fitting.py @ 9849f8a

magnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249unittest-saveload

Last change on this file since 9849f8a was af7d2e5, checked in by Stuart Prescott <stuart@…>, 7 years ago
Remove executable mode from data files
Property mode set to `100644`
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Rev	Line
[f76bf17]	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	################################################################################
[a534432]	13	from __future__ import print_function
	14
[f76bf17]	15	import re
	16	import sys
	17	import os
	18	import wx
	19	import logging
[9a5097c]	20	import numpy as np
[f76bf17]	21	import time
	22	from copy import deepcopy
[934ce649]	23	import traceback
[f76bf17]	24
[00f7ff1]	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
[b699768]	33	from sas.sascalc.dataloader.loader import Loader
[2a0f33f]	34	from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
[00f7ff1]	35	from sas.sascalc.fit.pagestate import Reader, PageState, SimFitPageState
[277257f]	36	from sas.sascalc.fit import models
[2a0f33f]	37
[d85c194]	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
[f76bf17]	50
[00f7ff1]	51	from sas.sasgui.perspectives.calculator.model_editor import TextDialog
	52	from sas.sasgui.perspectives.calculator.model_editor import EditorWindow
[9706d88]	53	from sas.sasgui.perspectives.calculator.pyconsole import PyConsole
[00f7ff1]	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
[934ce649]	64
[463e7ffc]	65	logger = logging.getLogger(__name__)
[c155a16]	66
[f76bf17]	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	"""
[f21d496]	82	def __init__(self):
	83	PluginBase.__init__(self, name="Fitting")
[f76bf17]	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
[c155a16]	130	logger.info("Fitting plug-in started")
[f76bf17]	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.iterkeys():
	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
[73cbeec]	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
[f76bf17]	209	self.id_result_panel = wx.NewId()
	210	self.menu1.Append(self.id_result_panel, "Fit Results", "Show fit results panel")
[9776c82]	211	wx.EVT_MENU(owner, self.id_result_panel, self.on_fit_results)
[f76bf17]	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()
[ec72ceb]	236	self.menu1.AppendMenu(self.id_edit, "Plugin Model Operations",
[e92a352]	237	self.edit_model_menu)
[f76bf17]	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	"""
[f21d496]	245	event_id = event.GetId()
	246	label = self.edit_menu.GetLabel(event_id)
[f76bf17]	247	filename = os.path.join(models.find_plugins_dir(), label)
	248	frame = PyConsole(parent=self.parent, manager=self,
	249	panel=self.fit_panel,
[ec72ceb]	250	title='Advanced Plugin Model Editor',
[f76bf17]	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	"""
[f21d496]	259	event_id = event.GetId()
	260	label = self.delete_menu.GetLabel(event_id)
[f76bf17]	261	toks = os.path.splitext(label)
	262	path = os.path.join(models.find_plugins_dir(), toks[0])
[489f53a]	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
[f76bf17]	267	try:
	268	for ext in ['.py', '.pyc']:
	269	p_path = path + ext
[489f53a]	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
[f76bf17]	274	os.remove(p_path)
	275	self.update_custom_combo()
	276	if os.path.isfile(p_path):
[e92a352]	277	msg = "Sorry! unable to delete the default "
	278	msg += "plugin model... \n"
[f76bf17]	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')
[934ce649]	284	#evt = StatusEvent(status=msg, type='stop', info='warning')
	285	#wx.PostEvent(self.parent, evt)
[f76bf17]	286	else:
[f21d496]	287	self.delete_menu.Delete(event_id)
[f76bf17]	288	for item in self.edit_menu.GetMenuItems():
	289	if item.GetLabel() == label:
	290	self.edit_menu.DeleteItem(item)
[e92a352]	291	msg = "The plugin model, %s, has been deleted." % label
[934ce649]	292	evt = StatusEvent(status=msg, type='stop', info='info')
	293	wx.PostEvent(self.parent, evt)
[f76bf17]	294	break
[7673ecd]	295	except Exception:
[00f7ff1]	296	traceback.print_exc()
[f76bf17]	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	"""
[f21d496]	304	event_id = event.GetId()
[f76bf17]	305	model_manager = models.ModelManager()
[277257f]	306	model_list = model_manager.composable_models()
[f76bf17]	307	plug_dir = models.find_plugins_dir()
[6f16e25]	308	textdial = TextDialog(None, self, wx.ID_ANY, 'Easy Sum/Multi(p1, p2) Editor',
[f76bf17]	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	"""
[a534432]	318	if self.new_model_frame is not None:
[f76bf17]	319	self.new_model_frame.Show(False)
	320	self.new_model_frame.Show(True)
	321	else:
[f21d496]	322	event_id = event.GetId()
[f76bf17]	323	dir_path = models.find_plugins_dir()
[ec72ceb]	324	title = "New Plugin Model Function"
[f76bf17]	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
[105ef92]	330	def load_plugin_models(self, event):
	331	"""
	332	Update of models in plugin_models folder
	333	"""
	334	event_id = event.GetId()
[c807957]	335	self.update_custom_combo()
[105ef92]	336
[f76bf17]	337	def update_custom_combo(self):
	338	"""
	339	Update custom model list in the fitpage combo box
	340	"""
[ec72ceb]	341	custom_model = 'Plugin Models'
[f76bf17]	342	try:
	343	# Update edit menus
	344	self.set_edit_menu_helper(self.parent, self.edit_custom_model)
	345	self.set_edit_menu_helper(self.parent, self.delete_custom_model)
[277257f]	346	new_pmodel_list = self.fit_panel.reset_pmodel_list()
	347	if not new_pmodel_list:
	348	return
	349	# Set the new plugin model list for all fit pages
	350	for uid, page in self.fit_panel.opened_pages.iteritems():
	351	if hasattr(page, "formfactorbox"):
	352	page.model_list_box = new_pmodel_list
	353	mod_cat = page.categorybox.GetStringSelection()
	354	if mod_cat == custom_model:
	355	box = page.formfactorbox
	356	model_name = box.GetValue()
	357	model = (box.GetClientData(box.GetCurrentSelection())
	358	if model_name else None)
	359	page._show_combox_helper()
	360	new_index = box.FindString(model_name)
	361	new_model = (box.GetClientData(new_index)
	362	if new_index >= 0 else None)
	363	if new_index >= 0:
	364	box.SetStringSelection(model_name)
	365	else:
	366	box.SetStringSelection('')
	367	if model and new_model != model:
	368	page._on_select_model(keep_pars=True)
[9706d88]	369	if hasattr(page, "structurebox"):
[69363c7]	370	selected_name = page.structurebox.GetStringSelection()
	371
	372	page.structurebox.Clear()
	373	page.initialize_combox()
	374
	375	index = page.structurebox.FindString(selected_name)
	376	if index == -1:
	377	index = 0
	378	page.structurebox.SetSelection(index)
	379	page._on_select_model()
[277257f]	380	except Exception:
[c155a16]	381	logger.error("update_custom_combo: %s", sys.exc_value)
[f76bf17]	382
	383	def set_edit_menu(self, owner):
	384	"""
	385	Set list of the edit model menu labels
	386	"""
[f21d496]	387	wx_id = wx.NewId()
[f76bf17]	388	#new_model_menu = wx.Menu()
[ec72ceb]	389	self.edit_model_menu.Append(wx_id, 'New Plugin Model',
[277257f]	390	'Add a new model function')
[f21d496]	391	wx.EVT_MENU(owner, wx_id, self.make_new_model)
[2a0f33f]	392
[f21d496]	393	wx_id = wx.NewId()
	394	self.edit_model_menu.Append(wx_id, 'Sum\|Multi(p1, p2)',
[f76bf17]	395	'Sum of two model functions')
[f21d496]	396	wx.EVT_MENU(owner, wx_id, self.make_sum_model)
[105ef92]	397
[f76bf17]	398	e_id = wx.NewId()
	399	self.edit_menu = wx.Menu()
	400	self.edit_model_menu.AppendMenu(e_id,
[ec72ceb]	401	'Advanced Plugin Editor', self.edit_menu)
[f76bf17]	402	self.set_edit_menu_helper(owner, self.edit_custom_model)
	403
	404	d_id = wx.NewId()
	405	self.delete_menu = wx.Menu()
	406	self.edit_model_menu.AppendMenu(d_id,
[ec72ceb]	407	'Delete Plugin Models', self.delete_menu)
[f76bf17]	408	self.set_edit_menu_helper(owner, self.delete_custom_model)
	409
[105ef92]	410	wx_id = wx.NewId()
[ec72ceb]	411	self.edit_model_menu.Append(wx_id, 'Load Plugin Models',
[105ef92]	412	'(Re)Load all models present in user plugin_models folder')
	413	wx.EVT_MENU(owner, wx_id, self.load_plugin_models)
[2a0f33f]	414
[f76bf17]	415	def set_edit_menu_helper(self, owner=None, menu=None):
	416	"""
	417	help for setting list of the edit model menu labels
	418	"""
[a534432]	419	if menu is None:
[f76bf17]	420	menu = self.edit_custom_model
	421	list_fnames = os.listdir(models.find_plugins_dir())
	422	list_fnames.sort()
	423	for f_item in list_fnames:
	424	name = os.path.basename(f_item)
	425	toks = os.path.splitext(name)
	426	if toks[-1] == '.py' and not toks[0] == '__init__':
	427	if menu == self.edit_custom_model:
	428	if toks[0] == 'easy_sum_of_p1_p2':
	429	continue
	430	submenu = self.edit_menu
	431	else:
	432	submenu = self.delete_menu
	433	has_file = False
	434	for item in submenu.GetMenuItems():
	435	if name == submenu.GetLabel(item.GetId()):
	436	has_file = True
	437	if not has_file:
[f21d496]	438	wx_id = wx.NewId()
	439	submenu.Append(wx_id, name)
	440	wx.EVT_MENU(owner, wx_id, menu)
[f76bf17]	441	has_file = False
	442
	443	def put_icon(self, frame):
	444	"""
	445	Put icon in the frame title bar
	446	"""
	447	if hasattr(frame, "IsIconized"):
	448	if not frame.IsIconized():
	449	try:
	450	icon = self.parent.GetIcon()
	451	frame.SetIcon(icon)
	452	except:
	453	pass
	454
	455	def on_add_sim_page(self, event):
	456	"""
	457	Create a page to access simultaneous fit option
	458	"""
[f21d496]	459	event_id = event.GetId()
[f76bf17]	460	caption = "Const & Simul Fit"
	461	page = self.sim_page
[f21d496]	462	if event_id == self.id_batchfit:
[f76bf17]	463	caption = "Combined Batch"
	464	page = self.batch_page
	465
	466	def set_focus_page(page):
	467	page.Show(True)
	468	page.Refresh()
	469	page.SetFocus()
	470	#self.parent._mgr.Update()
	471	msg = "%s already opened\n" % str(page.window_caption)
	472	wx.PostEvent(self.parent, StatusEvent(status=msg))
	473
[a534432]	474	if page is not None:
[f76bf17]	475	return set_focus_page(page)
	476	if caption == "Const & Simul Fit":
	477	self.sim_page = self.fit_panel.add_sim_page(caption=caption)
	478	else:
	479	self.batch_page = self.fit_panel.add_sim_page(caption=caption)
	480
	481	def get_context_menu(self, plotpanel=None):
	482	"""
	483	Get the context menu items available for P(r).them allow fitting option
	484	for Data2D and Data1D only.
	485
	486	:param graph: the Graph object to which we attach the context menu
	487
	488	:return: a list of menu items with call-back function
	489
	490	:note: if Data1D was generated from Theory1D
	491	the fitting option is not allowed
	492
	493	"""
	494	self.plot_panel = plotpanel
	495	graph = plotpanel.graph
	496	fit_option = "Select data for fitting"
	497	fit_hint = "Dialog with fitting parameters "
	498
	499	if graph.selected_plottable not in plotpanel.plots:
	500	return []
	501	item = plotpanel.plots[graph.selected_plottable]
	502	if item.__class__.__name__ is "Data2D":
	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	else:
	510
	511	# if is_data is true , this in an actual data loaded
	512	#else it is a data created from a theory model
	513	if hasattr(item, "is_data"):
	514	if item.is_data:
	515	return [[fit_option, fit_hint, self._onSelect]]
	516	else:
	517	return []
	518	return [[fit_option, fit_hint, self._onSelect]]
	519	return []
	520
	521	def get_panels(self, parent):
	522	"""
	523	Create and return a list of panel objects
	524	"""
	525	self.parent = parent
	526	#self.parent.Bind(EVT_FITSTATE_UPDATE, self.on_set_state_helper)
	527	# Creation of the fit panel
	528	self.frame = MDIFrame(self.parent, None, 'None', (100, 200))
	529	self.fit_panel = FitPanel(parent=self.frame, manager=self)
	530	self.frame.set_panel(self.fit_panel)
	531	self._frame_set_helper()
	532	self.on_add_new_page(event=None)
	533	#Set the manager for the main panel
	534	self.fit_panel.set_manager(self)
	535	# List of windows used for the perspective
	536	self.perspective = []
	537	self.perspective.append(self.fit_panel.window_name)
	538
	539	self.result_frame = MDIFrame(self.parent, None, ResultPanel.window_caption, (220, 200))
	540	self.result_panel = ResultPanel(parent=self.result_frame, manager=self)
	541	self.perspective.append(self.result_panel.window_name)
	542
	543	#index number to create random model name
	544	self.index_model = 0
	545	self.index_theory = 0
	546	self.parent.Bind(EVT_SLICER_PANEL, self._on_slicer_event)
	547	self.parent.Bind(EVT_SLICER_PARS_UPDATE, self._onEVT_SLICER_PANEL)
[05228b0]	548
[243fbc0]	549	# CRUFT: EVT_FITTER_CHANGED is not None for bumps 0.7.5.9 and above
[05228b0]	550	if EVT_FITTER_CHANGED is not None:
	551	self.parent.Bind(EVT_FITTER_CHANGED, self.on_fitter_changed)
	552	self._set_fitter_label(bumps.options.FIT_CONFIG)
	553
[f76bf17]	554	#self.parent._mgr.Bind(wx.aui.EVT_AUI_PANE_CLOSE,self._onclearslicer)
	555	#Create reader when fitting panel are created
	556	self.state_reader = Reader(self.set_state)
	557	#append that reader to list of available reader
	558	loader = Loader()
	559	loader.associate_file_reader(".fitv", self.state_reader)
	560	#Send the fitting panel to guiframe
	561	self.mypanels.append(self.fit_panel)
	562	self.mypanels.append(self.result_panel)
	563	return self.mypanels
	564
	565	def clear_panel(self):
	566	"""
	567	"""
	568	self.fit_panel.clear_panel()
	569
	570	def delete_data(self, data):
	571	"""
	572	delete the given data from panel
	573	"""
	574	self.fit_panel.delete_data(data)
	575
	576	def set_data(self, data_list=None):
	577	"""
	578	receive a list of data to fit
	579	"""
	580	if data_list is None:
	581	data_list = []
	582	selected_data_list = []
	583	if self.batch_on:
[098f3d2]	584	self.add_fit_page(data=data_list)
[f76bf17]	585	else:
	586	if len(data_list) > MAX_NBR_DATA:
	587	dlg = DataDialog(data_list=data_list, nb_data=MAX_NBR_DATA)
	588	if dlg.ShowModal() == wx.ID_OK:
	589	selected_data_list = dlg.get_data()
	590	dlg.Destroy()
	591
	592	else:
	593	selected_data_list = data_list
	594	try:
	595	group_id = wx.NewId()
	596	for data in selected_data_list:
	597	if data is not None:
	598	# 2D has no same group_id
	599	if data.__class__.__name__ == 'Data2D':
	600	group_id = wx.NewId()
	601	data.group_id = group_id
	602	if group_id not in data.list_group_id:
	603	data.list_group_id.append(group_id)
[098f3d2]	604	self.add_fit_page(data=[data])
[f76bf17]	605	except:
[098f3d2]	606	msg = "Fitting set_data: " + str(sys.exc_value)
[f76bf17]	607	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
	608
	609	def set_theory(self, theory_list=None):
	610	"""
	611	"""
	612	#set the model state for a given theory_state:
	613	for item in theory_list:
	614	try:
	615	_, theory_state = item
	616	self.fit_panel.set_model_state(theory_state)
[7673ecd]	617	except Exception:
[f76bf17]	618	msg = "Fitting: cannot deal with the theory received"
[934ce649]	619	evt = StatusEvent(status=msg, info="error")
[c155a16]	620	logger.error("set_theory " + msg + "\n" + str(sys.exc_value))
[934ce649]	621	wx.PostEvent(self.parent, evt)
[f76bf17]	622
	623	def set_state(self, state=None, datainfo=None, format=None):
	624	"""
	625	Call-back method for the fit page state reader.
	626	This method is called when a .fitv/.svs file is loaded.
	627
	628	: param state: PageState object
	629	: param datainfo: data
	630	"""
[e89aed5]	631	if isinstance(state, PageState):
[f76bf17]	632	state = state.clone()
	633	self.temp_state.append(state)
[e89aed5]	634	elif isinstance(state, SimFitPageState):
[00f7ff1]	635	if self.fit_panel.sim_page is None:
	636	self.fit_panel.add_sim_page()
	637	self.fit_panel.sim_page.load_from_save_state(state)
[f76bf17]	638	else:
	639	self.temp_state = []
	640	# index to start with for a new set_state
	641	self.state_index = 0
	642	# state file format
	643	self.sfile_ext = format
	644
	645	self.on_set_state_helper(event=None)
	646
	647	def on_set_state_helper(self, event=None):
	648	"""
	649	Set_state_helper. This actually sets state
	650	after plotting data from state file.
	651
	652	: event: FitStateUpdateEvent called
	653	by dataloader.plot_data from guiframe
	654	"""
	655	if len(self.temp_state) == 0:
	656	if self.state_index == 0 and len(self.mypanels) <= 0 \
	657	and self.sfile_ext == '.svs':
	658	self.temp_state = []
	659	self.state_index = 0
	660	return
	661
	662	try:
	663	# Load fitting state
	664	state = self.temp_state[self.state_index]
	665	#panel state should have model selection to set_state
[a534432]	666	if state.formfactorcombobox is not None:
[f76bf17]	667	#set state
	668	data = self.parent.create_gui_data(state.data)
	669	data.group_id = state.data.group_id
	670	self.parent.add_data(data_list={data.id: data})
	671	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
[277257f]	672	title=data.title))
[f76bf17]	673	#need to be fix later make sure we are sendind guiframe.data
	674	#to panel
	675	state.data = data
	676	page = self.fit_panel.set_state(state)
	677	else:
	678	#just set data because set_state won't work
	679	data = self.parent.create_gui_data(state.data)
	680	data.group_id = state.data.group_id
	681	self.parent.add_data(data_list={data.id: data})
	682	wx.PostEvent(self.parent, NewPlotEvent(plot=data,
[277257f]	683	title=data.title))
[f76bf17]	684	page = self.add_fit_page([data])
	685	caption = page.window_caption
	686	self.store_data(uid=page.uid, data_list=page.get_data_list(),
[277257f]	687	caption=caption)
[f76bf17]	688	self.mypanels.append(page)
	689
	690	# get ready for the next set_state
	691	self.state_index += 1
	692
	693	#reset state variables to default when all set_state is finished.
	694	if len(self.temp_state) == self.state_index:
	695
	696	self.temp_state = []
	697	#self.state_index = 0
	698	# Make sure the user sees the fitting panel after loading
	699	#self.parent.set_perspective(self.perspective)
	700	self.on_perspective(event=None)
	701	except:
	702	self.state_index = 0
	703	self.temp_state = []
	704	raise
	705
	706	def set_param2fit(self, uid, param2fit):
	707	"""
	708	Set the list of param names to fit for fitprobelm
	709	"""
	710	self.page_finder[uid].set_param2fit(param2fit)
	711
	712	def set_graph_id(self, uid, graph_id):
	713	"""
	714	Set graph_id for fitprobelm
	715	"""
	716	self.page_finder[uid].set_graph_id(graph_id)
	717
	718	def get_graph_id(self, uid):
	719	"""
	720	Set graph_id for fitprobelm
	721	"""
	722	return self.page_finder[uid].get_graph_id()
	723
	724	def save_fit_state(self, filepath, fitstate):
	725	"""
	726	save fit page state into file
	727	"""
	728	self.state_reader.write(filename=filepath, fitstate=fitstate)
	729
	730	def set_fit_weight(self, uid, flag, is2d=False, fid=None):
	731	"""
	732	Set the fit weights of a given page for all
	733	its data by default. If fid is provide then set the range
	734	only for the data with fid as id
	735	:param uid: id corresponding to a fit page
	736	:param fid: id corresponding to a fit problem (data, model)
	737	:param weight: current dy data
	738	"""
[098f3d2]	739	# If we are not dealing with a specific fit problem, then
	740	# there is no point setting the weights.
	741	if fid is None:
	742	return
[f76bf17]	743	if uid in self.page_finder.keys():
	744	self.page_finder[uid].set_weight(flag=flag, is2d=is2d)
	745
	746	def set_fit_range(self, uid, qmin, qmax, fid=None):
	747	"""
	748	Set the fitting range of a given page for all
	749	its data by default. If fid is provide then set the range
	750	only for the data with fid as id
	751	:param uid: id corresponding to a fit page
	752	:param fid: id corresponding to a fit problem (data, model)
	753	:param qmin: minimum value of the fit range
	754	:param qmax: maximum value of the fit range
	755	"""
	756	if uid in self.page_finder.keys():
	757	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax, fid=fid)
	758
	759	def schedule_for_fit(self, value=0, uid=None):
	760	"""
	761	Set the fit problem field to 0 or 1 to schedule that problem to fit.
	762	Schedule the specified fitproblem or get the fit problem related to
	763	the current page and set value.
	764	:param value: integer 0 or 1
[20fa5fe]	765	:param uid: the id related to a page containing fitting information
[f76bf17]	766	"""
	767	if uid in self.page_finder.keys():
	768	self.page_finder[uid].schedule_tofit(value)
	769
	770	def get_page_finder(self):
	771	"""
	772	return self.page_finder used also by simfitpage.py
	773	"""
	774	return self.page_finder
	775
	776	def set_page_finder(self, modelname, names, values):
	777	"""
	778	Used by simfitpage.py to reset a parameter given the string constrainst.
	779
[20fa5fe]	780	:param modelname: the name of the model for with the parameter
[f76bf17]	781	has to reset
	782	:param value: can be a string in this case.
[20fa5fe]	783	:param names: the parameter name
[f76bf17]	784	"""
	785	sim_page_id = self.sim_page.uid
	786	for uid, value in self.page_finder.iteritems():
	787	if uid != sim_page_id and uid != self.batch_page.uid:
[f21d496]	788	model_list = value.get_model()
	789	model = model_list[0]
[f76bf17]	790	if model.name == modelname:
	791	value.set_model_param(names, values)
	792	break
	793
	794	def split_string(self, item):
	795	"""
	796	receive a word containing dot and split it. used to split parameterset
	797	name into model name and parameter name example: ::
	798
[20fa5fe]	799	parameterset (item) = M1.A
[f76bf17]	800	Will return model_name = M1 , parameter name = A
	801
	802	"""
	803	if item.find(".") >= 0:
[277257f]	804	param_names = re.split(r"\.", item)
[f76bf17]	805	model_name = param_names[0]
	806	##Assume max len is 3; eg., M0.radius.width
	807	if len(param_names) == 3:
	808	param_name = param_names[1] + "." + param_names[2]
	809	else:
	810	param_name = param_names[1]
	811	return model_name, param_name
	812
	813	def on_bumps_options(self, event=None):
[9776c82]	814	"""
	815	Open the bumps options panel.
	816	"""
[05228b0]	817	show_fit_config(self.parent, help=self.on_help)
	818
	819	def on_fitter_changed(self, event):
	820	self._set_fitter_label(event.config)
	821
	822	def _set_fitter_label(self, config):
	823	self.fit_panel.parent.SetTitle(self.fit_panel.window_name
	824	+ " - Active Fitting Optimizer: "
	825	+ config.selected_name)
[7945367]	826
	827	def on_help(self, algorithm_id):
[86b049b]	828	_TreeLocation = "user/sasgui/perspectives/fitting/optimizer.html"
[7945367]	829	_anchor = "#fit-"+algorithm_id
[6f16e25]	830	DocumentationWindow(self.parent, wx.ID_ANY, _TreeLocation, _anchor, "Optimizer Help")
[7945367]	831
[f76bf17]	832
[9776c82]	833	def on_fit_results(self, event=None):
	834	"""
	835	Make the Fit Results panel visible.
	836	"""
	837	self.result_frame.Show()
	838	self.result_frame.Raise()
	839
[73cbeec]	840	def on_gpu_options(self, event=None):
	841	"""
	842	Make the Fit Results panel visible.
	843	"""
	844	dialog = GpuOptions(None, wx.ID_ANY, "")
	845	dialog.Show()
	846
[f76bf17]	847	def stop_fit(self, uid):
	848	"""
[acf8e4a5]	849	Stop the fit
[f76bf17]	850	"""
	851	if uid in self.fit_thread_list.keys():
	852	calc_fit = self.fit_thread_list[uid]
	853	if calc_fit is not None and calc_fit.isrunning():
	854	calc_fit.stop()
	855	msg = "Fit stop!"
	856	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
	857	del self.fit_thread_list[uid]
	858	#set the fit button label of page when fit stop is trigger from
	859	#simultaneous fit pane
	860	sim_flag = self.sim_page is not None and uid == self.sim_page.uid
	861	batch_flag = self.batch_page is not None and uid == self.batch_page.uid
	862	if sim_flag or batch_flag:
	863	for uid, value in self.page_finder.iteritems():
	864	if value.get_scheduled() == 1:
	865	if uid in self.fit_panel.opened_pages.keys():
	866	panel = self.fit_panel.opened_pages[uid]
	867	panel._on_fit_complete()
	868
	869	def set_smearer(self, uid, smearer, fid, qmin=None, qmax=None, draw=True,
	870	enable_smearer=False):
	871	"""
	872	Get a smear object and store it to a fit problem of fid as id. If proper
	873	flag is enable , will plot the theory with smearing information.
	874
	875	:param smearer: smear object to allow smearing data of id fid
	876	:param enable_smearer: Define whether or not all (data, model) contained
	877	in the structure of id uid will be smeared before fitting.
	878	:param qmin: the maximum value of the theory plotting range
	879	:param qmax: the maximum value of the theory plotting range
	880	:param draw: Determine if the theory needs to be plot
	881	"""
	882	if uid not in self.page_finder.keys():
	883	return
	884	self.page_finder[uid].enable_smearing(flag=enable_smearer)
	885	self.page_finder[uid].set_smearer(smearer, fid=fid)
	886	if draw:
	887	## draw model 1D with smeared data
	888	data = self.page_finder[uid].get_fit_data(fid=fid)
	889	if data is None:
	890	msg = "set_mearer requires at least data.\n"
	891	msg += "Got data = %s .\n" % str(data)
	892	return
	893	#raise ValueError, msg
	894	model = self.page_finder[uid].get_model(fid=fid)
	895	if model is None:
	896	return
	897	enable1D = issubclass(data.__class__, Data1D)
	898	enable2D = issubclass(data.__class__, Data2D)
	899	## if user has already selected a model to plot
	900	## redraw the model with data smeared
	901	smear = self.page_finder[uid].get_smearer(fid=fid)
	902
	903	# compute weight for the current data
	904	weight = self.page_finder[uid].get_weight(fid=fid)
	905
	906	self.draw_model(model=model, data=data, page_id=uid, smearer=smear,
[277257f]	907	enable1D=enable1D, enable2D=enable2D,
	908	qmin=qmin, qmax=qmax, weight=weight)
[f76bf17]	909
	910	def draw_model(self, model, page_id, data=None, smearer=None,
	911	enable1D=True, enable2D=False,
	912	state=None,
	913	fid=None,
	914	toggle_mode_on=False,
	915	qmin=None, qmax=None,
	916	update_chisqr=True, weight=None, source='model'):
	917	"""
	918	Draw model.
	919
	920	:param model: the model to draw
	921	:param name: the name of the model to draw
	922	:param data: the data on which the model is based to be drawn
	923	:param description: model's description
	924	:param enable1D: if true enable drawing model 1D
	925	:param enable2D: if true enable drawing model 2D
	926	:param qmin: Range's minimum value to draw model
	927	:param qmax: Range's maximum value to draw model
	928	:param qstep: number of step to divide the x and y-axis
	929	:param update_chisqr: update chisqr [bool]
	930
	931	"""
	932	#self.weight = weight
	933	if issubclass(data.__class__, Data1D) or not enable2D:
	934	## draw model 1D with no loaded data
	935	self._draw_model1D(model=model,
	936	data=data,
	937	page_id=page_id,
	938	enable1D=enable1D,
	939	smearer=smearer,
	940	qmin=qmin,
	941	qmax=qmax,
	942	fid=fid,
	943	weight=weight,
	944	toggle_mode_on=toggle_mode_on,
	945	state=state,
	946	update_chisqr=update_chisqr,
	947	source=source)
	948	else:
	949	## draw model 2D with no initial data
	950	self._draw_model2D(model=model,
[277257f]	951	page_id=page_id,
	952	data=data,
	953	enable2D=enable2D,
	954	smearer=smearer,
	955	qmin=qmin,
	956	qmax=qmax,
	957	fid=fid,
	958	weight=weight,
	959	state=state,
	960	toggle_mode_on=toggle_mode_on,
	961	update_chisqr=update_chisqr,
	962	source=source)
[f76bf17]	963
	964	def onFit(self, uid):
	965	"""
	966	Get series of data, model, associates parameters and range and send then
[acf8e4a5]	967	to series of fitters. Fit data and model, display result to
[f76bf17]	968	corresponding panels.
	969	:param uid: id related to the panel currently calling this fit function.
	970	"""
[277257f]	971	if uid is None:
	972	raise RuntimeError("no page to fit") # Should never happen
[f76bf17]	973
	974	sim_page_uid = getattr(self.sim_page, 'uid', None)
	975	batch_page_uid = getattr(self.batch_page, 'uid', None)
	976
	977	if uid == sim_page_uid:
	978	fit_type = 'simultaneous'
	979	elif uid == batch_page_uid:
	980	fit_type = 'combined_batch'
	981	else:
	982	fit_type = 'single'
	983
	984	fitter_list = []
	985	sim_fitter = None
	986	if fit_type == 'simultaneous':
[acf8e4a5]	987	# for simultaneous fitting only one fitter is needed
	988	sim_fitter = Fit()
[f76bf17]	989	sim_fitter.fitter_id = self.sim_page.uid
	990	fitter_list.append(sim_fitter)
	991
	992	self.current_pg = None
	993	list_page_id = []
	994	fit_id = 0
	995	for page_id, page_info in self.page_finder.iteritems():
	996	# For simulfit (uid give with None), do for-loop
	997	# if uid is specified (singlefit), do it only on the page.
	998	if page_id in (sim_page_uid, batch_page_uid): continue
	999	if fit_type == "single" and page_id != uid: continue
	1000
	1001	try:
	1002	if page_info.get_scheduled() == 1:
	1003	page_info.nbr_residuals_computed = 0
	1004	page = self.fit_panel.get_page_by_id(page_id)
	1005	self.set_fit_weight(uid=page.uid,
[277257f]	1006	flag=page.get_weight_flag(),
	1007	is2d=page._is_2D())
[f76bf17]	1008	if not page.param_toFit:
	1009	msg = "No fitting parameters for %s" % page.window_caption
[934ce649]	1010	evt = StatusEvent(status=msg, info="error", type="stop")
	1011	wx.PostEvent(page.parent.parent, evt)
[f76bf17]	1012	return False
	1013	if not page._update_paramv_on_fit():
	1014	msg = "Fitting range or parameter values are"
	1015	msg += " invalid in %s" % \
	1016	page.window_caption
[934ce649]	1017	evt = StatusEvent(status=msg, info="error", type="stop")
	1018	wx.PostEvent(page.parent.parent, evt)
[f76bf17]	1019	return False
	1020
	1021	pars = [str(element[1]) for element in page.param_toFit]
	1022	fitproblem_list = page_info.values()
	1023	for fitproblem in fitproblem_list:
	1024	if sim_fitter is None:
[acf8e4a5]	1025	fitter = Fit()
[f76bf17]	1026	fitter.fitter_id = page_id
	1027	fitter_list.append(fitter)
	1028	else:
	1029	fitter = sim_fitter
	1030	self._add_problem_to_fit(fitproblem=fitproblem,
[277257f]	1031	pars=pars,
	1032	fitter=fitter,
	1033	fit_id=fit_id)
[f76bf17]	1034	fit_id += 1
	1035	list_page_id.append(page_id)
	1036	page_info.clear_model_param()
	1037	except KeyboardInterrupt:
	1038	msg = "Fitting terminated"
[934ce649]	1039	evt = StatusEvent(status=msg, info="info", type="stop")
	1040	wx.PostEvent(self.parent, evt)
[f76bf17]	1041	return True
	1042	except:
[a3f125f0]	1043	raise
[f76bf17]	1044	msg = "Fitting error: %s" % str(sys.exc_value)
[934ce649]	1045	evt = StatusEvent(status=msg, info="error", type="stop")
	1046	wx.PostEvent(self.parent, evt)
[f76bf17]	1047	return False
	1048	## If a thread is already started, stop it
[a534432]	1049	#if self.calc_fitis not None and self.calc_fit.isrunning():
[f76bf17]	1050	# self.calc_fit.stop()
	1051	msg = "Fitting is in progress..."
	1052	wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
	1053
[acf8e4a5]	1054	#Handler used to display fit message
[f76bf17]	1055	handler = ConsoleUpdate(parent=self.parent,
	1056	manager=self,
	1057	improvement_delta=0.1)
	1058
	1059	# batch fit
	1060	batch_inputs = {}
	1061	batch_outputs = {}
	1062	if fit_type == "simultaneous":
	1063	page = self.sim_page
	1064	elif fit_type == "combined_batch":
	1065	page = self.batch_page
	1066	else:
	1067	page = self.fit_panel.get_page_by_id(uid)
	1068	if page.batch_on:
	1069	calc_fit = FitThread(handler=handler,
	1070	fn=fitter_list,
	1071	pars=pars,
	1072	batch_inputs=batch_inputs,
	1073	batch_outputs=batch_outputs,
	1074	page_id=list_page_id,
	1075	completefn=self._batch_fit_complete,
	1076	reset_flag=self.batch_reset_flag)
	1077	else:
	1078	## Perform more than 1 fit at the time
	1079	calc_fit = FitThread(handler=handler,
[277257f]	1080	fn=fitter_list,
	1081	batch_inputs=batch_inputs,
	1082	batch_outputs=batch_outputs,
	1083	page_id=list_page_id,
	1084	updatefn=handler.update_fit,
	1085	completefn=self._fit_completed)
[f76bf17]	1086	#self.fit_thread_list[current_page_id] = calc_fit
	1087	self.fit_thread_list[uid] = calc_fit
	1088	calc_fit.queue()
	1089	calc_fit.ready(2.5)
	1090	msg = "Fitting is in progress..."
	1091	wx.PostEvent(self.parent, StatusEvent(status=msg, type="progress"))
	1092
	1093	return True
	1094
	1095	def remove_plot(self, uid, fid=None, theory=False):
	1096	"""
	1097	remove model plot when a fit page is closed
	1098	:param uid: the id related to the fitpage to close
	1099	:param fid: the id of the fitproblem(data, model, range,etc)
	1100	"""
	1101	if uid not in self.page_finder.keys():
	1102	return
	1103	fitproblemList = self.page_finder[uid].get_fit_problem(fid)
	1104	for fitproblem in fitproblemList:
	1105	data = fitproblem.get_fit_data()
	1106	model = fitproblem.get_model()
	1107	plot_id = None
	1108	if model is not None:
	1109	plot_id = data.id + model.name
	1110	if theory:
	1111	plot_id = data.id + model.name
	1112	group_id = data.group_id
	1113	wx.PostEvent(self.parent, NewPlotEvent(id=plot_id,
	1114	group_id=group_id,
	1115	action='remove'))
	1116
	1117	def store_data(self, uid, data_list=None, caption=None):
	1118	"""
[20fa5fe]	1119	Receive a list of data and store them ans well as a caption of
[f76bf17]	1120	the fit page where they come from.
	1121	:param uid: if related to a fit page
	1122	:param data_list: list of data to fit
	1123	:param caption: caption of the window related to these data
	1124	"""
	1125	if data_list is None:
	1126	data_list = []
	1127
	1128	self.page_finder[uid].set_fit_data(data=data_list)
	1129	if caption is not None:
	1130	self.page_finder[uid].set_fit_tab_caption(caption=caption)
	1131
	1132	def on_add_new_page(self, event=None):
	1133	"""
	1134	ask fit panel to create a new empty page
	1135	"""
	1136	try:
	1137	page = self.fit_panel.add_empty_page()
	1138	# add data associated to the page created
[a534432]	1139	if page is not None:
[934ce649]	1140	evt = StatusEvent(status="Page Created", info="info")
	1141	wx.PostEvent(self.parent, evt)
[f76bf17]	1142	else:
	1143	msg = "Page was already Created"
[934ce649]	1144	evt = StatusEvent(status=msg, info="warning")
	1145	wx.PostEvent(self.parent, evt)
[277257f]	1146	except Exception:
[f76bf17]	1147	msg = "Creating Fit page: %s" % sys.exc_value
	1148	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
	1149
	1150	def add_fit_page(self, data):
	1151	"""
	1152	given a data, ask to the fitting panel to create a new fitting page,
	1153	get this page and store it into the page_finder of this plug-in
	1154	:param data: is a list of data
	1155	"""
	1156	page = self.fit_panel.set_data(data)
	1157	# page could be None when loading state files
[a534432]	1158	if page is None:
[f76bf17]	1159	return page
	1160	#append Data1D to the panel containing its theory
	1161	#if theory already plotted
	1162	if page.uid in self.page_finder:
	1163	data = page.get_data()
	1164	theory_data = self.page_finder[page.uid].get_theory_data(data.id)
	1165	if issubclass(data.__class__, Data2D):
	1166	data.group_id = wx.NewId()
	1167	if theory_data is not None:
	1168	group_id = str(page.uid) + " Model1D"
	1169	wx.PostEvent(self.parent,
[277257f]	1170	NewPlotEvent(group_id=group_id,
	1171	action="delete"))
[f76bf17]	1172	self.parent.update_data(prev_data=theory_data,
[277257f]	1173	new_data=data)
[f76bf17]	1174	else:
	1175	if theory_data is not None:
	1176	group_id = str(page.uid) + " Model2D"
	1177	data.group_id = theory_data.group_id
	1178	wx.PostEvent(self.parent,
[277257f]	1179	NewPlotEvent(group_id=group_id,
	1180	action="delete"))
[f76bf17]	1181	self.parent.update_data(prev_data=theory_data,
[277257f]	1182	new_data=data)
[f76bf17]	1183	self.store_data(uid=page.uid, data_list=page.get_data_list(),
	1184	caption=page.window_caption)
	1185	if self.sim_page is not None and not self.batch_on:
	1186	self.sim_page.draw_page()
	1187	if self.batch_page is not None and self.batch_on:
	1188	self.batch_page.draw_page()
	1189
	1190	return page
	1191
	1192	def _onEVT_SLICER_PANEL(self, event):
	1193	"""
	1194	receive and event telling to update a panel with a name starting with
	1195	event.panel_name. this method update slicer panel
	1196	for a given interactor.
	1197
[20fa5fe]	1198	:param event: contains type of slicer , parameters for updating
[f76bf17]	1199	the panel and panel_name to find the slicer 's panel concerned.
	1200	"""
	1201	event.panel_name
	1202	for item in self.parent.panels:
	1203	name = event.panel_name
	1204	if self.parent.panels[item].window_caption.startswith(name):
	1205	self.parent.panels[item].set_slicer(event.type, event.params)
	1206
	1207	#self.parent._mgr.Update()
	1208
	1209	def _closed_fitpage(self, event):
	1210	"""
	1211	request fitpanel to close a given page when its unique data is removed
	1212	from the plot. close fitpage only when the a loaded data is removed
	1213	"""
	1214	if event is None or event.data is None:
	1215	return
	1216	if hasattr(event.data, "is_data"):
	1217	if not event.data.is_data or \
	1218	event.data.__class__.__name__ == "Data1D":
	1219	self.fit_panel.close_page_with_data(event.data)
	1220
	1221	def _reset_schedule_problem(self, value=0, uid=None):
	1222	"""
	1223	unschedule or schedule all fitproblem to be fit
	1224	"""
	1225	# case that uid is not specified
[a534432]	1226	if uid is None:
[f76bf17]	1227	for page_id in self.page_finder.keys():
	1228	self.page_finder[page_id].schedule_tofit(value)
	1229	# when uid is given
	1230	else:
	1231	if uid in self.page_finder.keys():
	1232	self.page_finder[uid].schedule_tofit(value)
	1233
	1234	def _add_problem_to_fit(self, fitproblem, pars, fitter, fit_id):
	1235	"""
[acf8e4a5]	1236	Create and set fitter with series of data and model
[f76bf17]	1237	"""
	1238	data = fitproblem.get_fit_data()
	1239	model = fitproblem.get_model()
	1240	smearer = fitproblem.get_smearer()
	1241	qmin, qmax = fitproblem.get_range()
	1242
	1243	#Extra list of parameters and their constraints
	1244	listOfConstraint = []
	1245	param = fitproblem.get_model_param()
	1246	if len(param) > 0:
	1247	for item in param:
	1248	## check if constraint
[a534432]	1249	if item[0] is not None and item[1] is not None:
[f76bf17]	1250	listOfConstraint.append((item[0], item[1]))
	1251	new_model = model
	1252	fitter.set_model(new_model, fit_id, pars, data=data,
	1253	constraints=listOfConstraint)
	1254	fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin,
	1255	qmax=qmax)
	1256	fitter.select_problem_for_fit(id=fit_id, value=1)
	1257
	1258	def _onSelect(self, event):
	1259	"""
	1260	when Select data to fit a new page is created .Its reference is
	1261	added to self.page_finder
	1262	"""
	1263	panel = self.plot_panel
[a534432]	1264	if panel is None:
[f76bf17]	1265	raise ValueError, "Fitting:_onSelect: NonType panel"
	1266	Plugin.on_perspective(self, event=event)
	1267	self.select_data(panel)
	1268
	1269	def select_data(self, panel):
	1270	"""
	1271	"""
	1272	for plottable in panel.graph.plottables:
	1273	if plottable.__class__.__name__ in ["Data1D", "Theory1D"]:
	1274	data_id = panel.graph.selected_plottable
	1275	if plottable == panel.plots[data_id]:
	1276	data = plottable
	1277	self.add_fit_page(data=[data])
	1278	return
	1279	else:
	1280	data = plottable
	1281	self.add_fit_page(data=[data])
	1282
	1283	def update_fit(self, result=None, msg=""):
	1284	"""
	1285	"""
[a534432]	1286	print("update_fit result", result)
[f76bf17]	1287
	1288	def _batch_fit_complete(self, result, pars, page_id,
	1289	batch_outputs, batch_inputs, elapsed=None):
	1290	"""
	1291	Display fit result in batch
[acf8e4a5]	1292	:param result: list of objects received from fitters
[f76bf17]	1293	:param pars: list of fitted parameters names
	1294	:param page_id: list of page ids which called fit function
	1295	:param elapsed: time spent at the fitting level
	1296	"""
	1297	uid = page_id[0]
	1298	if uid in self.fit_thread_list.keys():
	1299	del self.fit_thread_list[uid]
	1300
[373d4ee]	1301	wx.CallAfter(self._update_fit_button, page_id)
[f76bf17]	1302	t1 = time.time()
	1303	str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
	1304	msg = "Fit completed on %s \n" % str_time
	1305	msg += "Duration time: %s s.\n" % str(elapsed)
[934ce649]	1306	evt = StatusEvent(status=msg, info="info", type="stop")
	1307	wx.PostEvent(self.parent, evt)
[f76bf17]	1308
	1309	if batch_outputs is None:
	1310	batch_outputs = {}
	1311
	1312	# format batch_outputs
	1313	batch_outputs["Chi2"] = []
	1314	#Don't like these loops
	1315	# Need to create dictionary of all fitted parameters
	1316	# since the number of parameters can differ between each fit result
	1317	for list_res in result:
	1318	for res in list_res:
	1319	model, data = res.inputs[0]
	1320	if model is not None and hasattr(model, "model"):
	1321	model = model.model
	1322	#get all fittable parameters of the current model
	1323	for param in model.getParamList():
	1324	if param not in batch_outputs.keys():
	1325	batch_outputs[param] = []
	1326	for param in model.getDispParamList():
	1327	if not model.is_fittable(param) and \
	1328	param in batch_outputs.keys():
	1329	del batch_outputs[param]
	1330	# Add fitted parameters and their error
	1331	for param in res.param_list:
	1332	if param not in batch_outputs.keys():
	1333	batch_outputs[param] = []
	1334	err_param = "error on %s" % str(param)
	1335	if err_param not in batch_inputs.keys():
	1336	batch_inputs[err_param] = []
	1337	msg = ""
	1338	for list_res in result:
	1339	for res in list_res:
	1340	pid = res.fitter_id
	1341	model, data = res.inputs[0]
	1342	correct_result = False
	1343	if model is not None and hasattr(model, "model"):
	1344	model = model.model
	1345	if data is not None and hasattr(data, "sas_data"):
	1346	data = data.sas_data
	1347
	1348	is_data2d = issubclass(data.__class__, Data2D)
[0900627]	1349	# Check consistency of arrays
[f76bf17]	1350	if not is_data2d:
	1351	if len(res.theory) == len(res.index[res.index]) and \
	1352	len(res.index) == len(data.y):
	1353	correct_result = True
	1354	else:
	1355	copy_data = deepcopy(data)
	1356	new_theory = copy_data.data
	1357	new_theory[res.index] = res.theory
[9a5097c]	1358	new_theory[res.index == False] = np.nan
[f76bf17]	1359	correct_result = True
[0900627]	1360	# Get all fittable parameters of the current model
[f76bf17]	1361	param_list = model.getParamList()
	1362	for param in model.getDispParamList():
[c4170068]	1363	if '.' in param and param in param_list:
[0900627]	1364	# Ensure polydispersity results are displayed
[c4170068]	1365	p1, p2 = param.split('.')
	1366	if not model.is_fittable(p1) and not (p2 == 'width' and param in res.param_list)\
	1367	and param in param_list:
	1368	param_list.remove(param)
	1369	elif not model.is_fittable(param) and \
[f76bf17]	1370	param in param_list:
	1371	param_list.remove(param)
	1372	if not correct_result or res.fitness is None or \
[9a5097c]	1373	not np.isfinite(res.fitness) or \
[a534432]	1374	np.any(res.pvec is None) or not \
[9a5097c]	1375	np.all(np.isfinite(res.pvec)):
[f76bf17]	1376	data_name = str(None)
	1377	if data is not None:
	1378	data_name = str(data.name)
	1379	model_name = str(None)
	1380	if model is not None:
	1381	model_name = str(model.name)
	1382	msg += "Data %s and Model %s did not fit.\n" % (data_name,
	1383	model_name)
[9a5097c]	1384	ERROR = np.NAN
[f76bf17]	1385	cell = BatchCell()
	1386	cell.label = res.fitness
	1387	cell.value = res.fitness
	1388	batch_outputs["Chi2"].append(ERROR)
	1389	for param in param_list:
[0900627]	1390	# Save value of fixed parameters
[f76bf17]	1391	if param not in res.param_list:
	1392	batch_outputs[str(param)].append(ERROR)
	1393	else:
[0900627]	1394	# Save only fitted values
[f76bf17]	1395	batch_outputs[param].append(ERROR)
	1396	batch_inputs["error on %s" % str(param)].append(ERROR)
	1397	else:
[9a5097c]	1398	# TODO: Why sometimes res.pvec comes with np.float64?
[acf8e4a5]	1399	# probably from scipy lmfit
[9a5097c]	1400	if res.pvec.__class__ == np.float64:
[f76bf17]	1401	res.pvec = [res.pvec]
	1402
	1403	cell = BatchCell()
	1404	cell.label = res.fitness
	1405	cell.value = res.fitness
	1406	batch_outputs["Chi2"].append(cell)
	1407	# add parameters to batch_results
	1408	for param in param_list:
	1409	# save value of fixed parameters
	1410	if param not in res.param_list:
	1411	batch_outputs[str(param)].append(model.getParam(param))
	1412	else:
	1413	index = res.param_list.index(param)
	1414	#save only fitted values
	1415	batch_outputs[param].append(res.pvec[index])
	1416	if res.stderr is not None and \
	1417	len(res.stderr) == len(res.param_list):
	1418	item = res.stderr[index]
	1419	batch_inputs["error on %s" % param].append(item)
	1420	else:
	1421	batch_inputs["error on %s" % param].append('-')
	1422	model.setParam(param, res.pvec[index])
	1423	#fill the batch result with emtpy value if not in the current
	1424	#model
	1425	EMPTY = "-"
	1426	for key in batch_outputs.keys():
	1427	if key not in param_list and key not in ["Chi2", "Data"]:
	1428	batch_outputs[key].append(EMPTY)
	1429
	1430	self.page_finder[pid].set_batch_result(batch_inputs=batch_inputs,
	1431	batch_outputs=batch_outputs)
	1432
	1433	cpage = self.fit_panel.get_page_by_id(pid)
	1434	cpage._on_fit_complete()
	1435	self.page_finder[pid][data.id].set_result(res)
	1436	fitproblem = self.page_finder[pid][data.id]
	1437	qmin, qmax = fitproblem.get_range()
	1438	plot_result = False
	1439	if correct_result:
	1440	if not is_data2d:
	1441	self._complete1D(x=data.x[res.index], y=res.theory, page_id=pid,
	1442	elapsed=None,
	1443	index=res.index, model=model,
	1444	weight=None, fid=data.id,
	1445	toggle_mode_on=False, state=None,
	1446	data=data, update_chisqr=False,
	1447	source='fit', plot_result=plot_result)
	1448	else:
	1449	self._complete2D(image=new_theory, data=data,
	1450	model=model,
	1451	page_id=pid, elapsed=None,
	1452	index=res.index,
	1453	qmin=qmin,
	1454	qmax=qmax, fid=data.id, weight=None,
	1455	toggle_mode_on=False, state=None,
	1456	update_chisqr=False,
	1457	source='fit', plot_result=plot_result)
	1458	self.on_set_batch_result(page_id=pid,
	1459	fid=data.id,
	1460	batch_outputs=batch_outputs,
	1461	batch_inputs=batch_inputs)
	1462
[934ce649]	1463	evt = StatusEvent(status=msg, error="info", type="stop")
	1464	wx.PostEvent(self.parent, evt)
[f76bf17]	1465	# Remove parameters that are not shown
	1466	cpage = self.fit_panel.get_page_by_id(uid)
	1467	tbatch_outputs = {}
	1468	shownkeystr = cpage.get_copy_params()
	1469	for key in batch_outputs.keys():
	1470	if key in ["Chi2", "Data"] or shownkeystr.count(key) > 0:
	1471	tbatch_outputs[key] = batch_outputs[key]
	1472
	1473	wx.CallAfter(self.parent.on_set_batch_result, tbatch_outputs,
	1474	batch_inputs, self.sub_menu)
	1475
	1476	def on_set_batch_result(self, page_id, fid, batch_outputs, batch_inputs):
	1477	"""
	1478	"""
	1479	pid = page_id
	1480	if fid not in self.page_finder[pid]:
	1481	return
	1482	fitproblem = self.page_finder[pid][fid]
	1483	index = self.page_finder[pid].nbr_residuals_computed - 1
	1484	residuals = fitproblem.get_residuals()
	1485	theory_data = fitproblem.get_theory_data()
	1486	data = fitproblem.get_fit_data()
	1487	model = fitproblem.get_model()
	1488	#fill batch result information
	1489	if "Data" not in batch_outputs.keys():
	1490	batch_outputs["Data"] = []
	1491	cell = BatchCell()
	1492	cell.label = data.name
	1493	cell.value = index
	1494
[a534432]	1495	if theory_data is not None:
[f76bf17]	1496	#Suucessful fit
	1497	theory_data.id = wx.NewId()
	1498	theory_data.name = model.name + "[%s]" % str(data.name)
	1499	if issubclass(theory_data.__class__, Data2D):
	1500	group_id = wx.NewId()
	1501	theory_data.group_id = group_id
	1502	if group_id not in theory_data.list_group_id:
	1503	theory_data.list_group_id.append(group_id)
	1504
	1505	try:
	1506	# associate residuals plot
	1507	if issubclass(residuals.__class__, Data2D):
	1508	group_id = wx.NewId()
	1509	residuals.group_id = group_id
	1510	if group_id not in residuals.list_group_id:
	1511	residuals.list_group_id.append(group_id)
	1512	batch_outputs["Chi2"][index].object = [residuals]
	1513	except:
	1514	pass
	1515
	1516	cell.object = [data, theory_data]
	1517	batch_outputs["Data"].append(cell)
	1518	for key, value in data.meta_data.iteritems():
	1519	if key not in batch_inputs.keys():
	1520	batch_inputs[key] = []
	1521	#if key.lower().strip() != "loader":
	1522	batch_inputs[key].append(value)
	1523	param = "temperature"
	1524	if hasattr(data.sample, param):
	1525	if param not in batch_inputs.keys():
	1526	batch_inputs[param] = []
	1527	batch_inputs[param].append(data.sample.temperature)
	1528
	1529	def _fit_completed(self, result, page_id, batch_outputs,
	1530	batch_inputs=None, pars=None, elapsed=None):
	1531	"""
	1532	Display result of the fit on related panel(s).
	1533	:param result: list of object generated when fit ends
	1534	:param pars: list of names of parameters fitted
	1535	:param page_id: list of page ids which called fit function
	1536	:param elapsed: time spent at the fitting level
	1537	"""
	1538	t1 = time.time()
	1539	str_time = time.strftime("%a, %d %b %Y %H:%M:%S ", time.localtime(t1))
	1540	msg = "Fit completed on %s \n" % str_time
	1541	msg += "Duration time: %s s.\n" % str(elapsed)
[934ce649]	1542	evt = StatusEvent(status=msg, info="info", type="stop")
	1543	wx.PostEvent(self.parent, evt)
[f76bf17]	1544	wx.PostEvent(self.result_panel, PlotResultEvent(result=result))
[373d4ee]	1545	wx.CallAfter(self._update_fit_button, page_id)
[f76bf17]	1546	result = result[0]
	1547	self.fit_thread_list = {}
	1548	if page_id is None:
	1549	page_id = []
	1550	## fit more than 1 model at the same time
	1551	try:
	1552	index = 0
[aac161f1]	1553	# Update potential simfit page(s)
	1554	if self.sim_page is not None:
	1555	self.sim_page._on_fit_complete()
	1556	if self.batch_page:
	1557	self.batch_page._on_fit_complete()
	1558	# Update all fit pages
[f76bf17]	1559	for uid in page_id:
	1560	res = result[index]
[1a5d5f2]	1561	fit_msg = res.mesg
[f76bf17]	1562	if res.fitness is None or \
[9a5097c]	1563	not np.isfinite(res.fitness) or \
[a534432]	1564	np.any(res.pvec is None) or \
[9a5097c]	1565	not np.all(np.isfinite(res.pvec)):
[1a5d5f2]	1566	fit_msg += "\nFitting did not converge!!!"
[373d4ee]	1567	wx.CallAfter(self._update_fit_button, page_id)
[f76bf17]	1568	else:
	1569	#set the panel when fit result are float not list
[9a5097c]	1570	if res.pvec.__class__ == np.float64:
[f76bf17]	1571	pvec = [res.pvec]
	1572	else:
	1573	pvec = res.pvec
[9a5097c]	1574	if res.stderr.__class__ == np.float64:
[f76bf17]	1575	stderr = [res.stderr]
	1576	else:
	1577	stderr = res.stderr
	1578	cpage = self.fit_panel.get_page_by_id(uid)
	1579	# Make sure we got all results
	1580	#(CallAfter is important to MAC)
	1581	try:
[a534432]	1582	#if res is not None:
[f76bf17]	1583	wx.CallAfter(cpage.onsetValues, res.fitness,
	1584	res.param_list,
	1585	pvec, stderr)
	1586	index += 1
	1587	wx.CallAfter(cpage._on_fit_complete)
	1588	except KeyboardInterrupt:
[1a5d5f2]	1589	fit_msg += "\nSingular point: Fitting stopped."
[277257f]	1590	except Exception:
[1a5d5f2]	1591	fit_msg += "\nSingular point: Fitting error occurred."
	1592	if fit_msg:
[277257f]	1593	evt = StatusEvent(status=fit_msg, info="warning", type="stop")
	1594	wx.PostEvent(self.parent, evt)
[f76bf17]	1595
[277257f]	1596	except Exception:
[e1442d4]	1597	msg = ("Fit completed but the following error occurred: %s"
	1598	% sys.exc_value)
[00f7ff1]	1599	#msg = "\n".join((traceback.format_exc(), msg))
[934ce649]	1600	evt = StatusEvent(status=msg, info="warning", type="stop")
	1601	wx.PostEvent(self.parent, evt)
[f76bf17]	1602
	1603	def _update_fit_button(self, page_id):
	1604	"""
	1605	Update Fit button when fit stopped
	1606
	1607	: parameter page_id: fitpage where the button is
	1608	"""
	1609	if page_id.__class__.__name__ != 'list':
	1610	page_id = [page_id]
	1611	for uid in page_id:
	1612	page = self.fit_panel.get_page_by_id(uid)
	1613	page._on_fit_complete()
	1614
	1615	def _on_show_panel(self, event):
	1616	"""
	1617	"""
	1618	pass
	1619
	1620	def on_reset_batch_flag(self, event):
	1621	"""
	1622	Set batch_reset_flag
	1623	"""
	1624	event.Skip()
[a534432]	1625	if self.menu1 is None:
[f76bf17]	1626	return
	1627	menu_item = self.menu1.FindItemById(self.id_reset_flag)
	1628	flag = menu_item.IsChecked()
	1629	if not flag:
	1630	menu_item.Check(False)
	1631	self.batch_reset_flag = True
	1632	else:
	1633	menu_item.Check(True)
	1634	self.batch_reset_flag = False
	1635
	1636	## post a message to status bar
	1637	msg = "Set Chain Fitting: %s" % str(not self.batch_reset_flag)
[934ce649]	1638	wx.PostEvent(self.parent, StatusEvent(status=msg))
[f76bf17]	1639
	1640
	1641	def _on_slicer_event(self, event):
	1642	"""
	1643	Receive a panel as event and send it to guiframe
	1644
	1645	:param event: event containing a panel
	1646
	1647	"""
	1648	if event.panel is not None:
	1649	self.slicer_panels.append(event.panel)
	1650	# Set group ID if available
	1651	event_id = self.parent.popup_panel(event.panel)
	1652	event.panel.uid = event_id
	1653	self.mypanels.append(event.panel)
	1654
	1655	def _onclearslicer(self, event):
	1656	"""
	1657	Clear the boxslicer when close the panel associate with this slicer
	1658	"""
	1659	name = event.GetEventObject().frame.GetTitle()
	1660	for panel in self.slicer_panels:
	1661	if panel.window_caption == name:
	1662
	1663	for item in self.parent.panels:
	1664	if hasattr(self.parent.panels[item], "uid"):
	1665	if self.parent.panels[item].uid == panel.base.uid:
	1666	self.parent.panels[item].onClearSlicer(event)
	1667	#self.parent._mgr.Update()
	1668	break
	1669	break
	1670
	1671	def _on_model_panel(self, evt):
	1672	"""
	1673	react to model selection on any combo box or model menu.plot the model
	1674
	1675	:param evt: wx.combobox event
	1676
	1677	"""
	1678	model = evt.model
	1679	uid = evt.uid
	1680	qmin = evt.qmin
	1681	qmax = evt.qmax
	1682	caption = evt.caption
	1683	enable_smearer = evt.enable_smearer
[a534432]	1684	if model is None:
[f76bf17]	1685	return
	1686	if uid not in self.page_finder.keys():
	1687	return
	1688	# save the name containing the data name with the appropriate model
	1689	self.page_finder[uid].set_model(model)
	1690	self.page_finder[uid].enable_smearing(enable_smearer)
	1691	self.page_finder[uid].set_range(qmin=qmin, qmax=qmax)
	1692	self.page_finder[uid].set_fit_tab_caption(caption=caption)
	1693	if self.sim_page is not None and not self.batch_on:
	1694	self.sim_page.draw_page()
	1695	if self.batch_page is not None and self.batch_on:
	1696	self.batch_page.draw_page()
	1697
	1698	def _update1D(self, x, output):
	1699	"""
	1700	Update the output of plotting model 1D
	1701	"""
	1702	msg = "Plot updating ... "
	1703	wx.PostEvent(self.parent, StatusEvent(status=msg, type="update"))
	1704
[c807957]	1705	def create_theory_1D(self, x, y, page_id, model, data, state,
[804fefa]	1706	data_description, data_id, dy=None):
[c807957]	1707	"""
	1708	Create a theory object associate with an existing Data1D
	1709	and add it to the data manager.
	1710	@param x: x-values of the data
	1711	@param y: y_values of the data
	1712	@param page_id: fit page ID
	1713	@param model: model used for fitting
	1714	@param data: Data1D object to create the theory for
	1715	@param state: model state
	1716	@param data_description: title to use in the data manager
	1717	@param data_id: unique data ID
	1718	"""
	1719	new_plot = Data1D(x=x, y=y)
[6a0c75d1]	1720	if dy is None:
	1721	new_plot.is_data = False
[9a5097c]	1722	new_plot.dy = np.zeros(len(y))
[6a0c75d1]	1723	# If this is a theory curve, pick the proper symbol to make it a curve
	1724	new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
	1725	else:
	1726	new_plot.is_data = True
	1727	new_plot.dy = dy
[804fefa]	1728	new_plot.interactive = True
	1729	new_plot.dx = None
	1730	new_plot.dxl = None
	1731	new_plot.dxw = None
[c807957]	1732	_yaxis, _yunit = data.get_yaxis()
	1733	_xaxis, _xunit = data.get_xaxis()
	1734	new_plot.title = data.name
	1735	new_plot.group_id = data.group_id
[a534432]	1736	if new_plot.group_id is None:
[c807957]	1737	new_plot.group_id = data.group_id
	1738	new_plot.id = data_id
	1739	# Find if this theory was already plotted and replace that plot given
	1740	# the same id
	1741	self.page_finder[page_id].get_theory_data(fid=data.id)
	1742
	1743	if data.is_data:
	1744	data_name = str(data.name)
	1745	else:
	1746	data_name = str(model.__class__.__name__)
	1747
	1748	new_plot.name = data_description + " [" + data_name + "]"
	1749	new_plot.xaxis(_xaxis, _xunit)
	1750	new_plot.yaxis(_yaxis, _yunit)
	1751	self.page_finder[page_id].set_theory_data(data=new_plot,
	1752	fid=data.id)
	1753	self.parent.update_theory(data_id=data.id, theory=new_plot,
[277257f]	1754	state=state)
[c807957]	1755	return new_plot
	1756
[f76bf17]	1757	def _complete1D(self, x, y, page_id, elapsed, index, model,
	1758	weight=None, fid=None,
	1759	toggle_mode_on=False, state=None,
	1760	data=None, update_chisqr=True,
[804fefa]	1761	source='model', plot_result=True,
	1762	unsmeared_model=None, unsmeared_data=None,
[ca4d985]	1763	unsmeared_error=None, sq_model=None, pq_model=None):
[f76bf17]	1764	"""
[c807957]	1765	Complete plotting 1D data
	1766	@param unsmeared_model: fit model, without smearing
[804fefa]	1767	@param unsmeared_data: data, rescaled to unsmeared model
[edbe974]	1768	@param unsmeared_error: data error, rescaled to unsmeared model
[f76bf17]	1769	"""
[2a0f33f]	1770	number_finite = np.count_nonzero(np.isfinite(y))
[a534432]	1771	np.nan_to_num(y)
	1772	new_plot = self.create_theory_1D(x, y, page_id, model, data, state,
	1773	data_description=model.name,
	1774	data_id=str(page_id) + " " + data.name)
[2d9526d]	1775	plots_to_update = [] # List of plottables that have changed since last calculation
	1776	# Create the new theories
[a534432]	1777	if unsmeared_model is not None:
[69363c7]	1778	unsmeared_model_plot = self.create_theory_1D(x, unsmeared_model,
[2d9526d]	1779	page_id, model, data, state,
[a534432]	1780	data_description=model.name + " unsmeared",
	1781	data_id=str(page_id) + " " + data.name + " unsmeared")
[2d9526d]	1782	plots_to_update.append(unsmeared_model_plot)
[a534432]	1783
	1784	if unsmeared_data is not None and unsmeared_error is not None:
[69363c7]	1785	unsmeared_data_plot = self.create_theory_1D(x, unsmeared_data,
[2d9526d]	1786	page_id, model, data, state,
[a534432]	1787	data_description="Data unsmeared",
	1788	data_id="Data " + data.name + " unsmeared",
	1789	dy=unsmeared_error)
[2d9526d]	1790	plots_to_update.append(unsmeared_data_plot)
[e61a9b1]	1791	if sq_model is not None and pq_model is not None:
[467068d]	1792	sq_id = str(page_id) + " " + data.name + " S(q)"
	1793	sq_plot = self.create_theory_1D(x, sq_model, page_id, model, data, state,
[e61a9b1]	1794	data_description=model.name + " S(q)",
[467068d]	1795	data_id=sq_id)
[2d9526d]	1796	plots_to_update.append(sq_plot)
[467068d]	1797	pq_id = str(page_id) + " " + data.name + " P(q)"
	1798	pq_plot = self.create_theory_1D(x, pq_model, page_id, model, data, state,
[e61a9b1]	1799	data_description=model.name + " P(q)",
[467068d]	1800	data_id=pq_id)
[2d9526d]	1801	plots_to_update.append(pq_plot)
	1802	# Update the P(Q), S(Q) and unsmeared theory plots if they exist
[69363c7]	1803	wx.PostEvent(self.parent, NewPlotEvent(plots=plots_to_update,
[2d9526d]	1804	action='update'))
[a534432]	1805
	1806	current_pg = self.fit_panel.get_page_by_id(page_id)
	1807	title = new_plot.title
	1808	batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
	1809	if not batch_on:
	1810	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=str(title)))
	1811	elif plot_result:
	1812	top_data_id = self.fit_panel.get_page_by_id(page_id).data.id
	1813	if data.id == top_data_id:
	1814	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=str(title)))
	1815	caption = current_pg.window_caption
	1816	self.page_finder[page_id].set_fit_tab_caption(caption=caption)
	1817
	1818	self.page_finder[page_id].set_theory_data(data=new_plot,
[277257f]	1819	fid=data.id)
[a534432]	1820	if toggle_mode_on:
	1821	wx.PostEvent(self.parent,
	1822	NewPlotEvent(group_id=str(page_id) + " Model2D",
[277257f]	1823	action="Hide"))
[a534432]	1824	else:
	1825	if update_chisqr:
[277257f]	1826	output = self._cal_chisqr(data=data,
	1827	fid=fid,
	1828	weight=weight,
	1829	page_id=page_id,
	1830	index=index)
	1831	wx.PostEvent(current_pg, Chi2UpdateEvent(output=output))
[a534432]	1832	else:
	1833	self._plot_residuals(page_id=page_id, data=data, fid=fid,
	1834	index=index, weight=weight)
[f76bf17]	1835
[a534432]	1836	if not number_finite:
	1837	logger.error("Using the present parameters the model does not return any finite value. ")
	1838	msg = "Computing Error: Model did not return any finite value."
[277257f]	1839	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
[2a0f33f]	1840	else:
[a534432]	1841	msg = "Computation completed!"
[82373f5]	1842	if number_finite != y.size:
[5f768c2]	1843	msg += ' PROBLEM: For some Q values the model returns non finite intensities!'
	1844	logger.error("For some Q values the model returns non finite intensities.")
[f76bf17]	1845	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
	1846
[934ce649]	1847	def _calc_exception(self, etype, value, tb):
	1848	"""
	1849	Handle exception from calculator by posting it as an error.
	1850	"""
[c155a16]	1851	logger.error("".join(traceback.format_exception(etype, value, tb)))
[934ce649]	1852	msg = traceback.format_exception(etype, value, tb, limit=1)
	1853	evt = StatusEvent(status="".join(msg), type="stop", info="error")
	1854	wx.PostEvent(self.parent, evt)
	1855
[f76bf17]	1856	def _update2D(self, output, time=None):
	1857	"""
	1858	Update the output of plotting model
	1859	"""
[934ce649]	1860	msg = "Plot updating ... "
	1861	wx.PostEvent(self.parent, StatusEvent(msg, type="update"))
[f76bf17]	1862
	1863	def _complete2D(self, image, data, model, page_id, elapsed, index, qmin,
[277257f]	1864	qmax, fid=None, weight=None, toggle_mode_on=False, state=None,
	1865	update_chisqr=True, source='model', plot_result=True):
[f76bf17]	1866	"""
	1867	Complete get the result of modelthread and create model 2D
	1868	that can be plot.
	1869	"""
[2a0f33f]	1870	number_finite = np.count_nonzero(np.isfinite(image))
[9a5097c]	1871	np.nan_to_num(image)
[f76bf17]	1872	new_plot = Data2D(image=image, err_image=data.err_data)
	1873	new_plot.name = model.name + '2d'
	1874	new_plot.title = "Analytical model 2D "
	1875	new_plot.id = str(page_id) + " " + data.name
	1876	new_plot.group_id = str(page_id) + " Model2D"
	1877	new_plot.detector = data.detector
	1878	new_plot.source = data.source
	1879	new_plot.is_data = False
	1880	new_plot.qx_data = data.qx_data
	1881	new_plot.qy_data = data.qy_data
	1882	new_plot.q_data = data.q_data
	1883	new_plot.mask = data.mask
	1884	## plot boundaries
	1885	new_plot.ymin = data.ymin
	1886	new_plot.ymax = data.ymax
	1887	new_plot.xmin = data.xmin
	1888	new_plot.xmax = data.xmax
	1889	title = data.title
	1890
	1891	new_plot.is_data = False
	1892	if data.is_data:
	1893	data_name = str(data.name)
	1894	else:
	1895	data_name = str(model.__class__.__name__) + '2d'
	1896
	1897	if len(title) > 1:
	1898	new_plot.title = "Model2D for %s " % model.name + data_name
	1899	new_plot.name = model.name + " [" + \
	1900	data_name + "]"
	1901	theory_data = deepcopy(new_plot)
	1902
	1903	self.page_finder[page_id].set_theory_data(data=theory_data,
	1904	fid=data.id)
	1905	self.parent.update_theory(data_id=data.id,
[277257f]	1906	theory=new_plot,
	1907	state=state)
[f76bf17]	1908	current_pg = self.fit_panel.get_page_by_id(page_id)
	1909	title = new_plot.title
	1910	if not source == 'fit' and plot_result:
[277257f]	1911	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
[f76bf17]	1912	if toggle_mode_on:
	1913	wx.PostEvent(self.parent,
[277257f]	1914	NewPlotEvent(group_id=str(page_id) + " Model1D",
	1915	action="Hide"))
[f76bf17]	1916	else:
	1917	# Chisqr in fitpage
	1918	if update_chisqr:
[277257f]	1919	output = self._cal_chisqr(data=data,
	1920	weight=weight,
	1921	fid=fid,
	1922	page_id=page_id,
	1923	index=index)
	1924	wx.PostEvent(current_pg, Chi2UpdateEvent(output=output))
[f76bf17]	1925	else:
	1926	self._plot_residuals(page_id=page_id, data=data, fid=fid,
[277257f]	1927	index=index, weight=weight)
[a534432]	1928
	1929	if not number_finite:
	1930	logger.error("Using the present parameters the model does not return any finite value. ")
	1931	msg = "Computing Error: Model did not return any finite value."
[277257f]	1932	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
[a534432]	1933	else:
	1934	msg = "Computation completed!"
	1935	if number_finite != image.size:
	1936	msg += ' PROBLEM: For some Qx,Qy values the model returns non finite intensities!'
	1937	logger.error("For some Qx,Qy values the model returns non finite intensities.")
	1938	wx.PostEvent(self.parent, StatusEvent(status=msg, type="stop"))
[f76bf17]	1939
	1940	def _draw_model2D(self, model, page_id, qmin,
	1941	qmax,
	1942	data=None, smearer=None,
	1943	description=None, enable2D=False,
	1944	state=None,
	1945	fid=None,
	1946	weight=None,
	1947	toggle_mode_on=False,
[277257f]	1948	update_chisqr=True, source='model'):
[f76bf17]	1949	"""
	1950	draw model in 2D
	1951
	1952	:param model: instance of the model to draw
	1953	:param description: the description of the model
	1954	:param enable2D: when True allows to draw model 2D
	1955	:param qmin: the minimum value to draw model 2D
	1956	:param qmax: the maximum value to draw model 2D
	1957	:param qstep: the number of division of Qx and Qy of the model to draw
	1958
	1959	"""
	1960	if not enable2D:
	1961	return None
	1962	try:
	1963	## If a thread is already started, stop it
	1964	if (self.calc_2D is not None) and self.calc_2D.isrunning():
	1965	self.calc_2D.stop()
	1966	## stop just raises a flag to tell the thread to kill
	1967	## itself -- see the fix in Calc1D implemented to fix
	1968	## an actual problem. Seems the fix should also go here
	1969	## and may be the cause of other noted instabilities
	1970	##
[2a0f33f]	1971	## -PDB August 12, 2014
[f76bf17]	1972	while self.calc_2D.isrunning():
	1973	time.sleep(0.1)
	1974	self.calc_2D = Calc2D(model=model,
[934ce649]	1975	data=data,
	1976	page_id=page_id,
	1977	smearer=smearer,
	1978	qmin=qmin,
	1979	qmax=qmax,
	1980	weight=weight,
	1981	fid=fid,
	1982	toggle_mode_on=toggle_mode_on,
	1983	state=state,
	1984	completefn=self._complete2D,
	1985	update_chisqr=update_chisqr,
	1986	exception_handler=self._calc_exception,
	1987	source=source)
[f76bf17]	1988	self.calc_2D.queue()
	1989	except:
	1990	raise
	1991
	1992	def _draw_model1D(self, model, page_id, data,
	1993	qmin, qmax, smearer=None,
[277257f]	1994	state=None, weight=None, fid=None,
	1995	toggle_mode_on=False, update_chisqr=True, source='model',
	1996	enable1D=True):
[f76bf17]	1997	"""
	1998	Draw model 1D from loaded data1D
	1999
	2000	:param data: loaded data
	2001	:param model: the model to plot
	2002
	2003	"""
	2004	if not enable1D:
	2005	return
	2006	try:
	2007	## If a thread is already started, stop it
	2008	if (self.calc_1D is not None) and self.calc_1D.isrunning():
	2009	self.calc_1D.stop()
[2a0f33f]	2010	## stop just raises the flag -- the thread is supposed to
[f76bf17]	2011	## then kill itself but cannot. Paul Kienzle came up with
	2012	## this fix to prevent threads from stepping on each other
[ddbac66]	2013	## which was causing a simple custom plugin model to crash
	2014	##Sasview.
[f76bf17]	2015	## We still don't know why the fit sometimes lauched a second
	2016	## thread -- something which should also be investigated.
	2017	## The thread approach was implemented in order to be able
	2018	## to lauch a computation in a separate thread from the GUI so
	2019	## that the GUI can still respond to user input including
	2020	## a request to stop the computation.
	2021	## It seems thus that the whole thread approach used here
[2a0f33f]	2022	## May need rethinking
[f76bf17]	2023	##
[d99f008]	2024	## -PDB August 12, 2014
[f76bf17]	2025	while self.calc_1D.isrunning():
	2026	time.sleep(0.1)
	2027	self.calc_1D = Calc1D(data=data,
	2028	model=model,
	2029	page_id=page_id,
	2030	qmin=qmin,
	2031	qmax=qmax,
	2032	smearer=smearer,
	2033	state=state,
	2034	weight=weight,
	2035	fid=fid,
	2036	toggle_mode_on=toggle_mode_on,
	2037	completefn=self._complete1D,
	2038	#updatefn = self._update1D,
	2039	update_chisqr=update_chisqr,
[934ce649]	2040	exception_handler=self._calc_exception,
[f76bf17]	2041	source=source)
	2042	self.calc_1D.queue()
	2043	except:
	2044	msg = " Error occurred when drawing %s Model 1D: " % model.name
	2045	msg += " %s" % sys.exc_value
	2046	wx.PostEvent(self.parent, StatusEvent(status=msg))
	2047
	2048	def _cal_chisqr(self, page_id, data, weight, fid=None, index=None):
	2049	"""
	2050	Get handy Chisqr using the output from draw1D and 2D,
	2051	instead of calling expansive CalcChisqr in guithread
	2052	"""
	2053	try:
	2054	data_copy = deepcopy(data)
	2055	except:
	2056	return
	2057	# default chisqr
	2058	chisqr = None
	2059	#to compute chisq make sure data has valid data
[a534432]	2060	# return None if data is None
	2061	if not check_data_validity(data_copy) or data_copy is None:
[f76bf17]	2062	return chisqr
	2063
	2064	# Get data: data I, theory I, and data dI in order
	2065	if data_copy.__class__.__name__ == "Data2D":
[a534432]	2066	if index is None:
[9a5097c]	2067	index = np.ones(len(data_copy.data), dtype=bool)
[a534432]	2068	if weight is not None:
[f76bf17]	2069	data_copy.err_data = weight
	2070	# get rid of zero error points
	2071	index = index & (data_copy.err_data != 0)
[9a5097c]	2072	index = index & (np.isfinite(data_copy.data))
[f76bf17]	2073	fn = data_copy.data[index]
	2074	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
[a534432]	2075	if theory_data is None:
[f76bf17]	2076	return chisqr
	2077	gn = theory_data.data[index]
	2078	en = data_copy.err_data[index]
	2079	else:
	2080	# 1 d theory from model_thread is only in the range of index
[a534432]	2081	if index is None:
[9a5097c]	2082	index = np.ones(len(data_copy.y), dtype=bool)
[a534432]	2083	if weight is not None:
[f76bf17]	2084	data_copy.dy = weight
[a534432]	2085	if data_copy.dy is None or data_copy.dy == []:
[9a5097c]	2086	dy = np.ones(len(data_copy.y))
[f76bf17]	2087	else:
[acf8e4a5]	2088	## Set consistently w/AbstractFitengine:
[f76bf17]	2089	# But this should be corrected later.
	2090	dy = deepcopy(data_copy.dy)
	2091	dy[dy == 0] = 1
	2092	fn = data_copy.y[index]
	2093
	2094	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
[a534432]	2095	if theory_data is None:
[f76bf17]	2096	return chisqr
	2097	gn = theory_data.y
	2098	en = dy[index]
	2099
	2100	# residual
	2101	try:
	2102	res = (fn - gn) / en
	2103	except ValueError:
[a534432]	2104	print("Unmatch lengths %s, %s, %s" % (len(fn), len(gn), len(en)))
[f76bf17]	2105	return
	2106
[9a5097c]	2107	residuals = res[np.isfinite(res)]
[f76bf17]	2108	# get chisqr only w/finite
[9a5097c]	2109	chisqr = np.average(residuals * residuals)
[f76bf17]	2110
	2111	self._plot_residuals(page_id=page_id, data=data_copy,
	2112	fid=fid,
	2113	weight=weight, index=index)
	2114
	2115	return chisqr
	2116
	2117	def _plot_residuals(self, page_id, weight, fid=None,
	2118	data=None, index=None):
	2119	"""
	2120	Plot the residuals
	2121
	2122	:param data: data
	2123	:param index: index array (bool)
	2124	: Note: this is different from the residuals in cal_chisqr()
	2125	"""
	2126	data_copy = deepcopy(data)
	2127	# Get data: data I, theory I, and data dI in order
	2128	if data_copy.__class__.__name__ == "Data2D":
	2129	# build residuals
	2130	residuals = Data2D()
	2131	#residuals.copy_from_datainfo(data)
	2132	# Not for trunk the line below, instead use the line above
	2133	data_copy.clone_without_data(len(data_copy.data), residuals)
	2134	residuals.data = None
	2135	fn = data_copy.data
	2136	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
	2137	gn = theory_data.data
[a534432]	2138	if weight is None:
[f76bf17]	2139	en = data_copy.err_data
	2140	else:
	2141	en = weight
	2142	residuals.data = (fn - gn) / en
	2143	residuals.qx_data = data_copy.qx_data
	2144	residuals.qy_data = data_copy.qy_data
	2145	residuals.q_data = data_copy.q_data
[9a5097c]	2146	residuals.err_data = np.ones(len(residuals.data))
[f76bf17]	2147	residuals.xmin = min(residuals.qx_data)
	2148	residuals.xmax = max(residuals.qx_data)
	2149	residuals.ymin = min(residuals.qy_data)
	2150	residuals.ymax = max(residuals.qy_data)
	2151	residuals.q_data = data_copy.q_data
	2152	residuals.mask = data_copy.mask
	2153	residuals.scale = 'linear'
	2154	# check the lengths
	2155	if len(residuals.data) != len(residuals.q_data):
	2156	return
	2157	else:
	2158	# 1 d theory from model_thread is only in the range of index
[a534432]	2159	if data_copy.dy is None or data_copy.dy == []:
[9a5097c]	2160	dy = np.ones(len(data_copy.y))
[f76bf17]	2161	else:
[a534432]	2162	if weight is None:
[9a5097c]	2163	dy = np.ones(len(data_copy.y))
[f76bf17]	2164	## Set consitently w/AbstractFitengine:
	2165	## But this should be corrected later.
	2166	else:
	2167	dy = weight
	2168	dy[dy == 0] = 1
	2169	fn = data_copy.y[index]
	2170	theory_data = self.page_finder[page_id].get_theory_data(fid=data_copy.id)
	2171	gn = theory_data.y
	2172	en = dy[index]
	2173	# build residuals
	2174	residuals = Data1D()
	2175	try:
	2176	residuals.y = (fn - gn) / en
	2177	except:
	2178	msg = "ResidualPlot Error: different # of data points in theory"
	2179	wx.PostEvent(self.parent, StatusEvent(status=msg, info="error"))
	2180	residuals.y = (fn - gn[index]) / en
	2181	residuals.x = data_copy.x[index]
[9a5097c]	2182	residuals.dy = np.ones(len(residuals.y))
[f76bf17]	2183	residuals.dx = None
	2184	residuals.dxl = None
	2185	residuals.dxw = None
	2186	residuals.ytransform = 'y'
[2a0f33f]	2187	# For latter scale changes
[f76bf17]	2188	residuals.xaxis('\\rm{Q} ', 'A^{-1}')
	2189	residuals.yaxis('\\rm{Residuals} ', 'normalized')
	2190	theory_name = str(theory_data.name.split()[0])
	2191	new_plot = residuals
	2192	new_plot.name = "Residuals for " + str(theory_name) + "[" + \
	2193	str(data.name) + "]"
	2194	## allow to highlight data when plotted
	2195	new_plot.interactive = True
	2196	## when 2 data have the same id override the 1 st plotted
	2197	new_plot.id = "res" + str(data_copy.id) + str(theory_name)
	2198	##group_id specify on which panel to plot this data
	2199	group_id = self.page_finder[page_id].get_graph_id()
[a534432]	2200	if group_id is None:
[f76bf17]	2201	group_id = data.group_id
	2202	new_plot.group_id = "res" + str(group_id)
	2203	#new_plot.is_data = True
	2204	##post data to plot
	2205	title = new_plot.name
	2206	self.page_finder[page_id].set_residuals(residuals=new_plot,
	2207	fid=data.id)
	2208	self.parent.update_theory(data_id=data.id, theory=new_plot)
	2209	batch_on = self.fit_panel.get_page_by_id(page_id).batch_on
	2210	if not batch_on:
	2211	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))

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SasView

source: sasview/src/sas/sasgui/perspectives/fitting/fitting.py @ 9849f8a

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