fitting.py @ dbc1f73

Last change on this file since dbc1f73 was 98b9f32, checked in by GitHub <noreply@…>, 5 years ago
Merge branch 'master' into py37-sasgui
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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	from __future__ import print_function
14
15	import re
16	import sys
17	import os
18	import wx
19	import logging
20	import numpy as np
21	import time
22	from copy import deepcopy
23	import traceback
24
25	import bumps.options
26	from bumps.gui.fit_dialog import show_fit_config
27	try:
28	from bumps.gui.fit_dialog import EVT_FITTER_CHANGED
29	except ImportError:
30	# CRUFT: bumps 0.7.5.8 and below
31	EVT_FITTER_CHANGED = None # type: wx.PyCommandEvent
32
33	from sas.sascalc.dataloader.loader import Loader
34	from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
35	from sas.sascalc.fit.pagestate import Reader, PageState, SimFitPageState
36	from sas.sascalc.fit import models
37
38	from sas.sasgui.guiframe.dataFitting import Data2D
39	from sas.sasgui.guiframe.dataFitting import Data1D
40	from sas.sasgui.guiframe.dataFitting import check_data_validity
41	from sas.sasgui.guiframe.events import NewPlotEvent
42	from sas.sasgui.guiframe.events import StatusEvent
43	from sas.sasgui.guiframe.events import EVT_SLICER_PANEL
44	from sas.sasgui.guiframe.events import EVT_SLICER_PARS_UPDATE
45	from sas.sasgui.guiframe.gui_style import GUIFRAME_ID
46	from sas.sasgui.guiframe.plugin_base import PluginBase
47	from sas.sasgui.guiframe.data_processor import BatchCell
48	from sas.sasgui.guiframe.gui_manager import MDIFrame
49	from sas.sasgui.guiframe.documentation_window import DocumentationWindow
50
51	from sas.sasgui.perspectives.calculator.model_editor import TextDialog
52	from sas.sasgui.perspectives.calculator.model_editor import EditorWindow
53	from sas.sasgui.perspectives.calculator.pyconsole import PyConsole
54
55	from .fitting_widgets import DataDialog
56	from .fit_thread import FitThread
57	from .fitpage import Chi2UpdateEvent
58	from .console import ConsoleUpdate
59	from .fitproblem import FitProblemDictionary
60	from .fitpanel import FitPanel
61	from .model_thread import Calc1D, Calc2D
62	from .resultpanel import ResultPanel, PlotResultEvent
63	from .gpu_options import GpuOptions
64
65	logger = logging.getLogger(__name__)
66
67	MAX_NBR_DATA = 4
68
69	(PageInfoEvent, EVT_PAGE_INFO) = wx.lib.newevent.NewEvent()
70
71
72	if sys.platform == "win32":
73	ON_MAC = False
74	else:
75	ON_MAC = True
76
77
78	class Plugin(PluginBase):
79	"""
80	Fitting plugin is used to perform fit
81	"""
82	def __init__(self):
83	PluginBase.__init__(self, name="Fitting")
84
85	#list of panel to send to guiframe
86	self.mypanels = []
87	# reference to the current running thread
88	self.calc_2D = None
89	self.calc_1D = None
90
91	self.color_dict = {}
92
93	self.fit_thread_list = {}
94	self.residuals = None
95	self.weight = None
96	self.fit_panel = None
97	self.plot_panel = None
98	# Start with a good default
99	self.elapsed = 0.022
100	self.fit_panel = None
101	## dictionary of page closed and id
102	self.closed_page_dict = {}
103	## Relative error desired in the sum of squares (float)
104	self.batch_reset_flag = True
105	#List of selected data
106	self.selected_data_list = []
107	## list of slicer panel created to display slicer parameters and results
108	self.slicer_panels = []
109	# model 2D view
110	self.model2D_id = None
111	#keep reference of the simultaneous fit page
112	self.sim_page = None
113	self.sim_menu = None
114	self.batch_page = None
115	self.batch_menu = None
116	self.index_model = 0
117	self.test_model_color = None
118	#Create a reader for fit page's state
119	self.state_reader = None
120	self._extensions = '.fitv'
121	self.menu1 = None
122	self.new_model_frame = None
123
124	self.temp_state = []
125	self.state_index = 0
126	self.sfile_ext = None
127	# take care of saving data, model and page associated with each other
128	self.page_finder = {}
129	# Log startup
130	logger.info("Fitting plug-in started")
131	self.batch_capable = self.get_batch_capable()
132
133	def get_batch_capable(self):
134	"""
135	Check if the plugin has a batch capability
136	"""
137	return True
138
139	def create_fit_problem(self, page_id):
140	"""
141	Given an ID create a fitproblem container
142	"""
143	self.page_finder[page_id] = FitProblemDictionary()
144
145	def delete_fit_problem(self, page_id):
146	"""
147	Given an ID create a fitproblem container
148	"""
149	if page_id in self.page_finder:
150	del self.page_finder[page_id]
151
152	def add_color(self, color, id):
153	"""
154	adds a color as a key with a plot id as its value to a dictionary
155	"""
156	self.color_dict[id] = color
157
158	def on_batch_selection(self, flag):
159	"""
160	switch the the notebook of batch mode or not
161	"""
162	self.batch_on = flag
163	if self.fit_panel is not None:
164	self.fit_panel.batch_on = self.batch_on
165
166	def populate_menu(self, owner):
167	"""
168	Create a menu for the Fitting plug-in
169
170	:param id: id to create a menu
171	:param owner: owner of menu
172
173	:return: list of information to populate the main menu
174
175	"""
176	#Menu for fitting
177	self.menu1 = wx.Menu()
178	id1 = wx.NewId()
179	simul_help = "Add new fit panel"
180	self.menu1.Append(id1, '&New Fit Page', simul_help)
181	wx.EVT_MENU(owner, id1, self.on_add_new_page)
182	self.menu1.AppendSeparator()
183	self.id_simfit = wx.NewId()
184	simul_help = "Constrained or Simultaneous Fit"
185	self.menu1.Append(self.id_simfit, '&Constrained or Simultaneous Fit', simul_help)
186	wx.EVT_MENU(owner, self.id_simfit, self.on_add_sim_page)
187	self.sim_menu = self.menu1.FindItemById(self.id_simfit)
188	self.sim_menu.Enable(False)
189	#combined Batch
190	self.id_batchfit = wx.NewId()
191	batch_help = "Combined Batch"
192	self.menu1.Append(self.id_batchfit, '&Combine Batch Fit', batch_help)
193	wx.EVT_MENU(owner, self.id_batchfit, self.on_add_sim_page)
194	self.batch_menu = self.menu1.FindItemById(self.id_batchfit)
195	self.batch_menu.Enable(False)
196
197	self.menu1.AppendSeparator()
198	self.id_bumps_options = wx.NewId()
199	bopts_help = "Fitting options"
200	self.menu1.Append(self.id_bumps_options, 'Fit &Options', bopts_help)
201	wx.EVT_MENU(owner, self.id_bumps_options, self.on_bumps_options)
202	self.bumps_options_menu = self.menu1.FindItemById(self.id_bumps_options)
203	self.bumps_options_menu.Enable(True)
204
205	self.id_gpu_options_panel = wx.NewId()
206	self.menu1.Append(self.id_gpu_options_panel, "OpenCL Options", "Choose OpenCL driver or turn it off")
207	wx.EVT_MENU(owner, self.id_gpu_options_panel, self.on_gpu_options)
208
209	self.id_result_panel = wx.NewId()
210	self.menu1.Append(self.id_result_panel, "Fit Results", "Show fit results panel")
211	wx.EVT_MENU(owner, self.id_result_panel, self.on_fit_results)
212	self.menu1.AppendSeparator()
213
214	self.id_reset_flag = wx.NewId()
215	resetf_help = "BatchFit: If checked, the initial param values will be "
216	resetf_help += "propagated from the previous results. "
217	resetf_help += "Otherwise, the same initial param values will be used "
218	resetf_help += "for all fittings."
219	self.menu1.AppendCheckItem(self.id_reset_flag,
220	"Chain Fitting [BatchFit Only]",
221	resetf_help)
222	wx.EVT_MENU(owner, self.id_reset_flag, self.on_reset_batch_flag)
223	chain_menu = self.menu1.FindItemById(self.id_reset_flag)
224	chain_menu.Check(not self.batch_reset_flag)
225	chain_menu.Enable(self.batch_on)
226
227	self.menu1.AppendSeparator()
228	self.edit_model_menu = wx.Menu()
229	# Find and put files name in menu
230	try:
231	self.set_edit_menu(owner=owner)
232	except:
233	raise
234
235	self.id_edit = wx.NewId()
236	self.menu1.AppendMenu(self.id_edit, "Plugin Model Operations",
237	self.edit_model_menu)
238	#create menubar items
239	return [(self.menu1, self.sub_menu)]
240
241	def edit_custom_model(self, event):
242	"""
243	Get the python editor panel
244	"""
245	event_id = event.GetId()
246	label = self.edit_menu.GetLabel(event_id)
247	filename = os.path.join(models.find_plugins_dir(), label)
248	frame = PyConsole(parent=self.parent, manager=self,
249	panel=self.fit_panel,
250	title='Advanced Plugin Model Editor',
251	filename=filename)
252	self.put_icon(frame)
253	frame.Show(True)
254
255	def delete_custom_model(self, event):
256	"""
257	Delete custom model file
258	"""
259	event_id = event.GetId()
260	label = self.delete_menu.GetLabel(event_id)
261	toks = os.path.splitext(label)
262	path = os.path.join(models.find_plugins_dir(), toks[0])
263	message = "Are you sure you want to delete the file {}?".format(path)
264	dlg = wx.MessageDialog(self.frame, message, '', wx.YES_NO \| wx.ICON_QUESTION)
265	if not dlg.ShowModal() == wx.ID_YES:
266	return
267	try:
268	for ext in ['.py', '.pyc']:
269	p_path = path + ext
270	if ext == '.pyc' and not os.path.isfile(path + ext):
271	# If model is invalid, .pyc file may not exist as model has
272	# never been compiled. Don't try and delete it
273	continue
274	os.remove(p_path)
275	self.update_custom_combo()
276	if os.path.isfile(p_path):
277	msg = "Sorry! unable to delete the default "
278	msg += "plugin model... \n"
279	msg += "Please manually remove the files (.py, .pyc) "
280	msg += "in the 'plugin_models' folder \n"
281	msg += "inside of the SasView application, "
282	msg += "and try it again."
283	wx.MessageBox(msg, 'Info')
284	#evt = StatusEvent(status=msg, type='stop', info='warning')
285	#wx.PostEvent(self.parent, evt)
286	else:
287	self.delete_menu.Delete(event_id)
288	for item in self.edit_menu.GetMenuItems():
289	if item.GetLabel() == label:
290	self.edit_menu.DeleteItem(item)
291	msg = "The plugin model, %s, has been deleted." % label
292	evt = StatusEvent(status=msg, type='stop', info='info')
293	wx.PostEvent(self.parent, evt)
294	break
295	except Exception:
296	traceback.print_exc()
297	msg = 'Delete Error: \nCould not delete the file; Check if in use.'
298	wx.MessageBox(msg, 'Error')
299
300	def make_sum_model(self, event):
301	"""
302	Edit summodel template and make one
303	"""
304	event_id = event.GetId()
305	model_manager = models.ModelManager()
306	model_list = model_manager.composable_models()
307	plug_dir = models.find_plugins_dir()
308	textdial = TextDialog(None, self, wx.ID_ANY, 'Easy Sum/Multi(p1, p2) Editor',
309	model_list, plug_dir)
310	self.put_icon(textdial)
311	textdial.ShowModal()
312	textdial.Destroy()
313
314	def make_new_model(self, event):
315	"""
316	Make new model
317	"""
318	if self.new_model_frame is not None:
319	self.new_model_frame.Show(False)
320	self.new_model_frame.Show(True)
321	else:
322	event_id = event.GetId()
323	dir_path = models.find_plugins_dir()
324	title = "New Plugin Model Function"
325	self.new_model_frame = EditorWindow(parent=self, base=self,
326	path=dir_path, title=title)
327	self.put_icon(self.new_model_frame)
328	self.new_model_frame.Show(True)
329
330	def load_plugin_models(self, event):
331	"""
332	Update of models in plugin_models folder
333	"""
334	event_id = event.GetId()
335	self.update_custom_combo()
336
337	def update_custom_combo(self):
338	"""
339	Update custom model list in the fitpage combo box
340	"""
341	try:
342	# Update edit menus
343	self.set_edit_menu_helper(self.parent, self.edit_custom_model)
344	self.set_edit_menu_helper(self.parent, self.delete_custom_model)
345	new_pmodel_list = self.fit_panel.reset_pmodel_list()
346	if not new_pmodel_list:
347	return
348
349	# Redraws to a page not in focus are showing up as if they are
350	# in the current page tab.
351	current_page_index = self.fit_panel.GetSelection()
352	current_page = self.fit_panel.GetCurrentPage()
353	last_drawn_page = current_page
354
355	# Set the new plugin model list for all fit pages; anticipating
356	# categories, the updated plugin may be in either the form factor
357	# or the structure factor combo boxes
358	for uid, page in self.fit_panel.opened_pages.items():
359	pbox = getattr(page, "formfactorbox", None)
360	sbox = getattr(page, "structurebox", None)
361	if pbox is None:
362	continue
363
364	# Set the new model list for the page
365	page.model_list_box = new_pmodel_list
366
367	# Grab names of the P and S models from the page. Need to do
368	# this before resetting the form factor box since that clears
369	# the structure factor box.
370	old_struct = old_form = None
371	form_name = pbox.GetValue()
372	struct_name = sbox.GetStringSelection()
373	if form_name:
374	old_form = pbox.GetClientData(pbox.GetCurrentSelection())
375	if struct_name:
376	old_struct = sbox.GetClientData(sbox.GetCurrentSelection())
377
378	# Reset form factor combo box. We are doing this for all
379	# categories not just plugins since eventually the category
380	# manager will allow plugin models to be anywhere.
381	page._show_combox_helper()
382	form_index = pbox.FindString(form_name)
383	pbox.SetSelection(form_index)
384	new_form = (pbox.GetClientData(form_index)
385	if form_index != wx.NOT_FOUND else None)
386	#print("form: %r"%form_name, old_form, new_form)
387
388	# Reset structure factor combo box; even if the model list
389	# hasn't changed, the model may have. Show the structure
390	# factor combobox if the selected model is a form factor.
391	sbox.Clear()
392	page.initialize_combox()
393	if new_form is not None and getattr(new_form, 'is_form_factor', False):
394	sbox.Show()
395	sbox.Enable()
396	page.text2.Show()
397	page.text2.Enable()
398	struct_index = sbox.FindString(struct_name)
399	sbox.SetSelection(struct_index)
400	new_struct = (sbox.GetClientData(struct_index)
401	if struct_index != wx.NOT_FOUND else None)
402	#print("struct: %r"%struct_name, old_struct, new_struct)
403
404	# Update the page if P or S has changed
405	if old_form != new_form or old_struct != new_struct:
406	#print("triggering model update")
407	page._on_select_model(keep_pars=True)
408	last_drawn_page = page
409
410	# If last drawn is not the current, then switch the current to the
411	# last drawn then switch back. Very ugly.
412	if last_drawn_page != current_page:
413	for page_index in range(self.fit_panel.PageCount):
414	if self.fit_panel.GetPage(page_index) == last_drawn_page:
415	self.fit_panel.SetSelection(page_index)
416	break
417	self.fit_panel.SetSelection(current_page_index)
418
419	except Exception as exc:
420	logger.error("update_custom_combo: %s", exc)
421
422	def set_edit_menu(self, owner):
423	"""
424	Set list of the edit model menu labels
425	"""
426	wx_id = wx.NewId()
427	#new_model_menu = wx.Menu()
428	self.edit_model_menu.Append(wx_id, 'New Plugin Model',
429	'Add a new model function')
430	wx.EVT_MENU(owner, wx_id, self.make_new_model)
431
432	wx_id = wx.NewId()
433	self.edit_model_menu.Append(wx_id, 'Sum\|Multi(p1, p2)',
434	'Sum of two model functions')
435	wx.EVT_MENU(owner, wx_id, self.make_sum_model)
436
437	e_id = wx.NewId()
438	self.edit_menu = wx.Menu()
439	self.edit_model_menu.AppendMenu(e_id,
440	'Advanced Plugin Editor', self.edit_menu)
441	self.set_edit_menu_helper(owner, self.edit_custom_model)
442
443	d_id = wx.NewId()
444	self.delete_menu = wx.Menu()
445	self.edit_model_menu.AppendMenu(d_id,
446	'Delete Plugin Models', self.delete_menu)
447	self.set_edit_menu_helper(owner, self.delete_custom_model)
448
449	wx_id = wx.NewId()
450	self.edit_model_menu.Append(wx_id, 'Load Plugin Models',
451	'(Re)Load all models present in user plugin_models folder')
452	wx.EVT_MENU(owner, wx_id, self.load_plugin_models)
453
454	def set_edit_menu_helper(self, owner=None, menu=None):
455	"""
456	help for setting list of the edit model menu labels
457	"""
458	if menu is None:
459	menu = self.edit_custom_model
460	list_fnames = os.listdir(models.find_plugins_dir())
461	list_fnames.sort()
462	for f_item in list_fnames:
463	name = os.path.basename(f_item)
464	toks = os.path.splitext(name)
465	if toks[-1] == '.py' and not toks[0] == '__init__':
466	if menu == self.edit_custom_model:
467	if toks[0] == 'easy_sum_of_p1_p2':
468	continue
469	submenu = self.edit_menu
470	else:
471	submenu = self.delete_menu
472	has_file = False
473	for item in submenu.GetMenuItems():
474	if name == submenu.GetLabel(item.GetId()):
475	has_file = True
476	if not has_file:
477	wx_id = wx.NewId()
478	submenu.Append(wx_id, name)
479	wx.EVT_MENU(owner, wx_id, menu)
480	has_file = False
481
482	def put_icon(self, frame):
483	"""
484	Put icon in the frame title bar
485	"""
486	if hasattr(frame, "IsIconized"):
487	if not frame.IsIconized():
488	try:
489	icon = self.parent.GetIcon()
490	frame.SetIcon(icon)
491	except:
492	pass
493
494	def on_add_sim_page(self, event):
495	"""
496	Create a page to access simultaneous fit option
497	"""
498	event_id = event.GetId()
499	caption = "Const & Simul Fit"
500	page = self.sim_page
501	if event_id == self.id_batchfit:
502	caption = "Combined Batch"
503	page = self.batch_page
504
505	def set_focus_page(page):
506	page.Show(True)
507	page.Refresh()
508	page.SetFocus()
509	#self.parent._mgr.Update()
510	msg = "%s already opened\n" % str(page.window_caption)
511	wx.PostEvent(self.parent, StatusEvent(status=msg))
512
513	if page is not None:
514	return set_focus_page(page)
515	if caption == "Const & Simul Fit":
516	self.sim_page = self.fit_panel.add_sim_page(caption=caption)
517	else:
518	self.batch_page = self.fit_panel.add_sim_page(caption=caption)
519
520	def get_context_menu(self, plotpanel=None):
521	"""
522	Get the context menu items available for P(r).them allow fitting option
523	for Data2D and Data1D only.
524
525	:param graph: the Graph object to which we attach the context menu
526
527	:return: a list of menu items with call-back function
528
529	:note: if Data1D was generated from Theory1D
530	the fitting option is not allowed
531
532	"""
533	self.plot_panel = plotpanel
534	graph = plotpanel.graph
535	fit_option = "Select data for fitting"
536	fit_hint = "Dialog with fitting parameters "
537
538	if graph.selected_plottable not in plotpanel.plots:
539	return []
540	item = plotpanel.plots[graph.selected_plottable]
541	if item.__class__.__name__ is "Data2D":
542	if hasattr(item, "is_data"):
543	if item.is_data:
544	return [[fit_option, fit_hint, self._onSelect]]
545	else:
546	return []
547	return [[fit_option, fit_hint, self._onSelect]]
548	else:
549
550	# if is_data is true , this in an actual data loaded
551	#else it is a data created from a theory model
552	if hasattr(item, "is_data"):
553	if item.is_data:
554	return [[fit_option, fit_hint, self._onSelect]]
555	else:
556	return []
557	return [[fit_option, fit_hint, self._onSelect]]
558	return []
559
560	def get_panels(self, parent):
561	"""
562	Create and return a list of panel objects
563	"""
564	self.parent = parent
565	#self.parent.Bind(EVT_FITSTATE_UPDATE, self.on_set_state_helper)
566	# Creation of the fit panel
567	self.frame = MDIFrame(self.parent, None, 'None', (100, 200))
568	self.fit_panel = FitPanel(parent=self.frame, manager=self)
569	self.frame.set_panel(self.fit_panel)
570	self._frame_set_helper()
571	self.on_add_new_page(event=None)
572	#Set the manager for the main panel
573	self.fit_panel.set_manager(self)
574	# List of windows used for the perspective
575	self.perspective = []
576	self.perspective.append(self.fit_panel.window_name)
577
578	self.result_frame = MDIFrame(self.parent, None, ResultPanel.window_caption, (220, 200))
579	self.result_panel = ResultPanel(parent=self.result_frame, manager=self)
580	self.perspective.append(self.result_panel.window_name)
581
582	#index number to create random model name
583	self.index_model = 0
584	self.index_theory = 0
585	self.parent.Bind(EVT_SLICER_PANEL, self._on_slicer_event)
586	self.parent.Bind(EVT_SLICER_PARS_UPDATE, self._onEVT_SLICER_PANEL)
587
588	# CRUFT: EVT_FITTER_CHANGED is not None for bumps 0.7.5.9 and above
589	if EVT_FITTER_CHANGED is not None:
590	self.parent.Bind(EVT_FITTER_CHANGED, self.on_fitter_changed)
591	self._set_fitter_label(bumps.options.FIT_CONFIG)
592
593	#self.parent._mgr.Bind(wx.aui.EVT_AUI_PANE_CLOSE,self._onclearslicer)
594	#Create reader when fitting panel are created
595	self.state_reader = Reader(self.set_state)
596	#append that reader to list of available reader
597	loader = Loader()
598	loader.associate_file_reader(".fitv", self.state_reader)
599	#Send the fitting panel to guiframe
600	self.mypanels.append(self.fit_panel)
601	self.mypanels.append(self.result_panel)
602	return self.mypanels
603
604	def clear_panel(self):
605	"""
606	"""
607	self.fit_panel.clear_panel()
608
609	def delete_data(self, data):
610	"""
611	delete the given data from panel
612	"""
613	self.fit_panel.delete_data(data)
614
615	def set_data(self, data_list=None):
616	"""
617	receive a list of data to fit
618	"""
619	if data_list is None:
620	data_list = []
621	selected_data_list = []
622	if self.batch_on:
623	self.add_fit_page(data=data_list)
624	else:
625	if len(data_list) > MAX_NBR_DATA:
626	dlg = DataDialog(data_list=data_list, nb_data=MAX_NBR_DATA)
627	if dlg.ShowModal() == wx.ID_OK:
628	selected_data_list = dlg.get_data()
629	dlg.Destroy()
630
631	else:
632	selected_data_list = data_list
633	try:
634	group_id = wx.NewId()
635	for data in selected_data_list:
636	if data is not None:
637	# 2D has no same group_id
638	if data.__class__.__name__ == 'Data2D':
639	group_id = wx.NewId()
640	data.group_id = group_id
641	if group_id not in data.list_group_id:
642	data.list_group_id.append(group_id)
643	self.add_fit_page(data=[data])
644	except Exception as exc:
645	msg = "Fitting set_data: " + str(exc)
646	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
647
648	def set_theory(self, theory_list=None):
649	"""
650	"""
651	#set the model state for a given theory_state:
652	for item in theory_list:
653	try:
654	_, theory_state = item
655	self.fit_panel.set_model_state(theory_state)
656	except Exception as exc:
657	msg = "Fitting: cannot deal with the theory received"
658	evt = StatusEvent(status=msg, info="error")
659	logger.error("set_theory " + msg + "\n" + str(exc))
660	wx.PostEvent(self.parent, evt)
661
662	def set_state(self, state=None, datainfo=None, format=None):
663	"""
664	Call-back method for the fit page state reader.
665	This method is called when a .fitv/.svs file is loaded.
666
667	: param state: PageState object
668	: param datainfo: data
669	"""
670	if isinstance(state, PageState):
671	state = state.clone()
672	self.temp_state.append(state)
673	elif isinstance(state, SimFitPageState):
674	if self.fit_panel.sim_page is None:
675	self.fit_panel.add_sim_page()
676	self.fit_panel.sim_page.load_from_save_state(state)
677	else:
678	self.temp_state = []
679	# index to start with for a new set_state
680	self.state_index = 0
681	# state file format
682	self.sfile_ext = format
683
684	self.on_set_state_helper(event=None)
685
686	def on_set_state_helper(self, event=None):
687	"""
688	Set_state_helper. This actually sets state
689	after plotting data from state file.
690
691	: event: FitStateUpdateEvent called
692	by dataloader.plot_data from guiframe
693	"""
694	if len(self.temp_state) == 0:
695	if self.state_index == 0 and len(self.mypanels) <= 0 \
696	and self.sfile_ext == '.svs':
697	self.temp_state = []
698	self.state_index = 0
699	return
700
701	try:
702	# Load fitting state
703	state = self.temp_state[self.state_index]
704	#panel state should have model selection to set_state
705	if state.formfactorcombobox is not None:
706	#set state
707	data = self.parent.create_gui_data(state.data)
708	data.group_id = state.data.group_id
709	self.parent.add_data(data_list={data.id: data})
710	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
711	title=data.title))
712	#need to be fix later make sure we are sendind guiframe.data
713	#to panel
714	state.data = data
715	page = self.fit_panel.set_state(state)
716	else:
717	#just set data because set_state won't work
718	data = self.parent.create_gui_data(state.data)
719	data.group_id = state.data.group_id
720	self.parent.add_data(data_list={data.id: data})
721	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
722	title=data.title))
723	page = self.add_fit_page([data])
724	caption = page.window_caption
725	self.store_data(uid=page.uid, data_list=page.get_data_list(),
726	caption=caption)
727	self.mypanels.append(page)
728
729	# get ready for the next set_state
730	self.state_index += 1
731
732	#reset state variables to default when all set_state is finished.
733	if len(self.temp_state) == self.state_index:
734
735	self.temp_state = []
736	#self.state_index = 0
737	# Make sure the user sees the fitting panel after loading
738	#self.parent.set_perspective(self.perspective)
739	self.on_perspective(event=None)
740	except:
741	self.state_index = 0
742	self.temp_state = []
743	raise
744
745	def set_param2fit(self, uid, param2fit):
746	"""
747	Set the list of param names to fit for fitprobelm
748	"""
749	self.page_finder[uid].set_param2fit(param2fit)
750
751	def set_graph_id(self, uid, graph_id):
752	"""
753	Set graph_id for fitprobelm
754	"""
755	self.page_finder[uid].set_graph_id(graph_id)
756
757	def get_graph_id(self, uid):
758	"""
759	Set graph_id for fitprobelm
760	"""
761	return self.page_finder[uid].get_graph_id()
762
763	def save_fit_state(self, filepath, fitstate):
764	"""
765	save fit page state into file
766	"""
767	self.state_reader.write(filename=filepath, fitstate=fitstate)
768
769	def set_fit_weight(self, uid, flag, is2d=False, fid=None):
770	"""
771	Set the fit weights of a given page for all
772	its data by default. If fid is provide then set the range
773	only for the data with fid as id
774	:param uid: id corresponding to a fit page
775	:param fid: id corresponding to a fit problem (data, model)
776	:param weight: current dy data
777	"""
778	# Note: this is used to set the data weights for the fit based on
779	# the weight selection in the GUI.
780	if uid in self.page_finder:
781	self.page_finder[uid].set_weight(flag=flag, is2d=is2d)
782
783	def set_fit_range(self, uid, qmin, qmax, fid=None):
784	"""
785	Set the fitting range of a given page for all
786	its data by default. If fid is provide then set the range
787	only for the data with fid as id
788	:param uid: id corresponding to a fit page
789	:param fid: id corresponding to a fit problem (data, model)
790	:param qmin: minimum value of the fit range
791	:param qmax: maximum value of the fit range
792	"""
793	if uid in self.page_finder:
794	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax, fid=fid)
795
796	def schedule_for_fit(self, value=0, uid=None):
797	"""
798	Set the fit problem field to 0 or 1 to schedule that problem to fit.
799	Schedule the specified fitproblem or get the fit problem related to
800	the current page and set value.
801	:param value: integer 0 or 1
802	:param uid: the id related to a page containing fitting information
803	"""
804	if uid in self.page_finder:
805	self.page_finder[uid].schedule_tofit(value)
806
807	def get_page_finder(self):
808	"""
809	return self.page_finder used also by simfitpage.py
810	"""
811	return self.page_finder
812
813	def set_page_finder(self, modelname, names, values):
814	"""
815	Used by simfitpage.py to reset a parameter given the string constrainst.
816
817	:param modelname: the name of the model for with the parameter
818	has to reset
819	:param value: can be a string in this case.
820	:param names: the parameter name
821	"""
822	sim_page_id = self.sim_page.uid
823	for uid, value in self.page_finder.items():
824	if uid != sim_page_id and uid != self.batch_page.uid:
825	model_list = value.get_model()
826	model = model_list[0]
827	if model.name == modelname:
828	value.set_model_param(names, values)
829	break
830
831	def split_string(self, item):
832	"""
833	receive a word containing dot and split it. used to split parameterset
834	name into model name and parameter name example: ::
835
836	parameterset (item) = M1.A
837	Will return model_name = M1 , parameter name = A
838
839	"""
840	if item.find(".") >= 0:
841	param_names = re.split(r"\.", item)
842	model_name = param_names[0]
843	##Assume max len is 3; eg., M0.radius.width
844	if len(param_names) == 3:
845	param_name = param_names[1] + "." + param_names[2]
846	else:
847	param_name = param_names[1]
848	return model_name, param_name
849
850	def on_bumps_options(self, event=None):
851	"""
852	Open the bumps options panel.
853	"""
854	show_fit_config(self.parent, help=self.on_help)
855
856	def on_fitter_changed(self, event):
857	self._set_fitter_label(event.config)
858
859	def _set_fitter_label(self, config):
860	self.fit_panel.parent.SetTitle(self.fit_panel.window_name
861	+ " - Active Fitting Optimizer: "
862	+ config.selected_name)
863
864	def on_help(self, algorithm_id):
865	_TreeLocation = "user/sasgui/perspectives/fitting/optimizer.html"
866	_anchor = "#fit-"+algorithm_id
867	DocumentationWindow(self.parent, wx.ID_ANY, _TreeLocation, _anchor, "Optimizer Help")
868
869
870	def on_fit_results(self, event=None):
871	"""
872	Make the Fit Results panel visible.
873	"""
874	self.result_frame.Show()
875	self.result_frame.Raise()
876
877	def on_gpu_options(self, event=None):
878	"""
879	Make the Fit Results panel visible.
880	"""
881	dialog = GpuOptions(None, wx.ID_ANY, "")
882	dialog.Show()
883
884	def stop_fit(self, uid):
885	"""
886	Stop the fit
887	"""
888	if uid in self.fit_thread_list:
889	calc_fit = self.fit_thread_list[uid]
890	if calc_fit is not None and calc_fit.isrunning():
891	calc_fit.stop()
892	msg = "Fit stop!"
893	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
894	del self.fit_thread_list[uid]
895	#set the fit button label of page when fit stop is trigger from
896	#simultaneous fit pane
897	sim_flag = self.sim_page is not None and uid == self.sim_page.uid
898	batch_flag = self.batch_page is not None and uid == self.batch_page.uid
899	if sim_flag or batch_flag:
900	for uid, value in self.page_finder.items():
901	if value.get_scheduled() == 1:
902	if uid in self.fit_panel.opened_pages:
903	panel = self.fit_panel.opened_pages[uid]
904	panel._on_fit_complete()
905
906	def set_smearer(self, uid, smearer, fid, qmin=None, qmax=None, draw=True,
907	enable_smearer=False):
908	"""
909	Get a smear object and store it to a fit problem of fid as id. If proper
910	flag is enable , will plot the theory with smearing information.
911
912	:param smearer: smear object to allow smearing data of id fid
913	:param enable_smearer: Define whether or not all (data, model) contained
914	in the structure of id uid will be smeared before fitting.
915	:param qmin: the maximum value of the theory plotting range
916	:param qmax: the maximum value of the theory plotting range
917	:param draw: Determine if the theory needs to be plot
918	"""
919	if uid not in self.page_finder:
920	return
921	self.page_finder[uid].enable_smearing(flag=enable_smearer)
922	self.page_finder[uid].set_smearer(smearer, fid=fid)
923	if draw:
924	## draw model 1D with smeared data
925	data = self.page_finder[uid].get_fit_data(fid=fid)
926	if data is None:
927	msg = "set_mearer requires at least data.\n"
928	msg += "Got data = %s .\n" % str(data)
929	return
930	#raise ValueError(msg)
931	model = self.page_finder[uid].get_model(fid=fid)
932	if model is None:
933	return
934	enable1D = issubclass(data.__class__, Data1D)
935	enable2D = issubclass(data.__class__, Data2D)
936	## if user has already selected a model to plot
937	## redraw the model with data smeared
938	smear = self.page_finder[uid].get_smearer(fid=fid)
939
940	# compute weight for the current data
941	weight = self.page_finder[uid].get_weight(fid=fid)
942
943	self.draw_model(model=model, data=data, page_id=uid, smearer=smear,
944	enable1D=enable1D, enable2D=enable2D,
945	qmin=qmin, qmax=qmax, weight=weight)
946
947	def draw_model(self, model, page_id, data=None, smearer=None,
948	enable1D=True, enable2D=False,
949	state=None,
950	fid=None,
951	toggle_mode_on=False,
952	qmin=None, qmax=None,
953	update_chisqr=True, weight=None, source='model'):
954	"""
955	Draw model.
956
957	:param model: the model to draw
958	:param name: the name of the model to draw
959	:param data: the data on which the model is based to be drawn
960	:param description: model's description
961	:param enable1D: if true enable drawing model 1D
962	:param enable2D: if true enable drawing model 2D
963	:param qmin: Range's minimum value to draw model
964	:param qmax: Range's maximum value to draw model
965	:param qstep: number of step to divide the x and y-axis
966	:param update_chisqr: update chisqr [bool]
967
968	"""
969	#self.weight = weight
970	if issubclass(data.__class__, Data1D) or not enable2D:
971	## draw model 1D with no loaded data
972	self._draw_model1D(model=model,
973	data=data,
974	page_id=page_id,
975	enable1D=enable1D,
976	smearer=smearer,
977	qmin=qmin,
978	qmax=qmax,
979	fid=fid,
980	weight=weight,
981	toggle_mode_on=toggle_mode_on,
982	state=state,
983	update_chisqr=update_chisqr,
984	source=source)
985	else:
986	## draw model 2D with no initial data
987	self._draw_model2D(model=model,
988	page_id=page_id,
989	data=data,
990	enable2D=enable2D,
991	smearer=smearer,
992	qmin=qmin,
993	qmax=qmax,
994	fid=fid,
995	weight=weight,
996	state=state,
997	toggle_mode_on=toggle_mode_on,
998	update_chisqr=update_chisqr,
999	source=source)
1000
1001	def onFit(self, uid):
1002	"""
1003	Get series of data, model, associates parameters and range and send then
1004	to series of fitters. Fit data and model, display result to
1005	corresponding panels.
1006	:param uid: id related to the panel currently calling this fit function.
1007	"""
1008	if uid is None:
1009	raise RuntimeError("no page to fit") # Should never happen
1010
1011	sim_page_uid = getattr(self.sim_page, 'uid', None)
1012	batch_page_uid = getattr(self.batch_page, 'uid', None)
1013
1014	if uid == sim_page_uid:
1015	fit_type = 'simultaneous'
1016	elif uid == batch_page_uid:
1017	fit_type = 'combined_batch'
1018	else:
1019	fit_type = 'single'
1020
1021	fitter_list = []
1022	sim_fitter = None
1023	if fit_type == 'simultaneous':
1024	# for simultaneous fitting only one fitter is needed
1025	sim_fitter = Fit()
1026	sim_fitter.fitter_id = self.sim_page.uid
1027	fitter_list.append(sim_fitter)
1028
1029	self.current_pg = None
1030	list_page_id = []
1031	fit_id = 0
1032	for page_id, page_info in self.page_finder.items():
1033	# For simulfit (uid give with None), do for-loop
1034	# if uid is specified (singlefit), do it only on the page.
1035	if page_id in (sim_page_uid, batch_page_uid): continue
1036	if fit_type == "single" and page_id != uid: continue
1037
1038	try:
1039	if page_info.get_scheduled() == 1:
1040	page_info.nbr_residuals_computed = 0
1041	page = self.fit_panel.get_page_by_id(page_id)
1042	self.set_fit_weight(uid=page.uid,
1043	flag=page.get_weight_flag(),
1044	is2d=page._is_2D())
1045	if not page.param_toFit:
1046	msg = "No fitting parameters for %s" % page.window_caption
1047	evt = StatusEvent(status=msg, info="error", type="stop")
1048	wx.PostEvent(page.parent.parent, evt)
1049	return False
1050	if not page._update_paramv_on_fit():
1051	msg = "Fitting range or parameter values are"
1052	msg += " invalid in %s" % \
1053	page.window_caption
1054	evt = StatusEvent(status=msg, info="error", type="stop")
1055	wx.PostEvent(page.parent.parent, evt)
1056	return False
1057
1058	pars = [str(element[1]) for element in page.param_toFit]
1059	for fitproblem in page_info.values():
1060	if sim_fitter is None:
1061	fitter = Fit()
1062	fitter.fitter_id = page_id
1063	fitter_list.append(fitter)
1064	else:
1065	fitter = sim_fitter
1066	self._add_problem_to_fit(fitproblem=fitproblem,
1067	pars=pars,
1068	fitter=fitter,
1069	fit_id=fit_id)
1070	fit_id += 1
1071	list_page_id.append(page_id)
1072	page_info.clear_model_param()
1073	except KeyboardInterrupt:
1074	msg = "Fitting terminated"
1075	evt = StatusEvent(status=msg, info="info", type="stop")
1076	wx.PostEvent(self.parent, evt)
1077	return True
1078	except Exception as exc:
1079	raise
1080	msg = "Fitting error: %s" % exc
1081	evt = StatusEvent(status=msg, info="error", type="stop")
1082	wx.PostEvent(self.parent, evt)
1083	return False
1084	## If a thread is already started, stop it
1085	#if self.calc_fitis not None and self.calc_fit.isrunning():
1086	# self.calc_fit.stop()
1087	msg = "Fitting is in progress..."
1088	wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
1089
1090	#Handler used to display fit message
1091	handler = ConsoleUpdate(parent=self.parent,
1092	manager=self,
1093	improvement_delta=0.1)
1094
1095	# batch fit
1096	batch_inputs = {}
1097	batch_outputs = {}
1098	if fit_type == "simultaneous":
1099	page = self.sim_page
1100	elif fit_type == "combined_batch":
1101	page = self.batch_page
1102	else:
1103	page = self.fit_panel.get_page_by_id(uid)
1104	if page.batch_on:
1105	calc_fit = FitThread(handler=handler,
1106	fn=fitter_list,
1107	pars=pars,
1108	batch_inputs=batch_inputs,
1109	batch_outputs=batch_outputs,
1110	page_id=list_page_id,
1111	completefn=self._batch_fit_complete,
1112	reset_flag=self.batch_reset_flag)
1113	else:
1114	## Perform more than 1 fit at the time
1115	calc_fit = FitThread(handler=handler,
1116	fn=fitter_list,
1117	batch_inputs=batch_inputs,
1118	batch_outputs=batch_outputs,
1119	page_id=list_page_id,
1120	updatefn=handler.update_fit,
1121	completefn=self._fit_completed)
1122	#self.fit_thread_list[current_page_id] = calc_fit
1123	self.fit_thread_list[uid] = calc_fit
1124	calc_fit.queue()
1125	calc_fit.ready(2.5)
1126	msg = "Fitting is in progress..."
1127	wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
1128
1129	return True
1130
1131	def remove_plot(self, uid, fid=None, theory=False):
1132	"""
1133	remove model plot when a fit page is closed
1134	:param uid: the id related to the fitpage to close
1135	:param fid: the id of the fitproblem(data, model, range,etc)
1136	"""
1137	if uid not in self.page_finder:
1138	return
1139	fitproblemList = self.page_finder[uid].get_fit_problem(fid)
1140	for fitproblem in fitproblemList:
1141	data = fitproblem.get_fit_data()
1142	model = fitproblem.get_model()
1143	plot_id = None
1144	if model is not None:
1145	plot_id = data.id + model.name
1146	if theory:
1147	plot_id = data.id + model.name
1148	group_id = data.group_id
1149	wx.PostEvent(self.parent, NewPlotEvent(id=plot_id,
1150	group_id=group_id,
1151	action='remove'))
1152
1153	def store_data(self, uid, data_list=None, caption=None):
1154	"""
1155	Receive a list of data and store them ans well as a caption of
1156	the fit page where they come from.
1157	:param uid: if related to a fit page
1158	:param data_list: list of data to fit
1159	:param caption: caption of the window related to these data
1160	"""
1161	if data_list is None:
1162	data_list = []
1163
1164	self.page_finder[uid].set_fit_data(data=data_list)
1165	if caption is not None:
1166	self.page_finder[uid].set_fit_tab_caption(caption=caption)
1167
1168	def on_add_new_page(self, event=None):
1169	"""
1170	ask fit panel to create a new empty page
1171	"""
1172	try:
1173	page = self.fit_panel.add_empty_page()
1174	# add data associated to the page created
1175	if page is not None:
1176	evt = StatusEvent(status="Page Created", info="info")
1177	wx.PostEvent(self.parent, evt)
1178	else:
1179	msg = "Page was already Created"
1180	evt = StatusEvent(status=msg, info="warning")
1181	wx.PostEvent(self.parent, evt)
1182	except Exception as exc:
1183	msg = "Creating Fit page: %s" % exc
1184	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
1185
1186	def add_fit_page(self, data):
1187	"""
1188	given a data, ask to the fitting panel to create a new fitting page,
1189	get this page and store it into the page_finder of this plug-in
1190	:param data: is a list of data
1191	"""
1192	page = self.fit_panel.set_data(data)
1193	# page could be None when loading state files
1194	if page is None:
1195	return page
1196	#append Data1D to the panel containing its theory
1197	#if theory already plotted
1198	if page.uid in self.page_finder:
1199	data = page.get_data()
1200	theory_data = self.page_finder[page.uid].get_theory_data(data.id)
1201	if issubclass(data.__class__, Data2D):
1202	data.group_id = wx.NewId()
1203	if theory_data is not None:
1204	group_id = str(page.uid) + " Model1D"
1205	wx.PostEvent(self.parent,
1206	NewPlotEvent(group_id=group_id,
1207	action="delete"))
1208	self.parent.update_data(prev_data=theory_data,
1209	new_data=data)
1210	else:
1211	if theory_data is not None:
1212	group_id = str(page.uid) + " Model2D"
1213	data.group_id = theory_data.group_id
1214	wx.PostEvent(self.parent,
1215	NewPlotEvent(group_id=group_id,
1216	action="delete"))
1217	self.parent.update_data(prev_data=theory_data,
1218	new_data=data)
1219	self.store_data(uid=page.uid, data_list=page.get_data_list(),
1220	caption=page.window_caption)
1221	if self.sim_page is not None and not self.batch_on:
1222	self.sim_page.draw_page()
1223	if self.batch_page is not None and self.batch_on:
1224	self.batch_page.draw_page()
1225
1226	return page
1227
1228	def _onEVT_SLICER_PANEL(self, event):
1229	"""
1230	receive and event telling to update a panel with a name starting with
1231	event.panel_name. this method update slicer panel
1232	for a given interactor.
1233
1234	:param event: contains type of slicer , parameters for updating
1235	the panel and panel_name to find the slicer 's panel concerned.
1236	"""
1237	event.panel_name
1238	for item in self.parent.panels:
1239	name = event.panel_name
1240	if self.parent.panels[item].window_caption.startswith(name):
1241	self.parent.panels[item].set_slicer(event.type, event.params)
1242
1243	#self.parent._mgr.Update()
1244
1245	def _closed_fitpage(self, event):
1246	"""
1247	request fitpanel to close a given page when its unique data is removed
1248	from the plot. close fitpage only when the a loaded data is removed
1249	"""
1250	if event is None or event.data is None:
1251	return
1252	if hasattr(event.data, "is_data"):
1253	if not event.data.is_data or \
1254	event.data.__class__.__name__ == "Data1D":
1255	self.fit_panel.close_page_with_data(event.data)
1256
1257	def _reset_schedule_problem(self, value=0, uid=None):
1258	"""
1259	unschedule or schedule all fitproblem to be fit
1260	"""
1261	# case that uid is not specified
1262	if uid is None:
1263	for page_id in self.page_finder:
1264	self.page_finder[page_id].schedule_tofit(value)
1265	# when uid is given
1266	else:
1267	if uid in self.page_finder:
1268	self.page_finder[uid].schedule_tofit(value)
1269
1270	def _add_problem_to_fit(self, fitproblem, pars, fitter, fit_id):
1271	"""
1272	Create and set fitter with series of data and model
1273	"""
1274	data = fitproblem.get_fit_data()
1275	model = fitproblem.get_model()
1276	smearer = fitproblem.get_smearer()
1277	qmin, qmax = fitproblem.get_range()
1278
1279	#Extra list of parameters and their constraints
1280	listOfConstraint = []
1281	param = fitproblem.get_model_param()
1282	if len(param) > 0:
1283	for item in param:
1284	## check if constraint
1285	if item[0] is not None and item[1] is not None:
1286	listOfConstraint.append((item[0], item[1]))
1287	new_model = model
1288	fitter.set_model(new_model, fit_id, pars, data=data,
1289	constraints=listOfConstraint)
1290	fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
1291	qmax=qmax)
1292	fitter.select_problem_for_fit(id=fit_id, value=1)
1293
1294	def _onSelect(self, event):
1295	"""
1296	when Select data to fit a new page is created .Its reference is
1297	added to self.page_finder
1298	"""
1299	panel = self.plot_panel
1300	if panel is None:
1301	raise ValueError("Fitting:_onSelect: NonType panel")
1302	Plugin.on_perspective(self, event=event)
1303	self.select_data(panel)
1304
1305	def select_data(self, panel):
1306	"""
1307	"""
1308	for plottable in panel.graph.plottables:
1309	if plottable.__class__.__name__ in ["Data1D", "Theory1D"]:
1310	data_id = panel.graph.selected_plottable
1311	if plottable == panel.plots[data_id]:
1312	data = plottable
1313	self.add_fit_page(data=[data])
1314	return
1315	else:
1316	data = plottable
1317	self.add_fit_page(data=[data])
1318
1319	def update_fit(self, result=None, msg=""):
1320	"""
1321	"""
1322	print("update_fit result", result)
1323
1324	def _batch_fit_complete(self, result, pars, page_id,
1325	batch_outputs, batch_inputs, elapsed=None):
1326	"""
1327	Display fit result in batch
1328	:param result: list of objects received from fitters
1329	:param pars: list of fitted parameters names
1330	:param page_id: list of page ids which called fit function
1331	:param elapsed: time spent at the fitting level
1332	"""
1333	uid = page_id[0]
1334	if uid in self.fit_thread_list:
1335	del self.fit_thread_list[uid]
1336
1337	wx.CallAfter(self._update_fit_button, page_id)
1338	t1 = time.time()
1339	str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
1340	msg = "Fit completed on %s \n" % str_time
1341	msg += "Duration time: %s s.\n" % str(elapsed)
1342	evt = StatusEvent(status=msg, info="info", type="stop")
1343	wx.PostEvent(self.parent, evt)
1344
1345	if batch_outputs is None:
1346	batch_outputs = {}
1347
1348	# format batch_outputs
1349	batch_outputs["Chi2"] = []
1350	#Don't like these loops
1351	# Need to create dictionary of all fitted parameters
1352	# since the number of parameters can differ between each fit result
1353	for list_res in result:
1354	for res in list_res:
1355	model, data = res.inputs[0]
1356	if model is not None and hasattr(model, "model"):
1357	model = model.model
1358	#get all fittable parameters of the current model
1359	for param in model.getParamList():
1360	if param not in batch_outputs:
1361	batch_outputs[param] = []
1362	for param in model.getDispParamList():
1363	if not model.is_fittable(param) and \
1364	param in batch_outputs:
1365	del batch_outputs[param]
1366	# Add fitted parameters and their error
1367	for param in res.param_list:
1368	if param not in batch_outputs:
1369	batch_outputs[param] = []
1370	err_param = "error on %s" % str(param)
1371	if err_param not in batch_inputs:
1372	batch_inputs[err_param] = []
1373	msg = ""
1374	for list_res in result:
1375	for res in list_res:
1376	pid = res.fitter_id
1377	model, data = res.inputs[0]
1378	correct_result = False
1379	if model is not None and hasattr(model, "model"):
1380	model = model.model
1381	if data is not None and hasattr(data, "sas_data"):
1382	data = data.sas_data
1383
1384	is_data2d = issubclass(data.__class__, Data2D)
1385	# Check consistency of arrays
1386	if not is_data2d:
1387	if len(res.theory) == len(res.index[res.index]) and \
1388	len(res.index) == len(data.y):
1389	correct_result = True
1390	else:
1391	copy_data = deepcopy(data)
1392	new_theory = copy_data.data
1393	new_theory[res.index] = res.theory
1394	new_theory[res.index == False] = np.nan
1395	correct_result = True
1396	# Get all fittable parameters of the current model
1397	param_list = model.getParamList()
1398	for param in model.getDispParamList():
1399	if '.' in param and param in param_list:
1400	# Ensure polydispersity results are displayed
1401	p1, p2 = param.split('.')
1402	if not model.is_fittable(p1) and not (p2 == 'width' and param in res.param_list)\
1403	and param in param_list:
1404	param_list.remove(param)
1405	elif not model.is_fittable(param) and \
1406	param in param_list:
1407	param_list.remove(param)
1408	if not correct_result or res.fitness is None or \
1409	not np.isfinite(res.fitness) or \
1410	np.any(res.pvec is None) or not \
1411	np.all(np.isfinite(res.pvec)):
1412	data_name = str(None)
1413	if data is not None:
1414	data_name = str(data.name)
1415	model_name = str(None)
1416	if model is not None:
1417	model_name = str(model.name)
1418	msg += "Data %s and Model %s did not fit.\n" % (data_name,
1419	model_name)
1420	ERROR = np.NAN
1421	cell = BatchCell()
1422	cell.label = res.fitness
1423	cell.value = res.fitness
1424	batch_outputs["Chi2"].append(ERROR)
1425	for param in param_list:
1426	# Save value of fixed parameters
1427	if param not in res.param_list:
1428	batch_outputs[str(param)].append(ERROR)
1429	else:
1430	# Save only fitted values
1431	batch_outputs[param].append(ERROR)
1432	batch_inputs["error on %s" % str(param)].append(ERROR)
1433	else:
1434	# TODO: Why sometimes res.pvec comes with np.float64?
1435	# probably from scipy lmfit
1436	if res.pvec.__class__ == np.float64:
1437	res.pvec = [res.pvec]
1438
1439	cell = BatchCell()
1440	cell.label = res.fitness
1441	cell.value = res.fitness
1442	batch_outputs["Chi2"].append(cell)
1443	# add parameters to batch_results
1444	for param in param_list:
1445	# save value of fixed parameters
1446	if param not in res.param_list:
1447	batch_outputs[str(param)].append(model.getParam(param))
1448	else:
1449	index = res.param_list.index(param)
1450	#save only fitted values
1451	batch_outputs[param].append(res.pvec[index])
1452	if res.stderr is not None and \
1453	len(res.stderr) == len(res.param_list):
1454	item = res.stderr[index]
1455	batch_inputs["error on %s" % param].append(item)
1456	else:
1457	batch_inputs["error on %s" % param].append('-')
1458	model.setParam(param, res.pvec[index])
1459	#fill the batch result with emtpy value if not in the current
1460	#model
1461	EMPTY = "-"
1462	for key in batch_outputs.keys():
1463	if key not in param_list and key not in ["Chi2", "Data"]:
1464	batch_outputs[key].append(EMPTY)
1465
1466	self.page_finder[pid].set_batch_result(batch_inputs=batch_inputs,
1467	batch_outputs=batch_outputs)
1468
1469	cpage = self.fit_panel.get_page_by_id(pid)
1470	cpage._on_fit_complete()
1471	self.page_finder[pid][data.id].set_result(res)
1472	fitproblem = self.page_finder[pid][data.id]
1473	qmin, qmax = fitproblem.get_range()
1474	plot_result = False
1475	if correct_result:
1476	if not is_data2d:
1477	self._complete1D(x=data.x[res.index], y=res.theory, page_id=pid,
1478	elapsed=None,
1479	index=res.index, model=model,
1480	weight=None, fid=data.id,
1481	toggle_mode_on=False, state=None,
1482	data=data, update_chisqr=False,
1483	source='fit', plot_result=plot_result)
1484	else:
1485	self._complete2D(image=new_theory, data=data,
1486	model=model,
1487	page_id=pid, elapsed=None,
1488	index=res.index,
1489	qmin=qmin,
1490	qmax=qmax, fid=data.id, weight=None,
1491	toggle_mode_on=False, state=None,
1492	update_chisqr=False,
1493	source='fit', plot_result=plot_result)
1494	self.on_set_batch_result(page_id=pid,
1495	fid=data.id,
1496	batch_outputs=batch_outputs,
1497	batch_inputs=batch_inputs)
1498
1499	evt = StatusEvent(status=msg, error="info", type="stop")
1500	wx.PostEvent(self.parent, evt)
1501	# Remove parameters that are not shown
1502	cpage = self.fit_panel.get_page_by_id(uid)
1503	tbatch_outputs = {}
1504	shownkeystr = cpage.get_copy_params()
1505	for key in batch_outputs.keys():
1506	if key in ["Chi2", "Data"] or shownkeystr.count(key) > 0:
1507	tbatch_outputs[key] = batch_outputs[key]
1508
1509	wx.CallAfter(self.parent.on_set_batch_result, tbatch_outputs,
1510	batch_inputs, self.sub_menu)
1511
1512	def on_set_batch_result(self, page_id, fid, batch_outputs, batch_inputs):
1513	"""
1514	"""
1515	pid = page_id
1516	if fid not in self.page_finder[pid]:
1517	return
1518	fitproblem = self.page_finder[pid][fid]
1519	index = self.page_finder[pid].nbr_residuals_computed - 1
1520	residuals = fitproblem.get_residuals()
1521	theory_data = fitproblem.get_theory_data()
1522	data = fitproblem.get_fit_data()
1523	model = fitproblem.get_model()
1524	#fill batch result information
1525	if "Data" not in batch_outputs:
1526	batch_outputs["Data"] = []
1527	cell = BatchCell()
1528	cell.label = data.name
1529	cell.value = index
1530
1531	if theory_data is not None:
1532	#Suucessful fit
1533	theory_data.id = wx.NewId()
1534	theory_data.name = model.name + "[%s]" % str(data.name)
1535	if issubclass(theory_data.__class__, Data2D):
1536	group_id = wx.NewId()
1537	theory_data.group_id = group_id
1538	if group_id not in theory_data.list_group_id:
1539	theory_data.list_group_id.append(group_id)
1540
1541	try:
1542	# associate residuals plot
1543	if issubclass(residuals.__class__, Data2D):
1544	group_id = wx.NewId()
1545	residuals.group_id = group_id
1546	if group_id not in residuals.list_group_id:
1547	residuals.list_group_id.append(group_id)
1548	batch_outputs["Chi2"][index].object = [residuals]
1549	except:
1550	pass
1551
1552	cell.object = [data, theory_data]
1553	batch_outputs["Data"].append(cell)
1554	for key, value in data.meta_data.items():
1555	if key not in batch_inputs:
1556	batch_inputs[key] = []
1557	#if key.lower().strip() != "loader":
1558	batch_inputs[key].append(value)
1559	param = "temperature"
1560	if hasattr(data.sample, param):
1561	if param not in batch_inputs:
1562	batch_inputs[param] = []
1563	batch_inputs[param].append(data.sample.temperature)
1564
1565	def _fit_completed(self, result, page_id, batch_outputs,
1566	batch_inputs=None, pars=None, elapsed=None):
1567	"""
1568	Display result of the fit on related panel(s).
1569	:param result: list of object generated when fit ends
1570	:param pars: list of names of parameters fitted
1571	:param page_id: list of page ids which called fit function
1572	:param elapsed: time spent at the fitting level
1573	"""
1574	t1 = time.time()
1575	str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
1576	msg = "Fit completed on %s \n" % str_time
1577	msg += "Duration time: %s s.\n" % str(elapsed)
1578	evt = StatusEvent(status=msg, info="info", type="stop")
1579	wx.PostEvent(self.parent, evt)
1580	wx.PostEvent(self.result_panel, PlotResultEvent(result=result))
1581	wx.CallAfter(self._update_fit_button, page_id)
1582	result = result[0]
1583	self.fit_thread_list = {}
1584	if page_id is None:
1585	page_id = []
1586	## fit more than 1 model at the same time
1587	try:
1588	index = 0
1589	# Update potential simfit page(s)
1590	if self.sim_page is not None:
1591	self.sim_page._on_fit_complete()
1592	if self.batch_page:
1593	self.batch_page._on_fit_complete()
1594	# Update all fit pages
1595	for uid in page_id:
1596	res = result[index]
1597	fit_msg = res.mesg
1598	if res.fitness is None or \
1599	not np.isfinite(res.fitness) or \
1600	np.any(res.pvec is None) or \
1601	not np.all(np.isfinite(res.pvec)):
1602	fit_msg += "\nFitting did not converge!!!"
1603	wx.CallAfter(self._update_fit_button, page_id)
1604	else:
1605	#set the panel when fit result are float not list
1606	if res.pvec.__class__ == np.float64:
1607	pvec = [res.pvec]
1608	else:
1609	pvec = res.pvec
1610	if res.stderr.__class__ == np.float64:
1611	stderr = [res.stderr]
1612	else:
1613	stderr = res.stderr
1614	cpage = self.fit_panel.get_page_by_id(uid)
1615	# Make sure we got all results
1616	#(CallAfter is important to MAC)
1617	try:
1618	#if res is not None:
1619	wx.CallAfter(cpage.onsetValues, res.fitness,
1620	res.param_list,
1621	pvec, stderr)
1622	index += 1
1623	wx.CallAfter(cpage._on_fit_complete)
1624	except KeyboardInterrupt:
1625	fit_msg += "\nSingular point: Fitting stopped."
1626	except Exception:
1627	fit_msg += "\nSingular point: Fitting error occurred."
1628	if fit_msg:
1629	evt = StatusEvent(status=fit_msg, info="warning", type="stop")
1630	wx.PostEvent(self.parent, evt)
1631
1632	except Exception as exc:
1633	msg = "Fit completed but the following error occurred: %s" % exc
1634	#msg = "\n".join((traceback.format_exc(), msg))
1635	evt = StatusEvent(status=msg, info="warning", type="stop")
1636	wx.PostEvent(self.parent, evt)
1637
1638	def _update_fit_button(self, page_id):
1639	"""
1640	Update Fit button when fit stopped
1641
1642	: parameter page_id: fitpage where the button is
1643	"""
1644	if page_id.__class__.__name__ != 'list':
1645	page_id = [page_id]
1646	for uid in page_id:
1647	page = self.fit_panel.get_page_by_id(uid)
1648	page._on_fit_complete()
1649
1650	def _on_show_panel(self, event):
1651	"""
1652	"""
1653	pass
1654
1655	def on_reset_batch_flag(self, event):
1656	"""
1657	Set batch_reset_flag
1658	"""
1659	event.Skip()
1660	if self.menu1 is None:
1661	return
1662	menu_item = self.menu1.FindItemById(self.id_reset_flag)
1663	flag = menu_item.IsChecked()
1664	if not flag:
1665	menu_item.Check(False)
1666	self.batch_reset_flag = True
1667	else:
1668	menu_item.Check(True)
1669	self.batch_reset_flag = False
1670
1671	## post a message to status bar
1672	msg = "Set Chain Fitting: %s" % str(not self.batch_reset_flag)
1673	wx.PostEvent(self.parent, StatusEvent(status=msg))
1674
1675
1676	def _on_slicer_event(self, event):
1677	"""
1678	Receive a panel as event and send it to guiframe
1679
1680	:param event: event containing a panel
1681
1682	"""
1683	if event.panel is not None:
1684	self.slicer_panels.append(event.panel)
1685	# Set group ID if available
1686	event_id = self.parent.popup_panel(event.panel)
1687	event.panel.uid = event_id
1688	self.mypanels.append(event.panel)
1689
1690	def _onclearslicer(self, event):
1691	"""
1692	Clear the boxslicer when close the panel associate with this slicer
1693	"""
1694	name = event.GetEventObject().frame.GetTitle()
1695	for panel in self.slicer_panels:
1696	if panel.window_caption == name:
1697
1698	for item in self.parent.panels:
1699	if hasattr(self.parent.panels[item], "uid"):
1700	if self.parent.panels[item].uid == panel.base.uid:
1701	self.parent.panels[item].onClearSlicer(event)
1702	#self.parent._mgr.Update()
1703	break
1704	break
1705
1706	def _on_model_panel(self, evt):
1707	"""
1708	react to model selection on any combo box or model menu.plot the model
1709
1710	:param evt: wx.combobox event
1711
1712	"""
1713	model = evt.model
1714	uid = evt.uid
1715	qmin = evt.qmin
1716	qmax = evt.qmax
1717	caption = evt.caption
1718	enable_smearer = evt.enable_smearer
1719	if model is None:
1720	return
1721	if uid not in self.page_finder:
1722	return
1723	# save the name containing the data name with the appropriate model
1724	self.page_finder[uid].set_model(model)
1725	self.page_finder[uid].enable_smearing(enable_smearer)
1726	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax)
1727	self.page_finder[uid].set_fit_tab_caption(caption=caption)
1728	if self.sim_page is not None and not self.batch_on:
1729	self.sim_page.draw_page()
1730	if self.batch_page is not None and self.batch_on:
1731	self.batch_page.draw_page()
1732
1733	def _update1D(self, x, output):
1734	"""
1735	Update the output of plotting model 1D
1736	"""
1737	msg = "Plot updating ... "
1738	wx.PostEvent(self.parent, StatusEvent(status=msg, type="update"))
1739
1740	def create_theory_1D(self, x, y, page_id, model, data, state,
1741	data_description, data_id, dy=None):
1742	"""
1743	Create a theory object associate with an existing Data1D
1744	and add it to the data manager.
1745	@param x: x-values of the data
1746	@param y: y_values of the data
1747	@param page_id: fit page ID
1748	@param model: model used for fitting
1749	@param data: Data1D object to create the theory for
1750	@param state: model state
1751	@param data_description: title to use in the data manager
1752	@param data_id: unique data ID
1753	"""
1754	new_plot = Data1D(x=x, y=y)
1755	if dy is None:
1756	new_plot.is_data = False
1757	new_plot.dy = np.zeros(len(y))
1758	# If this is a theory curve, pick the proper symbol to make it a curve
1759	new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
1760	else:
1761	new_plot.is_data = True
1762	new_plot.dy = dy
1763	new_plot.interactive = True
1764	new_plot.dx = None
1765	new_plot.dxl = None
1766	new_plot.dxw = None
1767	_yaxis, _yunit = data.get_yaxis()
1768	_xaxis, _xunit = data.get_xaxis()
1769	new_plot.title = data.name
1770	new_plot.group_id = data.group_id
1771	if new_plot.group_id is None:
1772	new_plot.group_id = data.group_id
1773	new_plot.id = data_id
1774	# Find if this theory was already plotted and replace that plot given
1775	# the same id
1776	self.page_finder[page_id].get_theory_data(fid=data.id)
1777
1778	if data.is_data:
1779	data_name = str(data.name)
1780	else:
1781	data_name = str(model.__class__.__name__)
1782
1783	new_plot.name = data_description + " [" + data_name + "]"
1784	new_plot.xaxis(_xaxis, _xunit)
1785	new_plot.yaxis(_yaxis, _yunit)
1786	self.page_finder[page_id].set_theory_data(data=new_plot,
1787	fid=data.id)
1788	self.parent.update_theory(data_id=data.id, theory=new_plot,
1789	state=state)
1790	return new_plot
1791
1792	def _complete1D(self, x, y, page_id, elapsed, index, model,
1793	weight=None, fid=None,
1794	toggle_mode_on=False, state=None,
1795	data=None, update_chisqr=True,
1796	source='model', plot_result=True,
1797	unsmeared_model=None, unsmeared_data=None,
1798	unsmeared_error=None, sq_model=None, pq_model=None):
1799	"""
1800	Complete plotting 1D data
1801	@param unsmeared_model: fit model, without smearing
1802	@param unsmeared_data: data, rescaled to unsmeared model
1803	@param unsmeared_error: data error, rescaled to unsmeared model
1804	"""
1805	number_finite = np.count_nonzero(np.isfinite(y))
1806	np.nan_to_num(y)
1807	new_plot = self.create_theory_1D(x, y, page_id, model, data, state,
1808	data_description=model.name,
1809	data_id=str(page_id) + " " + data.name)
1810	plots_to_update = [] # List of plottables that have changed since last calculation
1811	# Create the new theories
1812	if unsmeared_model is not None:
1813	unsmeared_model_plot = self.create_theory_1D(x, unsmeared_model,
1814	page_id, model, data, state,
1815	data_description=model.name + " unsmeared",
1816	data_id=str(page_id) + " " + data.name + " unsmeared")
1817	plots_to_update.append(unsmeared_model_plot)
1818
1819	if unsmeared_data is not None and unsmeared_error is not None:
1820	unsmeared_data_plot = self.create_theory_1D(x, unsmeared_data,
1821	page_id, model, data, state,
1822	data_description="Data unsmeared",
1823	data_id="Data " + data.name + " unsmeared",
1824	dy=unsmeared_error)
1825	plots_to_update.append(unsmeared_data_plot)
1826	if sq_model is not None and pq_model is not None:
1827	sq_id = str(page_id) + " " + data.name + " S(q)"
1828	sq_plot = self.create_theory_1D(x, sq_model, page_id, model, data, state,
1829	data_description=model.name + " S(q)",
1830	data_id=sq_id)
1831	plots_to_update.append(sq_plot)
1832	pq_id = str(page_id) + " " + data.name + " P(q)"
1833	pq_plot = self.create_theory_1D(x, pq_model, page_id, model, data, state,
1834	data_description=model.name + " P(q)",
1835	data_id=pq_id)
1836	plots_to_update.append(pq_plot)
1837	# Update the P(Q), S(Q) and unsmeared theory plots if they exist
1838	wx.PostEvent(self.parent, NewPlotEvent(plots=plots_to_update,
1839	action='update'))
1840
1841	current_pg = self.fit_panel.get_page_by_id(page_id)
1842	title = new_plot.title
1843	batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
1844	if not batch_on:
1845	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=str(title)))
1846	elif plot_result:
1847	top_data_id = self.fit_panel.get_page_by_id(page_id).data.id
1848	if data.id == top_data_id:
1849	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=str(title)))
1850	caption = current_pg.window_caption
1851	self.page_finder[page_id].set_fit_tab_caption(caption=caption)
1852
1853	self.page_finder[page_id].set_theory_data(data=new_plot,
1854	fid=data.id)
1855	if toggle_mode_on:
1856	wx.PostEvent(self.parent,
1857	NewPlotEvent(group_id=str(page_id) + " Model2D",
1858	action="Hide"))
1859	else:
1860	if update_chisqr:
1861	output = self._cal_chisqr(data=data,
1862	fid=fid,
1863	weight=weight,
1864	page_id=page_id,
1865	index=index)
1866	wx.PostEvent(current_pg, Chi2UpdateEvent(output=output))
1867	else:
1868	self._plot_residuals(page_id=page_id, data=data, fid=fid,
1869	index=index, weight=weight)
1870
1871	if not number_finite:
1872	logger.error("Using the present parameters the model does not return any finite value. ")
1873	msg = "Computing Error: Model did not return any finite value."
1874	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
1875	else:
1876	msg = "Computation completed!"
1877	if number_finite != y.size:
1878	msg += ' PROBLEM: For some Q values the model returns non finite intensities!'
1879	logger.error("For some Q values the model returns non finite intensities.")
1880	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
1881
1882	def _calc_exception(self, etype, value, tb):
1883	"""
1884	Handle exception from calculator by posting it as an error.
1885	"""
1886	logger.error("".join(traceback.format_exception(etype, value, tb)))
1887	msg = traceback.format_exception(etype, value, tb, limit=1)
1888	evt = StatusEvent(status="".join(msg), type="stop", info="error")
1889	wx.PostEvent(self.parent, evt)
1890
1891	def _update2D(self, output, time=None):
1892	"""
1893	Update the output of plotting model
1894	"""
1895	msg = "Plot updating ... "
1896	wx.PostEvent(self.parent, StatusEvent(msg, type="update"))
1897
1898	def _complete2D(self, image, data, model, page_id, elapsed, index, qmin,
1899	qmax, fid=None, weight=None, toggle_mode_on=False, state=None,
1900	update_chisqr=True, source='model', plot_result=True):
1901	"""
1902	Complete get the result of modelthread and create model 2D
1903	that can be plot.
1904	"""
1905	number_finite = np.count_nonzero(np.isfinite(image))
1906	np.nan_to_num(image)
1907	new_plot = Data2D(image=image, err_image=data.err_data)
1908	new_plot.name = model.name + '2d'
1909	new_plot.title = "Analytical model 2D "
1910	new_plot.id = str(page_id) + " " + data.name
1911	new_plot.group_id = str(page_id) + " Model2D"
1912	new_plot.detector = data.detector
1913	new_plot.source = data.source
1914	new_plot.is_data = False
1915	new_plot.qx_data = data.qx_data
1916	new_plot.qy_data = data.qy_data
1917	new_plot.q_data = data.q_data
1918	new_plot.mask = data.mask
1919	## plot boundaries
1920	new_plot.ymin = data.ymin
1921	new_plot.ymax = data.ymax
1922	new_plot.xmin = data.xmin
1923	new_plot.xmax = data.xmax
1924	title = data.title
1925
1926	new_plot.is_data = False
1927	if data.is_data:
1928	data_name = str(data.name)
1929	else:
1930	data_name = str(model.__class__.__name__) + '2d'
1931
1932	if len(title) > 1:
1933	new_plot.title = "Model2D for %s " % model.name + data_name
1934	new_plot.name = model.name + " [" + \
1935	data_name + "]"
1936	theory_data = deepcopy(new_plot)
1937
1938	self.page_finder[page_id].set_theory_data(data=theory_data,
1939	fid=data.id)
1940	self.parent.update_theory(data_id=data.id,
1941	theory=new_plot,
1942	state=state)
1943	current_pg = self.fit_panel.get_page_by_id(page_id)
1944	title = new_plot.title
1945	if not source == 'fit' and plot_result:
1946	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
1947	if toggle_mode_on:
1948	wx.PostEvent(self.parent,
1949	NewPlotEvent(group_id=str(page_id) + " Model1D",
1950	action="Hide"))
1951	else:
1952	# Chisqr in fitpage
1953	if update_chisqr:
1954	output = self._cal_chisqr(data=data,
1955	weight=weight,
1956	fid=fid,
1957	page_id=page_id,
1958	index=index)
1959	wx.PostEvent(current_pg, Chi2UpdateEvent(output=output))
1960	else:
1961	self._plot_residuals(page_id=page_id, data=data, fid=fid,
1962	index=index, weight=weight)
1963
1964	if not number_finite:
1965	logger.error("Using the present parameters the model does not return any finite value. ")
1966	msg = "Computing Error: Model did not return any finite value."
1967	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
1968	else:
1969	msg = "Computation completed!"
1970	if number_finite != image.size:
1971	msg += ' PROBLEM: For some Qx,Qy values the model returns non finite intensities!'
1972	logger.error("For some Qx,Qy values the model returns non finite intensities.")
1973	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
1974
1975	def _draw_model2D(self, model, page_id, qmin,
1976	qmax,
1977	data=None, smearer=None,
1978	description=None, enable2D=False,
1979	state=None,
1980	fid=None,
1981	weight=None,
1982	toggle_mode_on=False,
1983	update_chisqr=True, source='model'):
1984	"""
1985	draw model in 2D
1986
1987	:param model: instance of the model to draw
1988	:param description: the description of the model
1989	:param enable2D: when True allows to draw model 2D
1990	:param qmin: the minimum value to draw model 2D
1991	:param qmax: the maximum value to draw model 2D
1992	:param qstep: the number of division of Qx and Qy of the model to draw
1993
1994	"""
1995	if not enable2D:
1996	return None
1997	try:
1998	## If a thread is already started, stop it
1999	if (self.calc_2D is not None) and self.calc_2D.isrunning():
2000	self.calc_2D.stop()
2001	## stop just raises a flag to tell the thread to kill
2002	## itself -- see the fix in Calc1D implemented to fix
2003	## an actual problem. Seems the fix should also go here
2004	## and may be the cause of other noted instabilities
2005	##
2006	## -PDB August 12, 2014
2007	while self.calc_2D.isrunning():
2008	time.sleep(0.1)
2009	self.calc_2D = Calc2D(model=model,
2010	data=data,
2011	page_id=page_id,
2012	smearer=smearer,
2013	qmin=qmin,
2014	qmax=qmax,
2015	weight=weight,
2016	fid=fid,
2017	toggle_mode_on=toggle_mode_on,
2018	state=state,
2019	completefn=self._complete2D,
2020	update_chisqr=update_chisqr,
2021	exception_handler=self._calc_exception,
2022	source=source)
2023	self.calc_2D.queue()
2024	except:
2025	raise
2026
2027	def _draw_model1D(self, model, page_id, data,
2028	qmin, qmax, smearer=None,
2029	state=None, weight=None, fid=None,
2030	toggle_mode_on=False, update_chisqr=True, source='model',
2031	enable1D=True):
2032	"""
2033	Draw model 1D from loaded data1D
2034
2035	:param data: loaded data
2036	:param model: the model to plot
2037
2038	"""
2039	if not enable1D:
2040	return
2041	try:
2042	## If a thread is already started, stop it
2043	if (self.calc_1D is not None) and self.calc_1D.isrunning():
2044	self.calc_1D.stop()
2045	## stop just raises the flag -- the thread is supposed to
2046	## then kill itself but cannot. Paul Kienzle came up with
2047	## this fix to prevent threads from stepping on each other
2048	## which was causing a simple custom plugin model to crash
2049	##Sasview.
2050	## We still don't know why the fit sometimes lauched a second
2051	## thread -- something which should also be investigated.
2052	## The thread approach was implemented in order to be able
2053	## to lauch a computation in a separate thread from the GUI so
2054	## that the GUI can still respond to user input including
2055	## a request to stop the computation.
2056	## It seems thus that the whole thread approach used here
2057	## May need rethinking
2058	##
2059	## -PDB August 12, 2014
2060	while self.calc_1D.isrunning():
2061	time.sleep(0.1)
2062	self.calc_1D = Calc1D(data=data,
2063	model=model,
2064	page_id=page_id,
2065	qmin=qmin,
2066	qmax=qmax,
2067	smearer=smearer,
2068	state=state,
2069	weight=weight,
2070	fid=fid,
2071	toggle_mode_on=toggle_mode_on,
2072	completefn=self._complete1D,
2073	#updatefn = self._update1D,
2074	update_chisqr=update_chisqr,
2075	exception_handler=self._calc_exception,
2076	source=source)
2077	self.calc_1D.queue()
2078	except Exception as exc:
2079	msg = " Error occurred when drawing %s Model 1D: " % model.name
2080	msg += " %s" % exc
2081	wx.PostEvent(self.parent, StatusEvent(status=msg))
2082
2083	def _cal_chisqr(self, page_id, data, weight, fid=None, index=None):
2084	"""
2085	Get handy Chisqr using the output from draw1D and 2D,
2086	instead of calling expansive CalcChisqr in guithread
2087	"""
2088	try:
2089	data_copy = deepcopy(data)
2090	except:
2091	return
2092	# default chisqr
2093	chisqr = None
2094	#to compute chisq make sure data has valid data
2095	# return None if data is None
2096	if not check_data_validity(data_copy) or data_copy is None:
2097	return chisqr
2098
2099	# Get data: data I, theory I, and data dI in order
2100	if data_copy.__class__.__name__ == "Data2D":
2101	if index is None:
2102	index = np.ones(len(data_copy.data), dtype=bool)
2103	if weight is not None:
2104	data_copy.err_data = weight
2105	# get rid of zero error points
2106	index = index & (data_copy.err_data != 0)
2107	index = index & (np.isfinite(data_copy.data))
2108	fn = data_copy.data[index]
2109	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2110	if theory_data is None:
2111	return chisqr
2112	gn = theory_data.data[index]
2113	en = data_copy.err_data[index]
2114	else:
2115	# 1 d theory from model_thread is only in the range of index
2116	if index is None:
2117	index = np.ones(len(data_copy.y), dtype=bool)
2118	if weight is not None:
2119	data_copy.dy = weight
2120	if data_copy.dy is None or data_copy.dy == []:
2121	dy = np.ones(len(data_copy.y))
2122	else:
2123	## Set consistently w/AbstractFitengine:
2124	# But this should be corrected later.
2125	dy = deepcopy(data_copy.dy)
2126	dy[dy == 0] = 1
2127	fn = data_copy.y[index]
2128
2129	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2130	if theory_data is None:
2131	return chisqr
2132	gn = theory_data.y
2133	en = dy[index]
2134
2135	# residual
2136	try:
2137	res = (fn - gn) / en
2138	except ValueError:
2139	print("Unmatch lengths %s, %s, %s" % (len(fn), len(gn), len(en)))
2140	return
2141
2142	residuals = res[np.isfinite(res)]
2143	# get chisqr only w/finite
2144	chisqr = np.average(residuals * residuals)
2145
2146	self._plot_residuals(page_id=page_id, data=data_copy,
2147	fid=fid,
2148	weight=weight, index=index)
2149
2150	return chisqr
2151
2152	def _plot_residuals(self, page_id, weight, fid=None,
2153	data=None, index=None):
2154	"""
2155	Plot the residuals
2156
2157	:param data: data
2158	:param index: index array (bool)
2159	: Note: this is different from the residuals in cal_chisqr()
2160	"""
2161	data_copy = deepcopy(data)
2162	# Get data: data I, theory I, and data dI in order
2163	if data_copy.__class__.__name__ == "Data2D":
2164	# build residuals
2165	residuals = Data2D()
2166	#residuals.copy_from_datainfo(data)
2167	# Not for trunk the line below, instead use the line above
2168	data_copy.clone_without_data(len(data_copy.data), residuals)
2169	residuals.data = None
2170	fn = data_copy.data
2171	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2172	gn = theory_data.data
2173	if weight is None:
2174	en = data_copy.err_data
2175	else:
2176	en = weight
2177	residuals.data = (fn - gn) / en
2178	residuals.qx_data = data_copy.qx_data
2179	residuals.qy_data = data_copy.qy_data
2180	residuals.q_data = data_copy.q_data
2181	residuals.err_data = np.ones(len(residuals.data))
2182	residuals.xmin = min(residuals.qx_data)
2183	residuals.xmax = max(residuals.qx_data)
2184	residuals.ymin = min(residuals.qy_data)
2185	residuals.ymax = max(residuals.qy_data)
2186	residuals.q_data = data_copy.q_data
2187	residuals.mask = data_copy.mask
2188	residuals.scale = 'linear'
2189	# check the lengths
2190	if len(residuals.data) != len(residuals.q_data):
2191	return
2192	else:
2193	# 1 d theory from model_thread is only in the range of index
2194	if data_copy.dy is None or data_copy.dy == []:
2195	dy = np.ones(len(data_copy.y))
2196	else:
2197	if weight is None:
2198	dy = np.ones(len(data_copy.y))
2199	## Set consitently w/AbstractFitengine:
2200	## But this should be corrected later.
2201	else:
2202	dy = weight
2203	dy[dy == 0] = 1
2204	fn = data_copy.y[index]
2205	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
2206	gn = theory_data.y
2207	en = dy[index]
2208	# build residuals
2209	residuals = Data1D()
2210	try:
2211	residuals.y = (fn - gn) / en
2212	except:
2213	msg = "ResidualPlot Error: different # of data points in theory"
2214	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
2215	residuals.y = (fn - gn[index]) / en
2216	residuals.x = data_copy.x[index]
2217	residuals.dy = np.ones(len(residuals.y))
2218	residuals.dx = None
2219	residuals.dxl = None
2220	residuals.dxw = None
2221	residuals.ytransform = 'y'
2222	# For latter scale changes
2223	residuals.xaxis('\\rm{Q} ', 'A^{-1}')
2224	residuals.yaxis('\\rm{Residuals} ', 'normalized')
2225	theory_name = str(theory_data.name.split()[0])
2226	new_plot = residuals
2227	new_plot.name = "Residuals for " + str(theory_name) + "[" + \
2228	str(data.name) + "]"
2229	## allow to highlight data when plotted
2230	new_plot.interactive = True
2231	## when 2 data have the same id override the 1 st plotted
2232	new_plot.id = "res" + str(data_copy.id) + str(theory_name)
2233	##group_id specify on which panel to plot this data
2234	group_id = self.page_finder[page_id].get_graph_id()
2235	if group_id is None:
2236	group_id = data.group_id
2237	new_plot.group_id = "res" + str(group_id)
2238	#new_plot.is_data = True
2239	##post data to plot
2240	title = new_plot.name
2241	self.page_finder[page_id].set_residuals(residuals=new_plot,
2242	fid=data.id)
2243	self.parent.update_theory(data_id=data.id, theory=new_plot)
2244	batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
2245	if not batch_on:
2246	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))

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SasView

source: sasview/src/sas/sasgui/perspectives/fitting/fitting.py @ dbc1f73

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