202	def _on_slicer_event(self, event):
1203	"""
1204	Receive a panel as event and send it to guiframe
1205
1206	:param event: event containing a panel
1207
1208	"""
1209	if event.panel is not None:
1210	new_panel = event.panel
1211	self.slicer_panels.append(event.panel)
1212	# Set group ID if available
1213	event_id = self.parent.popup_panel(new_panel)
1214	new_panel.uid = event_id
1215	self.mypanels.append(new_panel)
1216
1217	def _onclearslicer(self, event):
1218	"""
1219	Clear the boxslicer when close the panel associate with this slicer
1220	"""
1221	name =event.GetPane().caption
1222
1223	for panel in self.slicer_panels:
1224	if panel.window_caption==name:
1225
1226	for item in self.parent.panels:
1227	if hasattr(self.parent.panels[item], "uid"):
1228	if self.parent.panels[item].uid ==panel.base.uid:
1229	self.parent.panels[item].onClearSlicer(event)
1230	self.parent._mgr.Update()
1231	break
1232	break
1233
1234	def _return_engine_type(self):
1235	"""
1236	return the current type of engine
1237	"""
1238	return self._fit_engine
1239
1240
1241	def _on_change_engine(self, engine='park'):
1242	"""
1243	Allow to select the type of engine to perform fit
1244
1245	:param engine: the key work of the engine
1246
1247	"""
1248	## saving fit engine name
1249	self._fit_engine = engine
1250	## change menu item state
1251	if engine == "park":
1252	self.menu1.FindItemById(self.park_id).Check(True)
1253	self.menu1.FindItemById(self.scipy_id).Check(False)
1254	else:
1255	self.menu1.FindItemById(self.park_id).Check(False)
1256	self.menu1.FindItemById(self.scipy_id).Check(True)
1257	## post a message to status bar
1258	msg = "Engine set to: %s" % self._fit_engine
1259	wx.PostEvent(self.parent,
1260	StatusEvent(status=msg))
1261	## send the current engine type to fitpanel
1262	self.fit_panel._on_engine_change(name=self._fit_engine)
1263
1264
1265	def _on_model_panel(self, evt):
1266	"""
1267	react to model selection on any combo box or model menu.plot the model
1268
1269	:param evt: wx.combobox event
1270
1271	"""
1272	model = evt.model
1273	uid = evt.uid
1274	qmin = evt.qmin
1275	qmax = evt.qmax
1276	smearer = evt.smearer
1277	caption = evt.caption
1278	enable_smearer = evt.enable_smearer
1279	if model == None:
1280	return
1281	if uid not in self.page_finder.keys():
1282	return
1283	# save the name containing the data name with the appropriate model
1284	self.page_finder[uid].set_model(model)
1285	self.page_finder[uid].enable_smearing(enable_smearer)
1286	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax)
1287	self.page_finder[uid].set_fit_tab_caption(caption=caption)
1288	if self.sim_page is not None and not self.batch_on:
1289	self.sim_page.draw_page()
1290
1291	def _update1D(self, x, output):
1292	"""
1293	Update the output of plotting model 1D
1294	"""
1295	msg = "Plot updating ... "
1296	wx.PostEvent(self.parent, StatusEvent(status=msg,type="update"))
1297
1298	def _complete1D(self, x, y, page_id, elapsed, index, model,
1299	toggle_mode_on=False, state=None,
1300	data=None, update_chisqr=True):
1301	"""
1302	Complete plotting 1D data
1303	"""
1304	try:
1305	new_plot = Data1D(x=x, y=y)
1306	new_plot.is_data = False
1307	new_plot.dy = numpy.zeros(len(y))
1308	new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
1309	_yaxis, _yunit = data.get_yaxis()
1310	_xaxis, _xunit = data.get_xaxis()
1311	new_plot.title = data.name
1312	new_plot.group_id = data.group_id
1313	new_plot.id = str(page_id) + "model"
1314	if new_plot.id in self.color_dict:
1315	new_plot.custom_color = self.color_dict[new_plot.id]
1316	#find if this theory was already plotted and replace that plot given
1317	#the same id
1318	theory_data = self.page_finder[page_id].get_theory_data(fid=data.id)
1319	new_plot.name = model.name + " ["+ str(model.__class__.__name__)+"]"
1320	new_plot.xaxis(_xaxis, _xunit)
1321	new_plot.yaxis(_yaxis, _yunit)
1322	self.page_finder[page_id].set_theory_data(data=new_plot,
1323	fid=data.id)
1324	self.parent.update_theory(data_id=data.id, theory=new_plot,
1325	state=state)
1326	current_pg = self.fit_panel.get_page_by_id(page_id)
1327	title = new_plot.title
1328	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
1329	title=str(title)))
1330	caption = current_pg.window_caption
1331	self.page_finder[page_id].set_fit_tab_caption(caption=caption)
1332	self.page_finder[page_id].set_theory_data(data=new_plot,
1333	fid=data.id)
1334	if toggle_mode_on:
1335	wx.PostEvent(self.parent,
1336	NewPlotEvent(group_id=str(page_id) + " Model2D",
1337	action="Hide"))
1338	else:
1339	if update_chisqr:
1340	wx.PostEvent(current_pg,
1341	Chi2UpdateEvent(output=self._cal_chisqr(
1342	data=data,
1343	page_id=page_id,
1344	index=index)))
1345	else:
1346	self._plot_residuals(page_id, data, index)
1347
1348	msg = "Computation completed!"
1349	wx.PostEvent( self.parent, StatusEvent(status=msg, type="stop" ))
1350	except:
1351	raise
1352	#msg = " Error occurred when drawing %s Model 1D: " % new_plot.name
1353	#msg += " %s" % sys.exc_value
1354	#wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
1355
1356	def _update2D(self, output,time=None):
1357	"""
1358	Update the output of plotting model
1359	"""
1360	wx.PostEvent(self.parent, StatusEvent(status="Plot \
1361	#updating ... ", type="update"))
1362	#self.ready_fit()
1363
1364	def _complete2D(self, image, data, model, page_id, elapsed, index, qmin,
1365	qmax, toggle_mode_on=False, state=None,
1366	update_chisqr=True):
1367	"""
1368	Complete get the result of modelthread and create model 2D
1369	that can be plot.
1370	"""
1371	new_plot= Data2D(image=image, err_image=data.err_data)
1372	new_plot.name = model.name
1373	new_plot.title = "Analytical model 2D "
1374	new_plot.id = str(page_id) + "model"
1375	new_plot.group_id = str(page_id) + " Model2D"
1376	new_plot.detector = data.detector
1377	new_plot.source = data.source
1378	new_plot.is_data = False
1379	new_plot.qx_data = data.qx_data
1380	new_plot.qy_data = data.qy_data
1381	new_plot.q_data = data.q_data
1382	new_plot.mask = data.mask
1383	## plot boundaries
1384	new_plot.ymin = data.ymin
1385	new_plot.ymax = data.ymax
1386	new_plot.xmin = data.xmin
1387	new_plot.xmax = data.xmax
1388	title = data.title
1389	if len(title) > 1:
1390	new_plot.title = "Model2D for " + data.name
1391	new_plot.is_data = False
1392	new_plot.name = model.name + " [" + \
1393	str(model.__class__.__name__) + "-2D]"
1394	theory_data = deepcopy(new_plot)
1395	theory_data.name = "Unknown"
1396
1397	self.page_finder[page_id].set_theory_data(data=theory_data, fid=data.id)
1398	self.parent.update_theory(data_id=data.id,
1399	theory=new_plot,
1400	state=state)
1401	current_pg = self.fit_panel.get_page_by_id(page_id)
1402	title = new_plot.title
1403	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
1404	title=title))
1405	self.page_finder[page_id].set_theory_data(data=new_plot, fid=data.id)
1406	if toggle_mode_on:
1407	wx.PostEvent(self.parent,
1408	NewPlotEvent(group_id=str(page_id) + " Model1D",
1409	action="Hide"))
1410	else:
1411	# Chisqr in fitpage
1412	if update_chisqr:
1413	wx.PostEvent(current_pg,
1414	Chi2UpdateEvent(output=self._cal_chisqr(data=data,
1415	page_id=page_id,
1416	index=index)))
1417	else:
1418	self._plot_residuals(page_id, data, index)
1419	msg = "Computation completed!"
1420	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
1421
1422	def _draw_model2D(self, model, page_id, qmin,
1423	qmax,
1424	data=None, smearer=None,
1425	description=None, enable2D=False,
1426	state=None,
1427	toggle_mode_on=False,
1428	update_chisqr=True):
1429	"""
1430	draw model in 2D
1431
1432	:param model: instance of the model to draw
1433	:param description: the description of the model
1434	:param enable2D: when True allows to draw model 2D
1435	:param qmin: the minimum value to draw model 2D
1436	:param qmax: the maximum value to draw model 2D
1437	:param qstep: the number of division of Qx and Qy of the model to draw
1438
1439	"""
1440	if not enable2D:
1441	return None
1442	try:
1443	from model_thread import Calc2D
1444	## If a thread is already started, stop it
1445	if (self.calc_2D is not None) and self.calc_2D.isrunning():
1446	self.calc_2D.stop()
1447	self.calc_2D = Calc2D(model=model,
1448	data=data,
1449	page_id=page_id,
1450	smearer=smearer,
1451	qmin=qmin,
1452	qmax=qmax,
1453	toggle_mode_on=toggle_mode_on,
1454	state=state,
1455	completefn=self._complete2D,
1456	update_chisqr=update_chisqr)
1457	self.calc_2D.queue()
1458
1459	except:
1460	raise
1461	#msg = " Error occurred when drawing %s Model 2D: " % model.name
1462	#msg += " %s" % sys.exc_value
1463	#wx.PostEvent(self.parent, StatusEvent(status=msg))
1464
1465	def _draw_model1D(self, model, page_id, data,
1466	qmin, qmax, smearer=None,
1467	state=None,
1468	toggle_mode_on=False, update_chisqr=True,
1469	enable1D=True):
1470	"""
1471	Draw model 1D from loaded data1D
1472
1473	:param data: loaded data
1474	:param model: the model to plot
1475
1476	"""
1477	if not enable1D:
1478	return
1479	try:
1480	from model_thread import Calc1D
1481	## If a thread is already started, stop it
1482	if (self.calc_1D is not None) and self.calc_1D.isrunning():
1483	self.calc_1D.stop()
1484	self.calc_1D = Calc1D(data=data,
1485	model=model,
1486	page_id=page_id,
1487	qmin=qmin,
1488	qmax=qmax,
1489	smearer=smearer,
1490	state=state,
1491	toggle_mode_on=toggle_mode_on,
1492	completefn=self._complete1D,
1493	#updatefn = self._update1D,
1494	update_chisqr=update_chisqr)
1495	self.calc_1D.queue()
1496	except:
1497	msg = " Error occurred when drawing %s Model 1D: " % model.name
1498	msg += " %s" % sys.exc_value
1499	wx.PostEvent(self.parent, StatusEvent(status=msg))
1500
1501
1502
1503	def _cal_chisqr(self, page_id, data, index=None):
1504	"""
1505	Get handy Chisqr using the output from draw1D and 2D,
1506	instead of calling expansive CalcChisqr in guithread
1507	"""
1508	data_copy = deepcopy(data)
1509
1510	# default chisqr
1511	chisqr = None
1512	#to compute chisq make sure data has valid data
1513	# return None if data == None
1514	if not check_data_validity(data_copy):
1515	return chisqr
1516
1517	# Get data: data I, theory I, and data dI in order
1518	if data_copy.__class__.__name__ == "Data2D":
1519	if index == None:
1520	index = numpy.ones(len(data_copy.data),ntype=bool)
1521	if self.weight != None:
1522	data_copy.err_data = self.weight
1523	# get rid of zero error points
1524	index = index & (data_copy.err_data != 0)
1525	index = index & (numpy.isfinite(data_copy.data))
1526	fn = data_copy.data[index]
1527	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
1528	gn = theory_data.data[index]
1529	en = data_copy.err_data[index]
1530	else:
1531	# 1 d theory from model_thread is only in the range of index
1532	if index == None:
1533	index = numpy.ones(len(data_copy.y), ntype=bool)
1534	if self.weight != None:
1535	data_copy.dy = self.weight
1536	if data_copy.dy == None or data_copy.dy == []:
1537	dy = numpy.ones(len(data_copy.y))
1538	else:
1539	## Set consitently w/AbstractFitengine:
1540	# But this should be corrected later.
1541	dy = deepcopy(data_copy.dy)
1542	dy[dy==0] = 1
1543	fn = data_copy.y[index]
1544	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
1545	gn = theory_data.y
1546	en = dy[index]
1547	# residual
1548	res = (fn - gn) / en
1549	residuals = res[numpy.isfinite(res)]
1550	# get chisqr only w/finite
1551	chisqr = numpy.average(residuals * residuals)
1552	self._plot_residuals(page_id, data_copy, index)
1553
1554	return chisqr
1555
1556	def _plot_residuals(self, page_id, data=None, index=None):
1557	"""
1558	Plot the residuals
1559
1560	:param data: data
1561	:param index: index array (bool)
1562	: Note: this is different from the residuals in cal_chisqr()
1563	"""
1564	data_copy = deepcopy(data)
1565	# Get data: data I, theory I, and data dI in order
1566	if data_copy.__class__.__name__ == "Data2D":
1567	# build residuals
1568	residuals = Data2D()
1569	#residuals.copy_from_datainfo(data)
1570	# Not for trunk the line below, instead use the line above
1571	data_copy.clone_without_data(len(data_copy.data), residuals)
1572	residuals.data = None
1573	fn = data_copy.data#[index]
1574	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
1575	gn = theory_data.data#[index]
1576	en = self.weight#data_copy.err_data#[index]
1577	residuals.data = (fn - gn) / en
1578	residuals.qx_data = data_copy.qx_data#[index]
1579	residuals.qy_data = data_copy.qy_data #[index]
1580	residuals.q_data = data_copy.q_data#[index]
1581	residuals.err_data = numpy.ones(len(residuals.data))#[index]
1582	residuals.xmin = min(residuals.qx_data)
1583	residuals.xmax = max(residuals.qx_data)
1584	residuals.ymin = min(residuals.qy_data)
1585	residuals.ymax = max(residuals.qy_data)
1586	residuals.q_data = data_copy.q_data#[index]
1587	residuals.mask = data_copy.mask
1588	residuals.scale = 'linear'
1589	# check the lengths
1590	if len(residuals.data) != len(residuals.q_data):
1591	return
1592	else:
1593	# 1 d theory from model_thread is only in the range of index
1594	if data_copy.dy == None or data_copy.dy == []:
1595	dy = numpy.ones(len(data_copy.y))
1596	else:
1597	## Set consitently w/AbstractFitengine:
1598	## But this should be corrected later.
1599	if self.weight == None:
1600	dy = data_copy.dy
1601	else:
1602	dy = self.weight#deepcopy(data_copy.dy)
1603	dy[dy==0] = 1
1604	fn = data_copy.y[index]
1605	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
1606	gn = theory_data.y
1607	en = dy[index]
1608	# build residuals
1609	residuals = Data1D()
1610	residuals.y = (fn - gn) / en
1611	residuals.x = data_copy.x[index]
1612	residuals.dy = numpy.ones(len(residuals.y))
1613	residuals.dx = None
1614	residuals.dxl = None
1615	residuals.dxw = None
1616	residuals.ytransform = 'y'
1617	# For latter scale changes
1618	residuals.xaxis('\\rm{Q} ', 'A^{-1}')
1619	residuals.yaxis('\\rm{Residuals} ', 'normalized')
1620	new_plot = residuals
1621	new_plot.name = "Residuals for " + str(data.name)
1622	## allow to highlight data when plotted
1623	new_plot.interactive = True
1624	## when 2 data have the same id override the 1 st plotted
1625	new_plot.id = "res" + str(data_copy.id)#name + " residuals"
1626	##group_id specify on which panel to plot this data
1627	new_plot.group_id = new_plot.id
1628	#new_plot.is_data = True
1629	##post data to plot
1630	title = new_plot.name
1631	# plot data
1632	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
1633	#reset weight
1634	self.weight = None
1635	#def profile(fn, args, *kw):
1636	# import cProfile, pstats, os
1637	# global call_result
1638	# def call():
1639	# global call_result
1640	# call_result = fn(args, *kw)
1641	# cProfile.runctx('call()', dict(call=call), {}, 'profile.out')
1642	# stats = pstats.Stats('profile.out')
1643	# #stats.sort_stats('time')
1644	# stats.sort_stats('calls')
1645	# stats.print_stats()
1646	# os.unlink('profile.out')
1647	# return call_result
1648	if __name__ == "__main__":
1649	i = Plugin()
1650
1651
1652
1653

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SasView

source: sasview/fittingview/src/sans/perspectives/fitting/fitting.py @ c8537b5a

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