fitting.py @ 92eee84

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalcmagnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 92eee84 was 66acafe, checked in by GitHub <noreply@…>, 7 years ago

Merge pull request #104 from lewisodriscoll/ticket-861

Ticket 861

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File size: 90.8 KB

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

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SasView

source: sasview/src/sas/sasgui/perspectives/fitting/fitting.py @ 92eee84

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