fitting.py @ 7619f50

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 7619f50 was 7619f50, checked in by Jae Cho <jhjcho@…>, 12 years ago
fixed batch fitplot problem especially when limited custom q range is selected
Property mode set to `100644`
File size: 89.9 KB

Line
1	"""
2	Fitting perspective
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	import re
14	import sys
15	import os
16	import wx
17	import logging
18	import numpy
19	import time
20	from copy import deepcopy
21	import models
22
23	from sans.dataloader.loader import Loader
24	from sans.guiframe.dataFitting import Data2D
25	from sans.guiframe.dataFitting import Data1D
26	from sans.guiframe.dataFitting import check_data_validity
27	from sans.guiframe.events import NewPlotEvent
28	from sans.guiframe.events import StatusEvent
29	from sans.guiframe.events import EVT_SLICER_PANEL
30	from sans.guiframe.events import EVT_SLICER_PARS_UPDATE
31	from sans.guiframe.gui_style import GUIFRAME_ID
32	from sans.guiframe.plugin_base import PluginBase
33	from sans.guiframe.data_processor import BatchCell
34	from sans.fit.Fitting import Fit
35	from .console import ConsoleUpdate
36	from .fitproblem import FitProblemDictionary
37	from .fitpanel import FitPanel
38	from .fit_thread import FitThread
39	from .pagestate import Reader
40	from .fitpage import Chi2UpdateEvent
41	from sans.perspectives.calculator.model_editor import TextDialog
42	from sans.perspectives.calculator.model_editor import EditorWindow
43
44	MAX_NBR_DATA = 4
45	SANS_F_TOL = 5e-05
46
47	(PageInfoEvent, EVT_PAGE_INFO) = wx.lib.newevent.NewEvent()
48
49
50	if sys.platform == "win32":
51	ON_MAC = False
52	else:
53	ON_MAC = True
54
55
56	class Plugin(PluginBase):
57	"""
58	Fitting plugin is used to perform fit
59	"""
60	def __init__(self, standalone=False):
61	PluginBase.__init__(self, name="Fitting", standalone=standalone)
62
63	#list of panel to send to guiframe
64	self.mypanels = []
65	# reference to the current running thread
66	self.calc_2D = None
67	self.calc_1D = None
68
69	self.color_dict = {}
70
71	self.fit_thread_list = {}
72	self.residuals = None
73	self.weight = None
74	self.fit_panel = None
75	self.plot_panel = None
76	# Start with a good default
77	self.elapsed = 0.022
78	# the type of optimizer selected, park or scipy
79	self.fitter = None
80	self.fit_panel = None
81	#let fit ready
82	self.fitproblem_count = None
83	#Flag to let the plug-in know that it is running stand alone
84	self.standalone = True
85	## dictionary of page closed and id
86	self.closed_page_dict = {}
87	## Fit engine
88	self._fit_engine = 'scipy'
89	self._gui_engine = None
90	## Relative error desired in the sum of squares (float); scipy only
91	self.ftol = SANS_F_TOL
92	self.batch_reset_flag = True
93	#List of selected data
94	self.selected_data_list = []
95	## list of slicer panel created to display slicer parameters and results
96	self.slicer_panels = []
97	# model 2D view
98	self.model2D_id = None
99	#keep reference of the simultaneous fit page
100	self.sim_page = None
101	self.sim_menu = None
102	self.batch_page = None
103	self.batch_menu = None
104	self.index_model = 0
105	self.test_model_color = None
106	#Create a reader for fit page's state
107	self.state_reader = None
108	self._extensions = '.fitv'
109	self.scipy_id = wx.NewId()
110	self.park_id = wx.NewId()
111	self.menu1 = None
112	self.new_model_frame = None
113
114	self.temp_state = []
115	self.state_index = 0
116	self.sfile_ext = None
117	# take care of saving data, model and page associated with each other
118	self.page_finder = {}
119	# Log startup
120	logging.info("Fitting plug-in started")
121	self.batch_capable = self.get_batch_capable()
122
123	def get_batch_capable(self):
124	"""
125	Check if the plugin has a batch capability
126	"""
127	return True
128
129	def create_fit_problem(self, page_id):
130	"""
131	Given an ID create a fitproblem container
132	"""
133	self.page_finder[page_id] = FitProblemDictionary()
134
135	def delete_fit_problem(self, page_id):
136	"""
137	Given an ID create a fitproblem container
138	"""
139	if page_id in self.page_finder.iterkeys():
140	del self.page_finder[page_id]
141
142	def add_color(self, color, id):
143	"""
144	adds a color as a key with a plot id as its value to a dictionary
145	"""
146	self.color_dict[id] = color
147
148	def on_batch_selection(self, flag):
149	"""
150	switch the the notebook of batch mode or not
151	"""
152	self.batch_on = flag
153	if self.fit_panel is not None:
154	self.fit_panel.batch_on = self.batch_on
155
156	def populate_menu(self, owner):
157	"""
158	Create a menu for the Fitting plug-in
159
160	:param id: id to create a menu
161	:param owner: owner of menu
162
163	:return: list of information to populate the main menu
164
165	"""
166	#Menu for fitting
167	self.menu1 = wx.Menu()
168	id1 = wx.NewId()
169	simul_help = "Add new fit panel"
170	self.menu1.Append(id1, '&New Fit Page', simul_help)
171	wx.EVT_MENU(owner, id1, self.on_add_new_page)
172	self.menu1.AppendSeparator()
173	self.id_simfit = wx.NewId()
174	simul_help = "Simultaneous Fit"
175	self.menu1.Append(self.id_simfit, '&Simultaneous Fit', simul_help)
176	wx.EVT_MENU(owner, self.id_simfit, self.on_add_sim_page)
177	self.sim_menu = self.menu1.FindItemById(self.id_simfit)
178	self.sim_menu.Enable(False)
179	#combined Batch
180	self.id_batchfit = wx.NewId()
181	batch_help = "Combined Batch"
182	self.menu1.Append(self.id_batchfit, '&Combine Batch Fit', batch_help)
183	wx.EVT_MENU(owner, self.id_batchfit, self.on_add_sim_page)
184	self.batch_menu = self.menu1.FindItemById(self.id_batchfit)
185	self.batch_menu.Enable(False)
186	self.menu1.AppendSeparator()
187	#Set park engine
188	scipy_help = "Scipy Engine: Perform Simple fit. More in Help window...."
189	self.menu1.AppendCheckItem(self.scipy_id, "Simple FitEngine [LeastSq]",
190	scipy_help)
191	wx.EVT_MENU(owner, self.scipy_id, self._onset_engine_scipy)
192
193	park_help = "Park Engine: Perform Complex fit. More in Help window...."
194	self.menu1.AppendCheckItem(self.park_id, "Complex FitEngine [ParkMC]",
195	park_help)
196	wx.EVT_MENU(owner, self.park_id, self._onset_engine_park)
197
198	self.menu1.FindItemById(self.scipy_id).Check(True)
199	self.menu1.FindItemById(self.park_id).Check(False)
200	self.menu1.AppendSeparator()
201	self.id_tol = wx.NewId()
202	ftol_help = "Change the current FTolerance (=%s) " % str(self.ftol)
203	ftol_help += "of Simple FitEngine..."
204	self.menu1.Append(self.id_tol, "Change FTolerance",
205	ftol_help)
206	wx.EVT_MENU(owner, self.id_tol, self.show_ftol_dialog)
207	self.menu1.AppendSeparator()
208
209	self.id_reset_flag = wx.NewId()
210	resetf_help = "BatchFit: If checked, the initial param values will be "
211	resetf_help += "propagated from the previous results. "
212	resetf_help += "Otherwise, the same initial param values will be used "
213	resetf_help += "for all fittings."
214	self.menu1.AppendCheckItem(self.id_reset_flag,
215	"Chain Fitting [BatchFit Only]",
216	resetf_help)
217	wx.EVT_MENU(owner, self.id_reset_flag, self.on_reset_batch_flag)
218	chain_menu = self.menu1.FindItemById(self.id_reset_flag)
219	chain_menu.Check(not self.batch_reset_flag)
220	chain_menu.Enable(self.batch_on)
221
222	self.menu1.AppendSeparator()
223	self.edit_model_menu = wx.Menu()
224	# Find and put files name in menu
225	try:
226	self.set_edit_menu(owner=owner)
227	except:
228	raise
229
230	self.id_edit = wx.NewId()
231	editmodel_help = "Edit customized model sample file"
232	self.menu1.AppendMenu(self.id_edit, "Edit Custom Model",
233	self.edit_model_menu, editmodel_help)
234	#create menubar items
235	return [(self.menu1, self.sub_menu)]
236
237	def edit_custom_model(self, event):
238	"""
239	Get the python editor panel
240	"""
241	id = event.GetId()
242	label = self.edit_menu.GetLabel(id)
243	from sans.perspectives.calculator.pyconsole import PyConsole
244	filename = os.path.join(models.find_plugins_dir(), label)
245	frame = PyConsole(parent=self.parent, manager=self,
246	panel=self.fit_panel,
247	title='Advanced Custom Model Editor',
248	filename=filename)
249	self.put_icon(frame)
250	frame.Show(True)
251
252	def delete_custom_model(self, event):
253	"""
254	Delete custom model file
255	"""
256	id = event.GetId()
257	label = self.delete_menu.GetLabel(id)
258	toks = os.path.splitext(label)
259	path = os.path.join(models.find_plugins_dir(), toks[0])
260	try:
261	for ext in ['.py', '.pyc']:
262	p_path = path + ext
263	os.remove(p_path)
264	self.update_custom_combo()
265	if os.path.isfile(p_path):
266	msg = "Sorry! Could not be able to delete the default "
267	msg += "custom model... \n"
268	msg += "Please manually remove the files (.py, .pyc) "
269	msg += "in the 'plugin_models' folder \n"
270	msg += "inside of the SansView application, "
271	msg += "and try it again."
272	wx.MessageBox(msg, 'Info')
273	#wx.PostEvent(self.parent, StatusEvent(status=msg, type='stop',
274	# info='warning'))
275	else:
276	self.delete_menu.Delete(id)
277	for item in self.edit_menu.GetMenuItems():
278	if item.GetLabel() == label:
279	self.edit_menu.DeleteItem(item)
280	msg = "The custom model, %s, has been deleted."% label
281	wx.PostEvent(self.parent, StatusEvent(status=msg,
282	type='stop', info='info'))
283	break
284	except:
285	msg ='Delete Error: \nCould not delete the file; Check if in use.'
286	wx.MessageBox(msg, 'Error')
287
288	def make_sum_model(self, event):
289	"""
290	Edit summodel template and make one
291	"""
292	id = event.GetId()
293	model_manager = models.ModelManager()
294	model_list = model_manager.get_model_name_list()
295	plug_dir = models.find_plugins_dir()
296	textdial = TextDialog(None, self, -1, 'Easy Sum/Multi(p1, p2) Editor',
297	model_list, plug_dir)
298	self.put_icon(textdial)
299	textdial.ShowModal()
300	textdial.Destroy()
301
302	def make_new_model(self, event):
303	"""
304	Make new model
305	"""
306	if self.new_model_frame != None and self.new_model_frame.IsShown():
307	self.new_model_frame.Show(False)
308	else:
309	id = event.GetId()
310	dir_path = models.find_plugins_dir()
311	title = "New Custom Model Function"
312	self.new_model_frame = EditorWindow(parent=self, base=self,
313	path=dir_path, title=title)
314	self.put_icon(self.new_model_frame)
315	self.new_model_frame.Show(True)
316
317	def update_custom_combo(self):
318	"""
319	Update custom model list in the fitpage combo box
320	"""
321	try:
322	# Update edit menus
323	self.set_edit_menu_helper(self.parent, self.edit_custom_model)
324	self.set_edit_menu_helper(self.parent, self.delete_custom_model)
325	temp = self.fit_panel.reset_pmodel_list()
326	if temp:
327	# Set the new custom model list for all fit pages
328	for uid, page in self.fit_panel.opened_pages.iteritems():
329	if hasattr(page, "formfactorbox"):
330	page.model_list_box = temp
331	current_val = page.formfactorbox.GetLabel()
332	if page.plugin_rbutton.GetValue():
333	#pos = page.formfactorbox.GetSelection()
334	page._show_combox_helper()
335	new_val = page.formfactorbox.GetLabel()
336	if current_val != new_val and new_val != '':
337	page.formfactorbox.SetLabel(new_val)
338	else:
339	page.formfactorbox.SetLabel(current_val)
340	except:
341	pass
342
343
344	def set_edit_menu(self, owner):
345	"""
346	Set list of the edit model menu labels
347	"""
348	id = wx.NewId()
349	#new_model_menu = wx.Menu()
350	self.edit_model_menu.Append(id, 'New',
351	'Add a new model function')
352	wx.EVT_MENU(owner, id, self.make_new_model)
353	id = wx.NewId()
354	self.edit_model_menu.Append(id, 'Sum\|Multi(p1, p2)',
355	'Sum of two model functions')
356	wx.EVT_MENU(owner, id, self.make_sum_model)
357	e_id = wx.NewId()
358	self.edit_menu = wx.Menu()
359	self.edit_model_menu.AppendMenu(e_id,
360	'Advanced', self.edit_menu)
361	self.set_edit_menu_helper(owner, self.edit_custom_model)
362
363	d_id = wx.NewId()
364	self.delete_menu = wx.Menu()
365	self.edit_model_menu.AppendMenu(d_id,
366	'Delete', self.delete_menu)
367	self.set_edit_menu_helper(owner, self.delete_custom_model)
368
369	def set_edit_menu_helper(self, owner=None, menu=None):
370	"""
371	help for setting list of the edit model menu labels
372	"""
373	if menu == None:
374	menu = self.edit_custom_model
375	list_fnames = os.listdir(models.find_plugins_dir())
376	list_fnames.sort()
377	for f_item in list_fnames:
378	name = os.path.basename(f_item)
379	toks = os.path.splitext(name)
380	if toks[-1] == '.py' and not toks[0] == '__init__':
381	if menu == self.edit_custom_model:
382	if toks[0] == 'easy_sum_of_p1_p2':
383	continue
384	submenu = self.edit_menu
385	else:
386	submenu = self.delete_menu
387	has_file = False
388	for item in submenu.GetMenuItems():
389	if name == submenu.GetLabel(item.GetId()):
390	has_file = True
391	if not has_file:
392	id = wx.NewId()
393	submenu.Append(id, name)
394	wx.EVT_MENU(owner, id, menu)
395	has_file = False
396
397	def put_icon(self, frame):
398	"""
399	Put icon in the frame title bar
400	"""
401	if hasattr(frame, "IsIconized"):
402	if not frame.IsIconized():
403	try:
404	icon = self.parent.GetIcon()
405	frame.SetIcon(icon)
406	except:
407	pass
408
409	def on_add_sim_page(self, event):
410	"""
411	Create a page to access simultaneous fit option
412	"""
413	id = event.GetId()
414	caption = "Simultaneous Fit"
415	page = self.sim_page
416	if id == self.id_batchfit:
417	caption = "Combined Batch"
418	page = self.batch_page
419
420	def set_focus_page(page):
421	page.Show(True)
422	page.Refresh()
423	page.SetFocus()
424	self.parent._mgr.Update()
425	msg = "%s already opened\n" % str(page.window_caption)
426	wx.PostEvent(self.parent, StatusEvent(status=msg))
427
428	if page != None:
429	return set_focus_page(page)
430	if caption == "Simultaneous Fit":
431	self.sim_page = self.fit_panel.add_sim_page(caption=caption)
432	else:
433	self.batch_page = self.fit_panel.add_sim_page(caption=caption)
434
435	def help(self, evt):
436	"""
437	Show a general help dialog.
438	"""
439	from help_panel import HelpWindow
440	frame = HelpWindow(None, -1, 'HelpWindow')
441	if hasattr(frame, "IsIconized"):
442	if not frame.IsIconized():
443	try:
444	icon = self.parent.GetIcon()
445	frame.SetIcon(icon)
446	except:
447	pass
448	frame.Show(True)
449
450	def get_context_menu(self, plotpanel=None):
451	"""
452	Get the context menu items available for P(r).them allow fitting option
453	for Data2D and Data1D only.
454
455	:param graph: the Graph object to which we attach the context menu
456
457	:return: a list of menu items with call-back function
458
459	:note: if Data1D was generated from Theory1D
460	the fitting option is not allowed
461
462	"""
463	self.plot_panel = plotpanel
464	graph = plotpanel.graph
465	fit_option = "Select data for fitting"
466	fit_hint = "Dialog with fitting parameters "
467
468	if graph.selected_plottable not in plotpanel.plots:
469	return []
470	item = plotpanel.plots[graph.selected_plottable]
471	if item.__class__.__name__ is "Data2D":
472	if hasattr(item, "is_data"):
473	if item.is_data:
474	return [[fit_option, fit_hint, self._onSelect]]
475	else:
476	return []
477	return [[fit_option, fit_hint, self._onSelect]]
478	else:
479
480	# if is_data is true , this in an actual data loaded
481	#else it is a data created from a theory model
482	if hasattr(item, "is_data"):
483	if item.is_data:
484	return [[fit_option, fit_hint, self._onSelect]]
485	else:
486	return []
487	return [[fit_option, fit_hint, self._onSelect]]
488	return []
489
490	def get_panels(self, parent):
491	"""
492	Create and return a list of panel objects
493	"""
494	self.parent = parent
495	#self.parent.Bind(EVT_FITSTATE_UPDATE, self.on_set_state_helper)
496	# Creation of the fit panel
497	self.fit_panel = FitPanel(parent=self.parent, manager=self)
498	self.on_add_new_page(event=None)
499	#Set the manager for the main panel
500	self.fit_panel.set_manager(self)
501	# List of windows used for the perspective
502	self.perspective = []
503	self.perspective.append(self.fit_panel.window_name)
504
505	#index number to create random model name
506	self.index_model = 0
507	self.index_theory = 0
508	self.parent.Bind(EVT_SLICER_PANEL, self._on_slicer_event)
509	self.parent.Bind(EVT_SLICER_PARS_UPDATE, self._onEVT_SLICER_PANEL)
510	self.parent._mgr.Bind(wx.aui.EVT_AUI_PANE_CLOSE,self._onclearslicer)
511	#Create reader when fitting panel are created
512	self.state_reader = Reader(self.set_state)
513	#append that reader to list of available reader
514	loader = Loader()
515	loader.associate_file_reader(".fitv", self.state_reader)
516	#Send the fitting panel to guiframe
517	self.mypanels.append(self.fit_panel)
518	return self.mypanels
519
520	def clear_panel(self):
521	"""
522	"""
523	self.fit_panel.clear_panel()
524
525	def set_default_perspective(self):
526	"""
527	Call back method that True to notify the parent that the current plug-in
528	can be set as default perspective.
529	when returning False, the plug-in is not candidate for an automatic
530	default perspective setting
531	"""
532	return True
533
534	def delete_data(self, data):
535	"""
536	delete the given data from panel
537	"""
538	self.fit_panel.delete_data(data)
539
540	def set_data(self, data_list=None):
541	"""
542	receive a list of data to fit
543	"""
544	if data_list is None:
545	data_list = []
546	selected_data_list = []
547	if self.batch_on:
548	page = self.add_fit_page(data=data_list)
549	else:
550	if len(data_list) > MAX_NBR_DATA:
551	from fitting_widgets import DataDialog
552	dlg = DataDialog(data_list=data_list, nb_data=MAX_NBR_DATA)
553	if dlg.ShowModal() == wx.ID_OK:
554	selected_data_list = dlg.get_data()
555	dlg.Destroy()
556
557	else:
558	selected_data_list = data_list
559	try:
560	group_id = wx.NewId()
561	for data in selected_data_list:
562	if data is not None:
563	# 2D has no same group_id
564	if data.__class__.__name__ == 'Data2D':
565	group_id = wx.NewId()
566	data.group_id = group_id
567	if group_id not in data.list_group_id:
568	data.list_group_id.append(group_id)
569	page = self.add_fit_page(data=[data])
570	except:
571	msg = "Fitting Set_data: " + str(sys.exc_value)
572	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
573
574	def set_top_panel(self):
575	"""
576	Close default (welcome) panel
577	"""
578	if 'default' in self.parent.panels:
579	self.parent.on_close_welcome_panel()
580
581
582	def set_theory(self, theory_list=None):
583	"""
584	"""
585	#set the model state for a given theory_state:
586	for item in theory_list:
587	try:
588	_, theory_state = item
589	self.fit_panel.set_model_state(theory_state)
590	except:
591	msg = "Fitting: cannot deal with the theory received"
592	logging.error("set_theory " + msg + "\n" + str(sys.exc_value))
593	wx.PostEvent(self.parent,
594	StatusEvent(status=msg, info="error"))
595
596	def set_state(self, state=None, datainfo=None, format=None):
597	"""
598	Call-back method for the fit page state reader.
599	This method is called when a .fitv/.svs file is loaded.
600
601	: param state: PageState object
602	: param datainfo: data
603	"""
604	#state = self.state_reader.get_state()
605	if state != None:
606	state = state.clone()
607	# store fitting state in temp_state
608	self.temp_state.append(state)
609	else:
610	self.temp_state = []
611	# index to start with for a new set_state
612	self.state_index = 0
613	# state file format
614	self.sfile_ext = format
615
616	self.on_set_state_helper(event=None)
617
618	def on_set_state_helper(self, event=None):
619	"""
620	Set_state_helper. This actually sets state
621	after plotting data from state file.
622
623	: event: FitStateUpdateEvent called
624	by dataloader.plot_data from guiframe
625	"""
626	if len(self.temp_state) == 0:
627	if self.state_index == 0 and len(self.mypanels) <= 0 \
628	and self.sfile_ext == '.svs':
629	self.temp_state = []
630	self.state_index = 0
631	return
632
633	try:
634	# Load fitting state
635	state = self.temp_state[self.state_index]
636	#panel state should have model selection to set_state
637	if state.formfactorcombobox != None:
638	#set state
639	data = self.parent.create_gui_data(state.data)
640	data.group_id = state.data.group_id
641	self.parent.add_data(data_list={data.id: data})
642	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
643	title=data.title))
644	#need to be fix later make sure we are sendind guiframe.data
645	#to panel
646	state.data = data
647	page = self.fit_panel.set_state(state)
648	else:
649	#just set data because set_state won't work
650	data = self.parent.create_gui_data(state.data)
651	data.group_id = state.data.group_id
652	self.parent.add_data(data_list={data.id: data})
653	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
654	title=data.title))
655	page = self.add_fit_page([data])
656	caption = page.window_caption
657	self.store_data(uid=page.uid, data_list=page.get_data_list(),
658	caption=caption)
659	self.mypanels.append(page)
660
661	# get ready for the next set_state
662	self.state_index += 1
663
664	#reset state variables to default when all set_state is finished.
665	if len(self.temp_state) == self.state_index:
666
667	self.temp_state = []
668	#self.state_index = 0
669	# Make sure the user sees the fitting panel after loading
670	#self.parent.set_perspective(self.perspective)
671	self.on_perspective(event=None)
672	except:
673	self.state_index = 0
674	self.temp_state = []
675	raise
676
677	def set_param2fit(self, uid, param2fit):
678	"""
679	Set the list of param names to fit for fitprobelm
680	"""
681	self.page_finder[uid].set_param2fit(param2fit)
682
683	def set_graph_id(self, uid, graph_id):
684	"""
685	Set graph_id for fitprobelm
686	"""
687	self.page_finder[uid].set_graph_id(graph_id)
688
689	def get_graph_id(self, uid):
690	"""
691	Set graph_id for fitprobelm
692	"""
693	return self.page_finder[uid].get_graph_id()
694
695	def save_fit_state(self, filepath, fitstate):
696	"""
697	save fit page state into file
698	"""
699	self.state_reader.write(filename=filepath, fitstate=fitstate)
700
701	def set_fit_weight(self, uid, flag, is2d=False, fid=None):
702	"""
703	Set the fit weights of a given page for all
704	its data by default. If fid is provide then set the range
705	only for the data with fid as id
706	:param uid: id corresponding to a fit page
707	:param fid: id corresponding to a fit problem (data, model)
708	:param weight: current dy data
709	"""
710	if uid in self.page_finder.keys():
711	self.page_finder[uid].set_weight(flag=flag, is2d=is2d)
712
713	def set_fit_range(self, uid, qmin, qmax, fid=None):
714	"""
715	Set the fitting range of a given page for all
716	its data by default. If fid is provide then set the range
717	only for the data with fid as id
718	:param uid: id corresponding to a fit page
719	:param fid: id corresponding to a fit problem (data, model)
720	:param qmin: minimum value of the fit range
721	:param qmax: maximum value of the fit range
722	"""
723	if uid in self.page_finder.keys():
724	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax, fid=fid)
725
726	def schedule_for_fit(self, value=0, uid=None):
727	"""
728	Set the fit problem field to 0 or 1 to schedule that problem to fit.
729	Schedule the specified fitproblem or get the fit problem related to
730	the current page and set value.
731	:param value: integer 0 or 1
732	:param uid: the id related to a page contaning fitting information
733	"""
734	if uid in self.page_finder.keys():
735	self.page_finder[uid].schedule_tofit(value)
736
737	def get_page_finder(self):
738	"""
739	return self.page_finder used also by simfitpage.py
740	"""
741	return self.page_finder
742
743	def set_page_finder(self, modelname, names, values):
744	"""
745	Used by simfitpage.py to reset a parameter given the string constrainst.
746
747	:param modelname: the name ot the model for with the parameter
748	has to reset
749	:param value: can be a string in this case.
750	:param names: the paramter name
751
752	:note: expecting park used for fit.
753
754	"""
755	sim_page_id = self.sim_page.uid
756	for uid, value in self.page_finder.iteritems():
757	if uid != sim_page_id and uid != self.batch_page.uid:
758	list = value.get_model()
759	model = list[0]
760	if model.name == modelname:
761	value.set_model_param(names, values)
762	break
763
764	def split_string(self, item):
765	"""
766	receive a word containing dot and split it. used to split parameterset
767	name into model name and parameter name example: ::
768
769	paramaterset (item) = M1.A
770	Will return model_name = M1 , parameter name = A
771
772	"""
773	if item.find(".") >= 0:
774	param_names = re.split("\.", item)
775	model_name = param_names[0]
776	##Assume max len is 3; eg., M0.radius.width
777	if len(param_names) == 3:
778	param_name = param_names[1] + "." + param_names[2]
779	else:
780	param_name = param_names[1]
781	return model_name, param_name
782
783	def set_ftol(self, ftol=None):
784	"""
785	Set ftol: Relative error desired in the sum of chi squares.
786	"""
787	# check if it is flaot
788	try:
789	f_tol = float(ftol)
790	except:
791	# default
792	f_tol = SANS_F_TOL
793
794	self.ftol = f_tol
795	# update ftol menu help strings
796	ftol_help = "Change the current FTolerance (=%s) " % str(self.ftol)
797	ftol_help += "of Simple FitEngine..."
798	if self.menu1 != None:
799	self.menu1.SetHelpString(self.id_tol, ftol_help)
800
801	def show_ftol_dialog(self, event=None):
802	"""
803	Dialog to select ftol for Scipy
804	"""
805	#if event != None:
806	# event.Skip()
807	from ftol_dialog import ChangeFtol
808	panel = ChangeFtol(self.parent, self)
809	panel.ShowModal()
810
811	def stop_fit(self, uid):
812	"""
813	Stop the fit engine
814	"""
815	if uid in self.fit_thread_list.keys():
816	calc_fit = self.fit_thread_list[uid]
817	if calc_fit is not None and calc_fit.isrunning():
818	calc_fit.stop()
819	msg = "Fit stop!"
820	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
821	del self.fit_thread_list[uid]
822	#set the fit button label of page when fit stop is trigger from
823	#simultaneous fit pane
824	sim_flag = self.sim_page is not None and uid == self.sim_page.uid
825	batch_flag = self.batch_page is not None and uid == self.batch_page.uid
826	if sim_flag or batch_flag:
827	for uid, value in self.page_finder.iteritems():
828	if value.get_scheduled() == 1:
829	if uid in self.fit_panel.opened_pages.keys():
830	panel = self.fit_panel.opened_pages[uid]
831	panel._on_fit_complete()
832
833	def set_smearer(self, uid, smearer, fid, qmin=None, qmax=None, draw=True,
834	enable_smearer=False):
835	"""
836	Get a smear object and store it to a fit problem of fid as id. If proper
837	flag is enable , will plot the theory with smearing information.
838
839	:param smearer: smear object to allow smearing data of id fid
840	:param enable_smearer: Define whether or not all (data, model) contained
841	in the structure of id uid will be smeared before fitting.
842	:param qmin: the maximum value of the theory plotting range
843	:param qmax: the maximum value of the theory plotting range
844	:param draw: Determine if the theory needs to be plot
845	"""
846	if uid not in self.page_finder.keys():
847	return
848	self.page_finder[uid].enable_smearing(flag=enable_smearer)
849	self.page_finder[uid].set_smearer(smearer, fid=fid)
850	if draw:
851	## draw model 1D with smeared data
852	data = self.page_finder[uid].get_fit_data(fid=fid)
853	if data is None:
854	msg = "set_mearer requires at least data.\n"
855	msg += "Got data = %s .\n" % str(data)
856	return
857	#raise ValueError, msg
858	model = self.page_finder[uid].get_model(fid=fid)
859	if model is None:
860	return
861	enable1D = issubclass(data.__class__, Data1D)
862	enable2D = issubclass(data.__class__, Data2D)
863	## if user has already selected a model to plot
864	## redraw the model with data smeared
865	smear = self.page_finder[uid].get_smearer(fid=fid)
866
867	# compute weight for the current data
868	weight = self.page_finder[uid].get_weight(fid=fid)
869
870	self.draw_model(model=model, data=data, page_id=uid, smearer=smear,
871	enable1D=enable1D, enable2D=enable2D,
872	qmin=qmin, qmax=qmax, weight=weight)
873	self._mac_sleep(0.2)
874
875	def _mac_sleep(self, sec=0.2):
876	"""
877	Give sleep to MAC
878	"""
879	if ON_MAC:
880	time.sleep(sec)
881
882	def draw_model(self, model, page_id, data=None, smearer=None,
883	enable1D=True, enable2D=False,
884	state=None,
885	fid=None,
886	toggle_mode_on=False,
887	qmin=None, qmax=None,
888	update_chisqr=True, weight=None, source='model'):
889	"""
890	Draw model.
891
892	:param model: the model to draw
893	:param name: the name of the model to draw
894	:param data: the data on which the model is based to be drawn
895	:param description: model's description
896	:param enable1D: if true enable drawing model 1D
897	:param enable2D: if true enable drawing model 2D
898	:param qmin: Range's minimum value to draw model
899	:param qmax: Range's maximum value to draw model
900	:param qstep: number of step to divide the x and y-axis
901	:param update_chisqr: update chisqr [bool]
902
903	"""
904	#self.weight = weight
905	if issubclass(data.__class__, Data1D) or not enable2D:
906	## draw model 1D with no loaded data
907	self._draw_model1D(model=model,
908	data=data,
909	page_id=page_id,
910	enable1D=enable1D,
911	smearer=smearer,
912	qmin=qmin,
913	qmax=qmax,
914	fid=fid,
915	weight=weight,
916	toggle_mode_on=toggle_mode_on,
917	state=state,
918	update_chisqr=update_chisqr,
919	source=source)
920	else:
921	## draw model 2D with no initial data
922	self._draw_model2D(model=model,
923	page_id=page_id,
924	data=data,
925	enable2D=enable2D,
926	smearer=smearer,
927	qmin=qmin,
928	qmax=qmax,
929	fid=fid,
930	weight=weight,
931	state=state,
932	toggle_mode_on=toggle_mode_on,
933	update_chisqr=update_chisqr,
934	source=source)
935
936	def onFit(self, uid):
937	"""
938	Get series of data, model, associates parameters and range and send then
939	to series of fit engines. Fit data and model, display result to
940	corresponding panels.
941	:param uid: id related to the panel currently calling this fit function.
942	"""
943	flag = True
944	## count the number of fitproblem schedule to fit
945	fitproblem_count = 0
946	for value in self.page_finder.values():
947	if value.get_scheduled() == 1:
948	fitproblem_count += 1
949	self._gui_engine = self._return_engine_type()
950	self.fitproblem_count = fitproblem_count
951	if self._fit_engine == "park":
952	engineType = "Simultaneous Fit"
953	else:
954	engineType = "Single Fit"
955	fitter_list = []
956	sim_fitter = None
957	is_single_fit = True
958	batch_on = False
959	if self.sim_page is not None and self.sim_page.uid == uid:
960	#simulatanous fit only one engine need to be created
961	## if simultaneous fit change automatically the engine to park
962	self._on_change_engine(engine='park')
963	sim_fitter = Fit(self._fit_engine)
964	sim_fitter.fitter_id = self.sim_page.uid
965	fitter_list.append(sim_fitter)
966	is_single_fit = False
967	batch_on = self.sim_page.batch_on
968
969	self.fitproblem_count = fitproblem_count
970	if self._fit_engine == "park":
971	engineType = "Simultaneous Fit"
972	else:
973	engineType = "Single Fit"
974
975	self.current_pg = None
976	list_page_id = []
977	fit_id = 0
978	batch_inputs = {}
979	batch_outputs = {}
980	for page_id, value in self.page_finder.iteritems():
981	# For simulfit (uid give with None), do for-loop
982	# if uid is specified (singlefit), do it only on the page.
983	if engineType == "Single Fit":
984	#combine more than 1 batch page on single mode
985	if self.batch_page is None or self.batch_page.uid != uid:
986	if page_id != uid:
987	continue
988	try:
989	if value.get_scheduled() == 1:
990	value.nbr_residuals_computed = 0
991	#Get list of parameters name to fit
992	pars = []
993	templist = []
994	page = self.fit_panel.get_page_by_id(page_id)
995	self.set_fit_weight(uid=page.uid,
996	flag=page.get_weight_flag(),
997	is2d=page._is_2D())
998	templist = page.get_param_list()
999	flag = page._update_paramv_on_fit()
1000	if not flag:
1001	msg = "Fitting range or parameter values are"
1002	msg += " invalid in %s" % \
1003	page.window_caption
1004	wx.PostEvent(page.parent.parent,
1005	StatusEvent(status=msg, info="error",
1006	type="stop"))
1007	return flag
1008	for element in templist:
1009	name = str(element[1])
1010	pars.append(name)
1011	fitproblem_list = value.values()
1012	for fitproblem in fitproblem_list:
1013	if sim_fitter is None:
1014	fitter = Fit(self._fit_engine)
1015	fitter.fitter_id = page_id
1016	self._fit_helper(fitproblem=fitproblem,
1017	pars=pars,
1018	fitter=fitter,
1019	fit_id=fit_id,
1020	batch_inputs=batch_inputs,
1021	batch_outputs=batch_outputs)
1022	fitter_list.append(fitter)
1023	else:
1024	fitter = sim_fitter
1025	self._fit_helper(fitproblem=fitproblem,
1026	pars=pars,
1027	fitter=fitter,
1028	fit_id=fit_id,
1029	batch_inputs=batch_inputs,
1030	batch_outputs=batch_outputs)
1031	fit_id += 1
1032	list_page_id.append(page_id)
1033	current_page_id = page_id
1034	value.clear_model_param()
1035	except KeyboardInterrupt:
1036	flag = True
1037	msg = "Fitting terminated"
1038	wx.PostEvent(self.parent, StatusEvent(status=msg, info="info",
1039	type="stop"))
1040	return flag
1041	except:
1042	flag = False
1043	msg = "%s error: %s" % (engineType, sys.exc_value)
1044	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error",
1045	type="stop"))
1046	return flag
1047	## If a thread is already started, stop it
1048	#if self.calc_fit!= None and self.calc_fit.isrunning():
1049	# self.calc_fit.stop()
1050	msg = "Fitting is in progress..."
1051	wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
1052
1053	#Handler used for park engine displayed message
1054	handler = ConsoleUpdate(parent=self.parent,
1055	manager=self,
1056	improvement_delta=0.1)
1057	self._mac_sleep(0.2)
1058	## perform single fit
1059	try:
1060	page = self.fit_panel.get_page_by_id(uid)
1061	batch_on = page.batch_on
1062	except:
1063	try:
1064	#if the id cannot be found then we deal with a self.sim_page
1065	#or a self.batch_page
1066	if self.sim_page is not None and uid == self.sim_page.uid:
1067	batch_on = self.sim_page.batch_on
1068	if self.batch_page is not None and uid == self.batch_page.uid:
1069	batch_on = self.batch_page.batch_on
1070	except:
1071	batch_on = False
1072
1073	# batch fit
1074	if batch_on:
1075	calc_fit = FitThread(handler=handler,
1076	fn=fitter_list,
1077	pars=pars,
1078	batch_inputs=batch_inputs,
1079	batch_outputs=batch_outputs,
1080	page_id=list_page_id,
1081	completefn=self._batch_fit_complete,
1082	ftol=self.ftol,
1083	reset_flag=self.batch_reset_flag)
1084	else:
1085	# single fit: not batch and not simul fit
1086	if not is_single_fit:
1087	current_page_id = self.sim_page.uid
1088	## Perform more than 1 fit at the time
1089	calc_fit = FitThread(handler=handler,
1090	fn=fitter_list,
1091	batch_inputs=batch_inputs,
1092	batch_outputs=batch_outputs,
1093	page_id=list_page_id,
1094	updatefn=handler.update_fit,
1095	completefn=self._fit_completed,
1096	ftol=self.ftol)
1097	self.fit_thread_list[current_page_id] = calc_fit
1098	calc_fit.queue()
1099	msg = "Fitting is in progress..."
1100	wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
1101
1102	self.ready_fit(calc_fit=calc_fit)
1103	return flag
1104
1105	def ready_fit(self, calc_fit):
1106	"""
1107	Ready for another fit
1108	"""
1109	if self.fitproblem_count != None and self.fitproblem_count > 1:
1110	calc_fit.ready(2.5)
1111	else:
1112	time.sleep(0.4)
1113
1114	def remove_plot(self, uid, fid=None, theory=False):
1115	"""
1116	remove model plot when a fit page is closed
1117	:param uid: the id related to the fitpage to close
1118	:param fid: the id of the fitproblem(data, model, range,etc)
1119	"""
1120	if uid not in self.page_finder.keys():
1121	return
1122	fitproblemList = self.page_finder[uid].get_fit_problem(fid)
1123	for fitproblem in fitproblemList:
1124	data = fitproblem.get_fit_data()
1125	model = fitproblem.get_model()
1126	plot_id = None
1127	if model is not None:
1128	plot_id = data.id + model.name
1129	if theory:
1130	plot_id = data.id + model.name
1131	group_id = data.group_id
1132	wx.PostEvent(self.parent, NewPlotEvent(id=plot_id,
1133	group_id=group_id,
1134	action='remove'))
1135
1136	def store_data(self, uid, data_list=None, caption=None):
1137	"""
1138	Recieve a list of data and store them ans well as a caption of
1139	the fit page where they come from.
1140	:param uid: if related to a fit page
1141	:param data_list: list of data to fit
1142	:param caption: caption of the window related to these data
1143	"""
1144	if data_list is None:
1145	data_list = []
1146
1147	self.page_finder[uid].set_fit_data(data=data_list)
1148	if caption is not None:
1149	self.page_finder[uid].set_fit_tab_caption(caption=caption)
1150
1151	def on_add_new_page(self, event=None):
1152	"""
1153	ask fit panel to create a new empty page
1154	"""
1155	try:
1156	page = self.fit_panel.add_empty_page()
1157	# add data associated to the page created
1158	if page != None:
1159	wx.PostEvent(self.parent, StatusEvent(status="Page Created",
1160	info="info"))
1161	else:
1162	msg = "Page was already Created"
1163	wx.PostEvent(self.parent, StatusEvent(status=msg,
1164	info="warning"))
1165	self.set_top_panel()
1166	except:
1167	msg = "Creating Fit page: %s"%sys.exc_value
1168	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
1169
1170	def add_fit_page(self, data):
1171	"""
1172	given a data, ask to the fitting panel to create a new fitting page,
1173	get this page and store it into the page_finder of this plug-in
1174	:param data: is a list of data
1175	"""
1176	page = self.fit_panel.set_data(data)
1177	# page could be None when loading state files
1178	if page == None:
1179	return page
1180	#append Data1D to the panel containing its theory
1181	#if theory already plotted
1182	if page.uid in self.page_finder:
1183	data = page.get_data()
1184	theory_data = self.page_finder[page.uid].get_theory_data(data.id)
1185	if issubclass(data.__class__, Data2D):
1186	data.group_id = wx.NewId()
1187	if theory_data is not None:
1188	group_id = str(page.uid) + " Model1D"
1189	wx.PostEvent(self.parent,
1190	NewPlotEvent(group_id=group_id,
1191	action="delete"))
1192	self.parent.update_data(prev_data=theory_data,
1193	new_data=data)
1194	else:
1195	if theory_data is not None:
1196	group_id = str(page.uid) + " Model2D"
1197	data.group_id = theory_data.group_id
1198	wx.PostEvent(self.parent,
1199	NewPlotEvent(group_id=group_id,
1200	action="delete"))
1201	self.parent.update_data(prev_data=theory_data,
1202	new_data=data)
1203	self.store_data(uid=page.uid, data_list=page.get_data_list(),
1204	caption=page.window_caption)
1205	if self.sim_page is not None and not self.batch_on:
1206	self.sim_page.draw_page()
1207	if self.batch_page is not None and self.batch_on:
1208	self.batch_page.draw_page()
1209
1210	return page
1211
1212	def _onEVT_SLICER_PANEL(self, event):
1213	"""
1214	receive and event telling to update a panel with a name starting with
1215	event.panel_name. this method update slicer panel
1216	for a given interactor.
1217
1218	:param event: contains type of slicer , paramaters for updating
1219	the panel and panel_name to find the slicer 's panel concerned.
1220	"""
1221	for item in self.parent.panels:
1222	name = event.panel_name
1223	if self.parent.panels[item].window_caption.startswith(name):
1224	self.parent.panels[item].set_slicer(event.type, event.params)
1225
1226	self.parent._mgr.Update()
1227
1228	def _closed_fitpage(self, event):
1229	"""
1230	request fitpanel to close a given page when its unique data is removed
1231	from the plot. close fitpage only when the a loaded data is removed
1232	"""
1233	if event is None or event.data is None:
1234	return
1235	if hasattr(event.data, "is_data"):
1236	if not event.data.is_data or \
1237	event.data.__class__.__name__ == "Data1D":
1238	self.fit_panel.close_page_with_data(event.data)
1239
1240	def _reset_schedule_problem(self, value=0, uid=None):
1241	"""
1242	unschedule or schedule all fitproblem to be fit
1243	"""
1244	# case that uid is not specified
1245	if uid == None:
1246	for page_id in self.page_finder.keys():
1247	self.page_finder[page_id].schedule_tofit(value)
1248	# when uid is given
1249	else:
1250	if uid in self.page_finder.keys():
1251	self.page_finder[uid].schedule_tofit(value)
1252
1253	def _fit_helper(self, fitproblem, pars, fitter, fit_id,
1254	batch_inputs, batch_outputs):
1255	"""
1256	Create and set fit engine with series of data and model
1257	:param pars: list of fittable parameters
1258	:param fitter_list: list of fit engine
1259	:param value: structure storing data mapped to their model, range etc.
1260	"""
1261	data = fitproblem.get_fit_data()
1262	model = fitproblem.get_model()
1263	smearer = fitproblem.get_smearer()
1264	qmin, qmax = fitproblem.get_range()
1265
1266	#Extra list of parameters and their constraints
1267	listOfConstraint = []
1268	param = fitproblem.get_model_param()
1269	if len(param) > 0:
1270	for item in param:
1271	## check if constraint
1272	if item[0] != None and item[1] != None:
1273	listOfConstraint.append((item[0], item[1]))
1274	new_model = model
1275	fitter.set_model(new_model, fit_id, pars, data=data,
1276	constraints=listOfConstraint)
1277	fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
1278	qmax=qmax)
1279	fitter.select_problem_for_fit(id=fit_id, value=1)
1280
1281	def _onSelect(self, event):
1282	"""
1283	when Select data to fit a new page is created .Its reference is
1284	added to self.page_finder
1285	"""
1286	panel = self.plot_panel
1287	if panel == None:
1288	raise ValueError, "Fitting:_onSelect: NonType panel"
1289	Plugin.on_perspective(self, event=event)
1290	self.select_data(panel)
1291
1292	def select_data(self, panel):
1293	"""
1294	"""
1295	for plottable in panel.graph.plottables:
1296	if plottable.__class__.__name__ in ["Data1D", "Theory1D"]:
1297	data_id = panel.graph.selected_plottable
1298	if plottable == panel.plots[data_id]:
1299	data = plottable
1300	self.add_fit_page(data=[data])
1301	return
1302	else:
1303	data = plottable
1304	self.add_fit_page(data=[data])
1305	self.set_top_panel()
1306
1307	def update_fit(self, result=None, msg=""):
1308	"""
1309	"""
1310	print "update_fit result", result
1311
1312	def _batch_fit_complete(self, result, pars, page_id,
1313	batch_outputs, batch_inputs, elapsed=None):
1314	"""
1315	Display fit result in batch
1316	:param result: list of objects received fromt fit engines
1317	:param pars: list of fitted parameters names
1318	:param page_id: list of page ids which called fit function
1319	:param elapsed: time spent at the fitting level
1320	"""
1321	self._mac_sleep(0.2)
1322	uid = page_id[0]
1323	if uid in self.fit_thread_list.keys():
1324	del self.fit_thread_list[uid]
1325
1326	self._update_fit_button(page_id)
1327	t1 = time.time()
1328	str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
1329	msg = "Fit completed on %s \n" % str_time
1330	msg += "Duration time: %s s.\n" % str(elapsed)
1331	wx.PostEvent(self.parent, StatusEvent(status=msg, info="info",
1332	type="stop"))
1333
1334	if batch_outputs is None:
1335	batch_outputs = {}
1336
1337	# format batch_outputs
1338	batch_outputs["Chi2"] = []
1339	#Don't like these loops
1340	# Need to create dictionary of all fitted parameters
1341	# since the number of parameters can differ between each fit result
1342	for list_res in result:
1343	for res in list_res:
1344	model, data = res.inputs[0]
1345	if model is not None and hasattr(model, "model"):
1346	model = model.model
1347	#get all fittable parameters of the current model
1348	for param in model.getParamList():
1349	if param not in batch_outputs.keys():
1350	batch_outputs[param] = []
1351	for param in model.getDispParamList():
1352	if not model.is_fittable(param) and \
1353	param in batch_outputs.keys():
1354	del batch_outputs[param]
1355	# Add fitted parameters and their error
1356	for param in res.param_list:
1357	if param not in batch_outputs.keys():
1358	batch_outputs[param] = []
1359	err_param = "error on %s" % str(param)
1360	if err_param not in batch_inputs.keys():
1361	batch_inputs[err_param] = []
1362	msg = ""
1363	for list_res in result:
1364	for res in list_res:
1365	pid = res.fitter_id
1366	model, data = res.inputs[0]
1367	correct_result = False
1368	if model is not None and hasattr(model, "model"):
1369	model = model.model
1370	if data is not None and hasattr(data, "sans_data"):
1371	data = data.sans_data
1372
1373	is_data2d = issubclass(data.__class__, Data2D)
1374	#check consistency of arrays
1375	if not is_data2d:
1376	if len(res.theory) == len(res.index[res.index]) and \
1377	len(res.index) == len(data.y):
1378	correct_result = True
1379	else:
1380	copy_data = deepcopy(data)
1381	new_theory = copy_data.data
1382	new_theory[res.index] = res.theory
1383	new_theory[res.index == False] = numpy.nan
1384	correct_result = True
1385	#get all fittable parameters of the current model
1386	param_list = model.getParamList()
1387	for param in model.getDispParamList():
1388	if not model.is_fittable(param) and \
1389	param in param_list:
1390	param_list.remove(param)
1391	if not correct_result or res.fitness is None or \
1392	not numpy.isfinite(res.fitness) or \
1393	numpy.any(res.pvec == None) or not \
1394	numpy.all(numpy.isfinite(res.pvec)):
1395	data_name = str(None)
1396	if data is not None:
1397	data_name = str(data.name)
1398	model_name = str(None)
1399	if model is not None:
1400	model_name = str(model.name)
1401	msg += "Data %s and Model %s did not fit.\n" % (data_name,
1402	model_name)
1403	ERROR = numpy.NAN
1404	cell = BatchCell()
1405	cell.label = res.fitness
1406	cell.value = res.fitness
1407	batch_outputs["Chi2"].append(ERROR)
1408	for param in param_list:
1409	# save value of fixed parameters
1410	if param not in res.param_list:
1411	batch_outputs[str(param)].append(ERROR)
1412	else:
1413	#save only fitted values
1414	batch_outputs[param].append(ERROR)
1415	batch_inputs["error on %s" % str(param)].append(ERROR)
1416	else:
1417	# ToDo: Why sometimes res.pvec comes with numpy.float64?
1418	# Need to fix it within ScipyEngine
1419	if res.pvec.__class__ == numpy.float64:
1420	res.pvec = [res.pvec]
1421
1422	cell = BatchCell()
1423	cell.label = res.fitness
1424	cell.value = res.fitness
1425	batch_outputs["Chi2"].append(cell)
1426	# add parameters to batch_results
1427	for param in param_list:
1428	# save value of fixed parameters
1429	if param not in res.param_list:
1430	batch_outputs[str(param)].append(model.getParam(param))
1431	else:
1432	index = res.param_list.index(param)
1433	#save only fitted values
1434	batch_outputs[param].append(res.pvec[index])
1435	if res.stderr is not None and \
1436	len(res.stderr) == len(res.param_list):
1437	item = res.stderr[index]
1438	batch_inputs["error on %s" % param].append(item)
1439	else:
1440	batch_inputs["error on %s" % param].append('-')
1441	model.setParam(param, res.pvec[index])
1442	#fill the batch result with emtpy value if not in the current
1443	#model
1444	EMPTY = "-"
1445	for key in batch_outputs.keys():
1446	if key not in param_list and key not in ["Chi2", "Data"]:
1447	batch_outputs[key].append(EMPTY)
1448
1449	self.page_finder[pid].set_batch_result(batch_inputs=batch_inputs,
1450	batch_outputs=batch_outputs)
1451
1452	cpage = self.fit_panel.get_page_by_id(pid)
1453	cpage._on_fit_complete()
1454	self.page_finder[pid][data.id].set_result(res)
1455	fitproblem = self.page_finder[pid][data.id]
1456	qmin, qmax = fitproblem.get_range()
1457	plot_result = False
1458	if correct_result:
1459	if not is_data2d:
1460	self._complete1D(x=data.x[res.index], y=res.theory, page_id=pid,
1461	elapsed=None,
1462	index=res.index, model=model,
1463	weight=None, fid=data.id,
1464	toggle_mode_on=False, state=None,
1465	data=data, update_chisqr=False,
1466	source='fit', plot_result=plot_result)
1467	else:
1468	self._complete2D(image=new_theory, data=data,
1469	model=model,
1470	page_id=pid, elapsed=None,
1471	index=res.index,
1472	qmin=qmin,
1473	qmax=qmax, fid=data.id, weight=None,
1474	toggle_mode_on=False, state=None,
1475	update_chisqr=False,
1476	source='fit', plot_result=plot_result)
1477	self.on_set_batch_result(page_id=pid,
1478	fid=data.id,
1479	batch_outputs=batch_outputs,
1480	batch_inputs=batch_inputs)
1481
1482	wx.PostEvent(self.parent, StatusEvent(status=msg, error="info",
1483	type="stop"))
1484	# Remove parameters that are not shown
1485	cpage = self.fit_panel.get_page_by_id(uid)
1486	tbatch_outputs = {}
1487	shownkeystr = cpage.get_copy_params()
1488	for key in batch_outputs.keys():
1489	if key in ["Chi2", "Data"] or shownkeystr.count(key) > 0:
1490	tbatch_outputs[key] = batch_outputs[key]
1491
1492	wx.CallAfter(self.parent.on_set_batch_result, tbatch_outputs,
1493	batch_inputs, self.sub_menu)
1494
1495	def on_set_batch_result(self, page_id, fid, batch_outputs, batch_inputs):
1496	"""
1497	"""
1498	pid = page_id
1499	if fid not in self.page_finder[pid]:
1500	return
1501	fitproblem = self.page_finder[pid][fid]
1502	index = self.page_finder[pid].nbr_residuals_computed - 1
1503	residuals = fitproblem.get_residuals()
1504	theory_data = fitproblem.get_theory_data()
1505	data = fitproblem.get_fit_data()
1506	model = fitproblem.get_model()
1507	#fill batch result information
1508	if "Data" not in batch_outputs.keys():
1509	batch_outputs["Data"] = []
1510	from sans.guiframe.data_processor import BatchCell
1511	cell = BatchCell()
1512	cell.label = data.name
1513	cell.value = index
1514
1515	if theory_data != None:
1516	#Suucessful fit
1517	theory_data.id = wx.NewId()
1518	theory_data.name = model.name + "[%s]" % str(data.name)
1519	if issubclass(theory_data.__class__, Data2D):
1520	group_id = wx.NewId()
1521	theory_data.group_id = group_id
1522	if group_id not in theory_data.list_group_id:
1523	theory_data.list_group_id.append(group_id)
1524
1525	try:
1526	# associate residuals plot
1527	if issubclass(residuals.__class__, Data2D):
1528	group_id = wx.NewId()
1529	residuals.group_id = group_id
1530	if group_id not in residuals.list_group_id:
1531	residuals.list_group_id.append(group_id)
1532	batch_outputs["Chi2"][index].object = [residuals]
1533	except:
1534	pass
1535
1536	cell.object = [data, theory_data]
1537	batch_outputs["Data"].append(cell)
1538	for key, value in data.meta_data.iteritems():
1539	if key not in batch_inputs.keys():
1540	batch_inputs[key] = []
1541	#if key.lower().strip() != "loader":
1542	batch_inputs[key].append(value)
1543	param = "temperature"
1544	if hasattr(data.sample, param):
1545	if param not in batch_inputs.keys():
1546	batch_inputs[param] = []
1547	batch_inputs[param].append(data.sample.temperature)
1548
1549	def _fit_completed(self, result, page_id, batch_outputs,
1550	batch_inputs=None, pars=None, elapsed=None):
1551	"""
1552	Display result of the fit on related panel(s).
1553	:param result: list of object generated when fit ends
1554	:param pars: list of names of parameters fitted
1555	:param page_id: list of page ids which called fit function
1556	:param elapsed: time spent at the fitting level
1557	"""
1558	t1 = time.time()
1559	str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
1560	msg = "Fit completed on %s \n" % str_time
1561	msg += "Duration time: %s s.\n" % str(elapsed)
1562	wx.PostEvent(self.parent, StatusEvent(status=msg, info="info",
1563	type="stop"))
1564	# reset fit_engine if changed by simul_fit
1565	if self._fit_engine != self._gui_engine:
1566	self._on_change_engine(self._gui_engine)
1567	self._update_fit_button(page_id)
1568	result = result[0]
1569	self.fit_thread_list = {}
1570	if page_id is None:
1571	page_id = []
1572	## fit more than 1 model at the same time
1573	self._mac_sleep(0.2)
1574	try:
1575	index = 0
1576	for uid in page_id:
1577	res = result[index]
1578	if res.fitness is None or \
1579	not numpy.isfinite(res.fitness) or \
1580	numpy.any(res.pvec == None) or \
1581	not numpy.all(numpy.isfinite(res.pvec)):
1582	msg = "Fitting did not converge!!!"
1583	wx.PostEvent(self.parent,
1584	StatusEvent(status=msg,
1585	info="warning",
1586	type="stop"))
1587	self._update_fit_button(page_id)
1588	else:
1589	#set the panel when fit result are float not list
1590	if res.pvec.__class__ == numpy.float64:
1591	pvec = [res.pvec]
1592	else:
1593	pvec = res.pvec
1594	if res.stderr.__class__ == numpy.float64:
1595	stderr = [res.stderr]
1596	else:
1597	stderr = res.stderr
1598	cpage = self.fit_panel.get_page_by_id(uid)
1599	# Make sure we got all results
1600	#(CallAfter is important to MAC)
1601	try:
1602	#if res != None:
1603	wx.CallAfter(cpage.onsetValues, res.fitness,
1604	res.param_list,
1605	pvec, stderr)
1606	index += 1
1607	wx.CallAfter(cpage._on_fit_complete)
1608	except KeyboardInterrupt:
1609	msg = "Singular point: Fitting Stoped."
1610	wx.PostEvent(self.parent, StatusEvent(status=msg,
1611	info="info",
1612	type="stop"))
1613	except:
1614	msg = "Singular point: Fitting Error occurred."
1615	wx.PostEvent(self.parent, StatusEvent(status=msg,
1616	info="error",
1617	type="stop"))
1618
1619	except:
1620	msg = "Fit completed 33but Following"
1621	msg += " error occurred:%s" % sys.exc_value
1622	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error",
1623	type="stop"))
1624
1625	def _update_fit_button(self, page_id):
1626	"""
1627	Update Fit button when fit stopped
1628
1629	: parameter page_id: fitpage where the button is
1630	"""
1631	if page_id.__class__.__name__ != 'list':
1632	page_id = [page_id]
1633	for uid in page_id:
1634	page = self.fit_panel.get_page_by_id(uid)
1635	page._on_fit_complete()
1636
1637	def _on_show_panel(self, event):
1638	"""
1639	"""
1640	pass
1641
1642	def on_reset_batch_flag(self, event):
1643	"""
1644	Set batch_reset_flag
1645	"""
1646	event.Skip()
1647	if self.menu1 == None:
1648	return
1649	menu_item = self.menu1.FindItemById(self.id_reset_flag)
1650	flag = menu_item.IsChecked()
1651	if not flag:
1652	menu_item.Check(False)
1653	self.batch_reset_flag = True
1654	else:
1655	menu_item.Check(True)
1656	self.batch_reset_flag = False
1657
1658	## post a message to status bar
1659	msg = "Set Chain Fitting: %s" % str(not self.batch_reset_flag)
1660	wx.PostEvent(self.parent,
1661	StatusEvent(status=msg))
1662
1663	def _onset_engine_park(self, event):
1664	"""
1665	set engine to park
1666	"""
1667	self._on_change_engine('park')
1668
1669	def _onset_engine_scipy(self, event):
1670	"""
1671	set engine to scipy
1672	"""
1673	self._on_change_engine('scipy')
1674
1675	def _on_slicer_event(self, event):
1676	"""
1677	Receive a panel as event and send it to guiframe
1678
1679	:param event: event containing a panel
1680
1681	"""
1682	if event.panel is not None:
1683	new_panel = event.panel
1684	self.slicer_panels.append(event.panel)
1685	# Set group ID if available
1686	event_id = self.parent.popup_panel(new_panel)
1687	new_panel.uid = event_id
1688	self.mypanels.append(new_panel)
1689
1690	def _onclearslicer(self, event):
1691	"""
1692	Clear the boxslicer when close the panel associate with this slicer
1693	"""
1694	name = event.GetPane().caption
1695
1696	for panel in self.slicer_panels:
1697	if panel.window_caption == name:
1698
1699	for item in self.parent.panels:
1700	if hasattr(self.parent.panels[item], "uid"):
1701	if self.parent.panels[item].uid == panel.base.uid:
1702	self.parent.panels[item].onClearSlicer(event)
1703	self.parent._mgr.Update()
1704	break
1705	break
1706
1707	def _return_engine_type(self):
1708	"""
1709	return the current type of engine
1710	"""
1711	return self._fit_engine
1712
1713	def _on_change_engine(self, engine='park'):
1714	"""
1715	Allow to select the type of engine to perform fit
1716
1717	:param engine: the key work of the engine
1718
1719	"""
1720	## saving fit engine name
1721	self._fit_engine = engine
1722	## change menu item state
1723	if engine == "park":
1724	self.menu1.FindItemById(self.park_id).Check(True)
1725	self.menu1.FindItemById(self.scipy_id).Check(False)
1726	else:
1727	self.menu1.FindItemById(self.park_id).Check(False)
1728	self.menu1.FindItemById(self.scipy_id).Check(True)
1729	## post a message to status bar
1730	msg = "Engine set to: %s" % self._fit_engine
1731	wx.PostEvent(self.parent,
1732	StatusEvent(status=msg))
1733	## send the current engine type to fitpanel
1734	self.fit_panel._on_engine_change(name=self._fit_engine)
1735
1736	def _on_model_panel(self, evt):
1737	"""
1738	react to model selection on any combo box or model menu.plot the model
1739
1740	:param evt: wx.combobox event
1741
1742	"""
1743	model = evt.model
1744	uid = evt.uid
1745	qmin = evt.qmin
1746	qmax = evt.qmax
1747	caption = evt.caption
1748	enable_smearer = evt.enable_smearer
1749	if model == None:
1750	return
1751	if uid not in self.page_finder.keys():
1752	return
1753	# save the name containing the data name with the appropriate model
1754	self.page_finder[uid].set_model(model)
1755	self.page_finder[uid].enable_smearing(enable_smearer)
1756	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax)
1757	self.page_finder[uid].set_fit_tab_caption(caption=caption)
1758	if self.sim_page is not None and not self.batch_on:
1759	self.sim_page.draw_page()
1760	if self.batch_page is not None and self.batch_on:
1761	self.batch_page.draw_page()
1762
1763	def _update1D(self, x, output):
1764	"""
1765	Update the output of plotting model 1D
1766	"""
1767	msg = "Plot updating ... "
1768	wx.PostEvent(self.parent, StatusEvent(status=msg, type="update"))
1769
1770	def _complete1D(self, x, y, page_id, elapsed, index, model,
1771	weight=None, fid=None,
1772	toggle_mode_on=False, state=None,
1773	data=None, update_chisqr=True,
1774	source='model', plot_result=True):
1775	"""
1776	Complete plotting 1D data
1777	"""
1778	try:
1779	numpy.nan_to_num(y)
1780
1781	new_plot = Data1D(x=x, y=y)
1782	new_plot.is_data = False
1783	new_plot.dy = numpy.zeros(len(y))
1784	new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
1785	_yaxis, _yunit = data.get_yaxis()
1786	_xaxis, _xunit = data.get_xaxis()
1787	new_plot.title = data.name
1788
1789	new_plot.group_id = data.group_id
1790	if new_plot.group_id == None:
1791	new_plot.group_id = data.group_id
1792	new_plot.id = str(page_id) + "model-" + data.name
1793	#if new_plot.id in self.color_dict:
1794	# new_plot.custom_color = self.color_dict[new_plot.id]
1795	#find if this theory was already plotted and replace that plot given
1796	#the same id
1797	theory_data = self.page_finder[page_id].get_theory_data(fid=data.id)
1798
1799	if data.is_data:
1800	data_name = str(data.name)
1801	else:
1802	data_name = str(model.__class__.__name__)
1803
1804	new_plot.name = model.name + " [" + data_name +"]"
1805	new_plot.xaxis(_xaxis, _xunit)
1806	new_plot.yaxis(_yaxis, _yunit)
1807	self.page_finder[page_id].set_theory_data(data=new_plot,
1808	fid=data.id)
1809	self.parent.update_theory(data_id=data.id, theory=new_plot,
1810	state=state)
1811	current_pg = self.fit_panel.get_page_by_id(page_id)
1812	title = new_plot.title
1813	batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
1814	if not batch_on:
1815	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
1816	title=str(title)))
1817	elif plot_result:
1818	top_data_id = self.fit_panel.get_page_by_id(page_id).data.id
1819	if data.id == top_data_id:
1820	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
1821	title=str(title)))
1822	caption = current_pg.window_caption
1823	self.page_finder[page_id].set_fit_tab_caption(caption=caption)
1824
1825	self.page_finder[page_id].set_theory_data(data=new_plot,
1826	fid=data.id)
1827	if toggle_mode_on:
1828	wx.PostEvent(self.parent,
1829	NewPlotEvent(group_id=str(page_id) + " Model2D",
1830	action="Hide"))
1831	else:
1832	if update_chisqr:
1833	wx.PostEvent(current_pg,
1834	Chi2UpdateEvent(output=self._cal_chisqr(
1835	data=data,
1836	fid=fid,
1837	weight=weight,
1838	page_id=page_id,
1839	index=index)))
1840	else:
1841	self._plot_residuals(page_id=page_id, data=data, fid=fid,
1842	index=index, weight=weight)
1843
1844	msg = "Computation completed!"
1845	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
1846	except:
1847	raise
1848
1849	def _update2D(self, output, time=None):
1850	"""
1851	Update the output of plotting model
1852	"""
1853	wx.PostEvent(self.parent, StatusEvent(status="Plot \
1854	#updating ... ", type="update"))
1855	#self.ready_fit()
1856
1857	def _complete2D(self, image, data, model, page_id, elapsed, index, qmin,
1858	qmax, fid=None, weight=None, toggle_mode_on=False, state=None,
1859	update_chisqr=True, source='model', plot_result=True):
1860	"""
1861	Complete get the result of modelthread and create model 2D
1862	that can be plot.
1863	"""
1864	numpy.nan_to_num(image)
1865	new_plot = Data2D(image=image, err_image=data.err_data)
1866	new_plot.name = model.name + '2d'
1867	new_plot.title = "Analytical model 2D "
1868	new_plot.id = str(page_id) + "model-" + data.name
1869	new_plot.group_id = str(page_id) + " Model2D"
1870	new_plot.detector = data.detector
1871	new_plot.source = data.source
1872	new_plot.is_data = False
1873	new_plot.qx_data = data.qx_data
1874	new_plot.qy_data = data.qy_data
1875	new_plot.q_data = data.q_data
1876	new_plot.mask = data.mask
1877	## plot boundaries
1878	new_plot.ymin = data.ymin
1879	new_plot.ymax = data.ymax
1880	new_plot.xmin = data.xmin
1881	new_plot.xmax = data.xmax
1882	title = data.title
1883
1884	new_plot.is_data = False
1885	if data.is_data:
1886	data_name = str(data.name)
1887	else:
1888	data_name = str(model.__class__.__name__) + '2d'
1889
1890	if len(title) > 1:
1891	new_plot.title = "Model2D for %s "% model.name + data_name
1892	new_plot.name = model.name + " [" + \
1893	data_name + "]"
1894	theory_data = deepcopy(new_plot)
1895
1896	self.page_finder[page_id].set_theory_data(data=theory_data,
1897	fid=data.id)
1898	self.parent.update_theory(data_id=data.id,
1899	theory=new_plot,
1900	state=state)
1901	current_pg = self.fit_panel.get_page_by_id(page_id)
1902	title = new_plot.title
1903	if not source == 'fit' and plot_result:
1904	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
1905	title=title))
1906	if toggle_mode_on:
1907	wx.PostEvent(self.parent,
1908	NewPlotEvent(group_id=str(page_id) + " Model1D",
1909	action="Hide"))
1910	else:
1911	# Chisqr in fitpage
1912	if update_chisqr:
1913	wx.PostEvent(current_pg,
1914	Chi2UpdateEvent(output=self._cal_chisqr(data=data,
1915	weight=weight,
1916	fid=fid,
1917	page_id=page_id,
1918	index=index)))
1919	else:
1920	self._plot_residuals(page_id=page_id, data=data, fid=fid,
1921	index=index, weight=weight)
1922	msg = "Computation completed!"
1923	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
1924
1925	def _draw_model2D(self, model, page_id, qmin,
1926	qmax,
1927	data=None, smearer=None,
1928	description=None, enable2D=False,
1929	state=None,
1930	fid=None,
1931	weight=None,
1932	toggle_mode_on=False,
1933	update_chisqr=True, source='model'):
1934	"""
1935	draw model in 2D
1936
1937	:param model: instance of the model to draw
1938	:param description: the description of the model
1939	:param enable2D: when True allows to draw model 2D
1940	:param qmin: the minimum value to draw model 2D
1941	:param qmax: the maximum value to draw model 2D
1942	:param qstep: the number of division of Qx and Qy of the model to draw
1943
1944	"""
1945	if not enable2D:
1946	return None
1947	try:
1948	from model_thread import Calc2D
1949	## If a thread is already started, stop it
1950	if (self.calc_2D is not None) and self.calc_2D.isrunning():
1951	self.calc_2D.stop()
1952	self.calc_2D = Calc2D(model=model,
1953	data=data,
1954	page_id=page_id,
1955	smearer=smearer,
1956	qmin=qmin,
1957	qmax=qmax,
1958	weight=weight,
1959	fid=fid,
1960	toggle_mode_on=toggle_mode_on,
1961	state=state,
1962	completefn=self._complete2D,
1963	update_chisqr=update_chisqr, source=source)
1964	self.calc_2D.queue()
1965	except:
1966	raise
1967
1968	def _draw_model1D(self, model, page_id, data,
1969	qmin, qmax, smearer=None,
1970	state=None,
1971	weight=None,
1972	fid=None,
1973	toggle_mode_on=False, update_chisqr=True, source='model',
1974	enable1D=True):
1975	"""
1976	Draw model 1D from loaded data1D
1977
1978	:param data: loaded data
1979	:param model: the model to plot
1980
1981	"""
1982	if not enable1D:
1983	return
1984	try:
1985	from model_thread import Calc1D
1986	## If a thread is already started, stop it
1987	if (self.calc_1D is not None) and self.calc_1D.isrunning():
1988	self.calc_1D.stop()
1989	self.calc_1D = Calc1D(data=data,
1990	model=model,
1991	page_id=page_id,
1992	qmin=qmin,
1993	qmax=qmax,
1994	smearer=smearer,
1995	state=state,
1996	weight=weight,
1997	fid=fid,
1998	toggle_mode_on=toggle_mode_on,
1999	completefn=self._complete1D,
2000	#updatefn = self._update1D,
2001	update_chisqr=update_chisqr,
2002	source=source)
2003	self.calc_1D.queue()
2004	except:
2005	msg = " Error occurred when drawing %s Model 1D: " % model.name
2006	msg += " %s" % sys.exc_value
2007	wx.PostEvent(self.parent, StatusEvent(status=msg))
2008
2009	def _cal_chisqr(self, page_id, data, weight, fid=None, index=None):
2010	"""
2011	Get handy Chisqr using the output from draw1D and 2D,
2012	instead of calling expansive CalcChisqr in guithread
2013	"""
2014	data_copy = deepcopy(data)
2015	# default chisqr
2016	chisqr = None
2017	#to compute chisq make sure data has valid data
2018	# return None if data == None
2019	if not check_data_validity(data_copy) or data_copy == None:
2020	return chisqr
2021
2022	# Get data: data I, theory I, and data dI in order
2023	if data_copy.__class__.__name__ == "Data2D":
2024	if index == None:
2025	index = numpy.ones(len(data_copy.data), dtype=bool)
2026	if weight != None:
2027	data_copy.err_data = weight
2028	# get rid of zero error points
2029	index = index & (data_copy.err_data != 0)
2030	index = index & (numpy.isfinite(data_copy.data))
2031	fn = data_copy.data[index]
2032	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2033	if theory_data == None:
2034	return chisqr
2035	gn = theory_data.data[index]
2036	en = data_copy.err_data[index]
2037	else:
2038	# 1 d theory from model_thread is only in the range of index
2039	if index == None:
2040	index = numpy.ones(len(data_copy.y), dtype=bool)
2041	if weight != None:
2042	data_copy.dy = weight
2043	if data_copy.dy == None or data_copy.dy == []:
2044	dy = numpy.ones(len(data_copy.y))
2045	else:
2046	## Set consitently w/AbstractFitengine:
2047	# But this should be corrected later.
2048	dy = deepcopy(data_copy.dy)
2049	dy[dy == 0] = 1
2050	fn = data_copy.y[index]
2051
2052	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2053	if theory_data == None:
2054	return chisqr
2055	gn = theory_data.y
2056	en = dy[index]
2057
2058	# residual
2059	res = (fn - gn) / en
2060	residuals = res[numpy.isfinite(res)]
2061	# get chisqr only w/finite
2062	chisqr = numpy.average(residuals * residuals)
2063
2064	self._plot_residuals(page_id=page_id, data=data_copy,
2065	fid=fid,
2066	weight=weight, index=index)
2067
2068	return chisqr
2069
2070	def _plot_residuals(self, page_id, weight, fid=None,
2071	data=None, index=None):
2072	"""
2073	Plot the residuals
2074
2075	:param data: data
2076	:param index: index array (bool)
2077	: Note: this is different from the residuals in cal_chisqr()
2078	"""
2079	data_copy = deepcopy(data)
2080	# Get data: data I, theory I, and data dI in order
2081	if data_copy.__class__.__name__ == "Data2D":
2082	# build residuals
2083	residuals = Data2D()
2084	#residuals.copy_from_datainfo(data)
2085	# Not for trunk the line below, instead use the line above
2086	data_copy.clone_without_data(len(data_copy.data), residuals)
2087	residuals.data = None
2088	fn = data_copy.data
2089	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2090	gn = theory_data.data
2091	if weight == None:
2092	en = data_copy.err_data
2093	else:
2094	en = weight
2095	residuals.data = (fn - gn) / en
2096	residuals.qx_data = data_copy.qx_data
2097	residuals.qy_data = data_copy.qy_data
2098	residuals.q_data = data_copy.q_data
2099	residuals.err_data = numpy.ones(len(residuals.data))
2100	residuals.xmin = min(residuals.qx_data)
2101	residuals.xmax = max(residuals.qx_data)
2102	residuals.ymin = min(residuals.qy_data)
2103	residuals.ymax = max(residuals.qy_data)
2104	residuals.q_data = data_copy.q_data
2105	residuals.mask = data_copy.mask
2106	residuals.scale = 'linear'
2107	# check the lengths
2108	if len(residuals.data) != len(residuals.q_data):
2109	return
2110	else:
2111	# 1 d theory from model_thread is only in the range of index
2112	if data_copy.dy == None or data_copy.dy == []:
2113	dy = numpy.ones(len(data_copy.y))
2114	else:
2115	if weight == None:
2116	dy = numpy.ones(len(data_copy.y))
2117	## Set consitently w/AbstractFitengine:
2118	## But this should be corrected later.
2119	else:
2120	dy = weight
2121	dy[dy == 0] = 1
2122	fn = data_copy.y[index]
2123	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2124	gn = theory_data.y
2125	en = dy[index]
2126	# build residuals
2127	residuals = Data1D()
2128	try:
2129	residuals.y = (fn - gn) / en
2130	except:
2131	msg = "ResidualPlot Error: different # of data points in theory"
2132	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
2133	residuals.y = (fn - gn[index]) / en
2134	residuals.x = data_copy.x[index]
2135	residuals.dy = numpy.ones(len(residuals.y))
2136	residuals.dx = None
2137	residuals.dxl = None
2138	residuals.dxw = None
2139	residuals.ytransform = 'y'
2140	# For latter scale changes
2141	residuals.xaxis('\\rm{Q} ', 'A^{-1}')
2142	residuals.yaxis('\\rm{Residuals} ', 'normalized')
2143	theory_name = str(theory_data.name.split()[0])
2144	new_plot = residuals
2145	new_plot.name = "Residuals for " + str(theory_name) + "[" +\
2146	str(data.name) +"]"
2147	## allow to highlight data when plotted
2148	new_plot.interactive = True
2149	## when 2 data have the same id override the 1 st plotted
2150	new_plot.id = "res" + str(data_copy.id) + str(theory_name)
2151	##group_id specify on which panel to plot this data
2152	group_id = self.page_finder[page_id].get_graph_id()
2153	if group_id == None:
2154	group_id = data.group_id
2155	new_plot.group_id = "res" + str(group_id)
2156	#new_plot.is_data = True
2157	##post data to plot
2158	title = new_plot.name
2159	self.page_finder[page_id].set_residuals(residuals=new_plot,
2160	fid=data.id)
2161	self.parent.update_theory(data_id=data.id, theory=new_plot)
2162	batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
2163	if not batch_on:
2164	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))

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SasView

source: sasview/fittingview/src/sans/perspectives/fitting/fitting.py @ 7619f50

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