fitting.py @ 8bd764d

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 8bd764d was 6e659ae8, checked in by Gervaise Alina <gervyh@…>, 16 years ago
fix a small bug on fitting with error zero
Property mode set to `100644`
File size: 42.0 KB

Rev	Line
[d89f09b]	1	import os,os.path, re
	2	import sys, wx, logging
[0550752]	3	import string, numpy, math
[d89f09b]	4
[3b19ac9]	5	from copy import deepcopy
[dc317d1]	6	from danse.common.plottools.plottables import Data1D, Theory1D,Data2D
[6f73a08]	7	from danse.common.plottools.PlotPanel import PlotPanel
[d89f09b]	8	from sans.guicomm.events import NewPlotEvent, StatusEvent
[2a8fac1]	9	from sans.guicomm.events import EVT_SLICER_PANEL,EVT_MODEL2D_PANEL,ERR_DATA
[568e1a5]	10
[8f83c90d]	11	from sans.fit.AbstractFitEngine import Model,FitData1D,FitData2D#,Data,
[d89f09b]	12	from fitproblem import FitProblem
	13	from fitpanel import FitPanel
[e9b4cc4]	14	from fit_thread import FitThread
[2dbb681]	15	import models,modelpage
[8566c05]	16	import fitpage1D
[dabb633]	17	import park
[d250f7d]	18	DEFAULT_BEAM = 0.005
[cfc68540]	19	DEFAULT_QMIN = 0.0
[fd25fb0]	20	DEFAULT_QMAX = 0.1
[7b758fd]	21	DEFAULT_NPTS = 50
[e9b4cc4]	22	import time
	23	import thread
	24	print "main",thread.get_ident()
	25
[d89f09b]	26	class Plugin:
	27	"""
[dabb633]	28	Fitting plugin is used to perform fit
[d89f09b]	29	"""
	30	def __init__(self):
	31	## Plug-in name
	32	self.sub_menu = "Fitting"
	33
	34	## Reference to the parent window
	35	self.parent = None
	36	self.menu_mng = models.ModelManager()
	37	## List of panels for the simulation perspective (names)
	38	self.perspective = []
[568e1a5]	39	self.mypanels=[]
[e9b4cc4]	40	self.calc_thread = None
	41	self.done = False
[d89f09b]	42	# Start with a good default
	43	self.elapsed = 0.022
	44	self.fitter = None
	45
	46	#Flag to let the plug-in know that it is running standalone
	47	self.standalone=True
	48	## Fit engine
[3b19ac9]	49	self._fit_engine = 'scipy'
[b2c3225]	50	self.enable_model2D=False
[2a8fac1]	51	# list of selcted data
	52	self.selected_data_list=[]
[d89f09b]	53	# Log startup
	54	logging.info("Fitting plug-in started")
[32d802f]	55	# model 2D view
	56	self.model2D_id=None
[2a8fac1]	57	self.err_dy={}
	58
	59	def _on_data_error(self, event):
	60	self.err_dy= event.err_dy
	61
[d89f09b]	62	def populate_menu(self, id, owner):
	63	"""
	64	Create a menu for the Fitting plug-in
	65	@param id: id to create a menu
	66	@param owner: owner of menu
	67	@ return : list of information to populate the main menu
	68	"""
[32d802f]	69	self.parent.Bind(EVT_MODEL2D_PANEL, self._on_model2D_show)
[d89f09b]	70	#Menu for fitting
	71	self.menu1 = wx.Menu()
[b5c537f]	72	#id1 = wx.NewId()
	73	#self.menu1.Append(id1, '&fit panel')
	74	#wx.EVT_MENU(owner, id1, self.on_perspective)
	75	#Set park engine
[3b19ac9]	76	id3 = wx.NewId()
[442895f]	77	self.menu1.AppendCheckItem(id3, "park")
[3b19ac9]	78	wx.EVT_MENU(owner, id3, self._onset_engine)
[d89f09b]	79
	80	#menu for model
	81	menu2 = wx.Menu()
[f39511b]	82
[d89f09b]	83	self.menu_mng.populate_menu(menu2, owner)
	84	id2 = wx.NewId()
	85	owner.Bind(models.EVT_MODEL,self._on_model_menu)
[2dbb681]	86	#owner.Bind(modelpage.EVT_MODEL,self._on_model_menu)
[d89f09b]	87	self.fit_panel.set_owner(owner)
	88	self.fit_panel.set_model_list(self.menu_mng.get_model_list())
[bcd6d51]	89	owner.Bind(fitpage1D.EVT_MODEL_BOX,self._on_model_panel)
[8566c05]	90	#owner.Bind(fitpage2D.EVT_MODEL_BOX,self._on_model_panel)
[3b19ac9]	91	#create menubar items
[d89f09b]	92	return [(id, self.menu1, "Fitting"),(id2, menu2, "Model")]
	93
	94
	95	def help(self, evt):
	96	"""
	97	Show a general help dialog.
	98	TODO: replace the text with a nice image
	99	"""
[2268d10]	100	#from helpDialog import HelpWindow
	101	#dialog = HelpWindow(None, -1, 'HelpWindow')
	102	#if dialog.ShowModal() == wx.ID_OK:
	103	# pass
	104	#dialog.Destroy()
	105	from helpPanel import HelpWindow
	106	frame = HelpWindow(None, -1, 'HelpWindow')
	107	frame.Show(True)
	108
	109
[d7d143b0]	110
[d89f09b]	111
	112	def get_context_menu(self, graph=None):
	113	"""
	114	Get the context menu items available for P(r)
	115	@param graph: the Graph object to which we attach the context menu
	116	@return: a list of menu items with call-back function
	117	"""
	118	self.graph=graph
	119	for item in graph.plottables:
[693ab78]	120	if item.__class__.__name__ is "Data2D":
[2dbb681]	121	return [["Select data for Fitting",\
	122	"Dialog with fitting parameters ", self._onSelect]]
[6f73a08]	123	else:
[2a8fac1]	124	#if item.name==graph.selected_plottable and\
	125	# item.__class__.__name__ is "Data1D":
	126	if item.name==graph.selected_plottable :
[2dbb681]	127	return [["Select data for Fitting", \
	128	"Dialog with fitting parameters ", self._onSelect]]
[d89f09b]	129	return []
	130
	131
	132	def get_panels(self, parent):
	133	"""
	134	Create and return a list of panel objects
	135	"""
	136	self.parent = parent
	137	# Creation of the fit panel
	138	self.fit_panel = FitPanel(self.parent, -1)
	139	#Set the manager forthe main panel
	140	self.fit_panel.set_manager(self)
	141	# List of windows used for the perspective
	142	self.perspective = []
	143	self.perspective.append(self.fit_panel.window_name)
	144	# take care of saving data, model and page associated with each other
[3b19ac9]	145	self.page_finder = {}
	146	#index number to create random model name
	147	self.index_model = 0
[264df67]	148	self.index_theory= 0
[32673ac]	149	self.parent.Bind(EVT_SLICER_PANEL, self._on_slicer_event)
[2a8fac1]	150	self.parent.Bind( ERR_DATA, self._on_data_error)
[32d802f]	151
[3b19ac9]	152	#create the fitting panel
[568e1a5]	153	#return [self.fit_panel]
[32673ac]	154
[568e1a5]	155	self.mypanels.append(self.fit_panel)
	156	return self.mypanels
[888e62c]	157
	158
[32d802f]	159	def _on_model2D_show(self, event ):
	160	print "model2D get the id ", event.id
[888e62c]	161
	162
[568e1a5]	163	def _on_slicer_event(self, event):
[32673ac]	164	print "fitting:slicer event ", event.panel
[888e62c]	165	if event.panel!=None:
	166	new_panel = event.panel
	167	# Set group ID if available
	168	event_id = self.parent.popup_panel(new_panel)
	169	self.menu1.Append(event_id, new_panel.window_caption,
	170	"Show %s plot panel" % new_panel.window_caption)
	171	# Set UID to allow us to reference the panel later
	172	new_panel.uid = event_id
	173	new_panel
	174	self.mypanels.append(new_panel)
[568e1a5]	175	return
[d23544dc]	176	def _on_show_panel(self, event):
	177	print "_on_show_panel: fitting"
[d89f09b]	178
	179	def get_perspective(self):
	180	"""
	181	Get the list of panel names for this perspective
	182	"""
	183	return self.perspective
	184
	185
	186	def on_perspective(self, event):
	187	"""
	188	Call back function for the perspective menu item.
	189	We notify the parent window that the perspective
	190	has changed.
	191	"""
	192	self.parent.set_perspective(self.perspective)
	193
	194
	195	def post_init(self):
	196	"""
	197	Post initialization call back to close the loose ends
	198	[Somehow openGL needs this call]
	199	"""
	200	self.parent.set_perspective(self.perspective)
[cce33b3]	201
	202	def copy_data(self, item, dy):
	203	detector=None
	204	source=None
	205	dxl=None
	206	dxw=None
	207	if hasattr(item, "dxl"):
	208	dxl = item.dxl
	209	if hasattr(item, "dxw"):
	210	dxw = item.dxw
	211	if hasattr(item, "detector"):
	212	detector =item.detector
	213	if hasattr(item, "source"):
	214	source =item.source
	215	from sans.guiframe import dataFitting
	216	data= dataFitting.Data1D(x=item.x, y=item.y, dy=dy, dxl=dxl, dxw=dxw)
	217	data.name=item.name
	218	data.detector=detector
	219	data.source= source
	220	return data
	221
[d89f09b]	222	def _onSelect(self,event):
	223	"""
	224	when Select data to fit a new page is created .Its reference is
	225	added to self.page_finder
	226	"""
	227	self.panel = event.GetEventObject()
	228	for item in self.panel.graph.plottables:
[2a8fac1]	229	if item.name == self.panel.graph.selected_plottable:
	230	if len(self.err_dy)>0:
	231	if item.name in self.err_dy.iterkeys():
	232	dy= self.err_dy[item.name]
[cce33b3]	233	data= self.copy_data(item, dy)
	234	else:
[6dc6845]	235	data= item
[2a8fac1]	236	else:
	237	if item.dy==None:
	238	dy= numpy.zeros(len(item.y))
	239	dy[dy==0]=1
[cce33b3]	240	data= self.copy_data(item, dy)
[2a8fac1]	241	else:
[949c7b2]	242	data= item
[9e50026]	243	else:
	244	data= item
[cce33b3]	245
	246
[693ab78]	247	if item.name == self.panel.graph.selected_plottable or\
	248	item.__class__.__name__ is "Data2D":
[3b19ac9]	249	#find a name for the page created for notebook
[2a8fac1]	250	print "fitting", self.panel
[d89f09b]	251	try:
[d0eac66]	252
[2a8fac1]	253	#page = self.fit_panel.add_fit_page(item)
	254	page = self.fit_panel.add_fit_page(data)
[ef8b580]	255	#page, model_name = self.fit_panel.add_fit_page(item)
[3b19ac9]	256	# add data associated to the page created
[d0eac66]	257
	258	if page !=None:
[6f73a08]	259	#create a fitproblem storing all link to data,model,page creation
	260	self.page_finder[page]= FitProblem()
[ef8b580]	261	#self.page_finder[page].save_model_name(model_name)
[2a8fac1]	262	self.page_finder[page].add_plotted_data(item)
	263	self.page_finder[page].add_fit_data(data)
	264
	265
[d0eac66]	266	wx.PostEvent(self.parent, StatusEvent(status="Page Created"))
	267	else:
	268	wx.PostEvent(self.parent, StatusEvent(status="Page was already Created"))
[d89f09b]	269	except:
[2a8fac1]	270	raise
	271	#wx.PostEvent(self.parent, StatusEvent(status="Creating Fit page: %s"\
	272	#%sys.exc_value))
	273
	274
[948add7]	275	def schedule_for_fit(self,value=0,fitproblem =None):
	276	"""
	277
	278	"""
	279	if fitproblem !=None:
	280	fitproblem.schedule_tofit(value)
	281	else:
	282	current_pg=self.fit_panel.get_current_page()
	283	for page, val in self.page_finder.iteritems():
	284	if page ==current_pg :
	285	val.schedule_tofit(value)
	286	break
	287
[d89f09b]	288
	289	def get_page_finder(self):
	290	""" @return self.page_finder used also by simfitpage.py"""
	291	return self.page_finder
	292
	293
[3b19ac9]	294	def set_page_finder(self,modelname,names,values):
[d89f09b]	295	"""
	296	Used by simfitpage.py to reset a parameter given the string constrainst.
	297	@param modelname: the name ot the model for with the parameter has to reset
	298	@param value: can be a string in this case.
[3b19ac9]	299	@param names: the paramter name
[d89f09b]	300	@note: expecting park used for fit.
	301	"""
[39a365d]	302	sim_page=self.fit_panel.GetPage(1)
[d89f09b]	303	for page, value in self.page_finder.iteritems():
	304	if page != sim_page:
	305	list=value.get_model()
	306	model=list[0]
[9e27de9]	307	print "fitting",model.name,modelname, values
[d89f09b]	308	if model.name== modelname:
[3b19ac9]	309	value.set_model_param(names,values)
[d89f09b]	310	break
	311
	312
	313
	314	def split_string(self,item):
	315	"""
[3b19ac9]	316	receive a word containing dot and split it. used to split parameterset
	317	name into model name and parameter name example:
	318	paramaterset (item) = M1.A
	319	@return model_name =M1 , parameter name =A
[d89f09b]	320	"""
	321	if string.find(item,".")!=-1:
	322	param_names= re.split("\.",item)
	323	model_name=param_names[0]
	324	param_name=param_names[1]
	325	return model_name,param_name
	326
[e9b4cc4]	327
[3215d32]	328	def _single_fit_completed(self,result,pars,cpage,qmin,qmax,elapsed=None,
[4af20b4]	329	ymin=None, ymax=None, xmin=None, xmax=None):
[d89f09b]	330	"""
[3b19ac9]	331	Display fit result on one page of the notebook.
	332	@param result: result of fit
	333	@param pars: list of names of parameters fitted
	334	@param current_pg: the page where information will be displayed
	335	@param qmin: the minimum value of x to replot the model
	336	@param qmax: the maximum value of x to replot model
[d89f09b]	337
	338	"""
[f343069]	339
[89032bf]	340	#print "single fit ", pars,result.pvec,result.stderr,result.fitness
[f343069]	341	wx.PostEvent(self.parent, StatusEvent(status="Single fit \
[3215d32]	342	complete " , type="stop"))
[d89f09b]	343	try:
	344	for page, value in self.page_finder.iteritems():
[948add7]	345	if page==cpage :
[6f73a08]	346	#fitdata = value.get_data()
[d89f09b]	347	list = value.get_model()
	348	model= list[0]
	349	break
	350	i = 0
[8f83c90d]	351
[d89f09b]	352	for name in pars:
	353	if result.pvec.__class__==numpy.float64:
[1b07935d]	354	model.setParam(name,result.pvec)
[d89f09b]	355	else:
[1b07935d]	356	model.setParam(name,result.pvec[i])
[442895f]	357	# print "fitting: single fit", name, result.pvec[i]
[d89f09b]	358	i += 1
[26bf293]	359	print "fitting result : chisqr",result.fitness
	360	print "fitting result : pvec",result.pvec
	361	print "fitting result : stderr",result.stderr
[8f83c90d]	362
[948add7]	363	cpage.onsetValues(result.fitness, result.pvec,result.stderr)
[ef8b580]	364	#title="Fitted model 2D "
[4af20b4]	365	self.plot_helper(currpage=cpage,qmin=qmin,qmax=qmax,
	366	ymin=ymin, ymax=ymax,
[ef8b580]	367	xmin=xmin, xmax=xmax,title=None)
[d89f09b]	368	except:
[89032bf]	369	#raise
[060b857]	370	wx.PostEvent(self.parent, StatusEvent(status="Fitting error: %s" % sys.exc_value))
[c62dbbe]	371	return
[d89f09b]	372
[39a365d]	373	def _simul_fit_completed(self,result,qmin,qmax, elapsed,pars=None,cpage=None,
	374	xmin=None, xmax=None, ymin=None, ymax=None):
[d89f09b]	375	"""
	376	Parameter estimation completed,
	377	display the results to the user
	378	@param alpha: estimated best alpha
	379	@param elapsed: computation time
	380	"""
[3215d32]	381	if cpage!=None:
	382	self._single_fit_completed(result=result,pars=pars,cpage=cpage,
	383	qmin=qmin,qmax=qmax,
	384	ymin=ymin, ymax=ymax, xmin=xmin, xmax=xmax)
	385	return
	386	else:
	387	wx.PostEvent(self.parent, StatusEvent(status="Simultaneous fit \
	388	complete ", type="stop"))
	389	print "result",cpage,str(result),result.parameters,result.fitness,result.stderr
[d89f09b]	390
[3215d32]	391	try:
	392	for page, value in self.page_finder.iteritems():
	393	if value.get_scheduled()==1:
	394	#fitdata = value.get_data()
	395	list = value.get_model()
	396	model= list[0]
	397
	398	small_out = []
	399	small_cov = []
	400	i = 0
	401	#Separate result in to data corresponding to each page
	402	for p in result.parameters:
	403	model_name,param_name = self.split_string(p.name)
	404	if model.name == model_name:
	405	small_out.append(p.value )
[7ffe36b]	406	if p.stderr==None:
	407	p.stderr=numpy.nan
[3215d32]	408	small_cov.append(p.stderr)
	409	model.setParam(param_name,p.value)
	410	# Display result on each page
[7ffe36b]	411	#print "mmmm",p.value,p.stderr
[3215d32]	412	page.onsetValues(result.fitness, small_out,small_cov)
[7ffe36b]	413	#print "out,err",small_out,small_cov
[3215d32]	414	#Replot model
	415	self.plot_helper(currpage= page,qmin= qmin,qmax= qmax,
	416	xmin=xmin, xmax=xmax,
	417	ymin=ymin, ymax=ymax)
	418	except:
	419	wx.PostEvent(self.parent, StatusEvent(status="Simultaneous Fitting error: %s" % sys.exc_value))
[c62dbbe]	420	return
[e9b4cc4]	421
[4af20b4]	422	def _on_single_fit(self,id=None,qmin=None, qmax=None,ymin=None, ymax=None,xmin=None,xmax=None):
[d89f09b]	423	"""
	424	perform fit for the current page and return chisqr,out and cov
	425	@param engineName: type of fit to be performed
	426	@param id: unique id corresponding to a fit problem(model, set of data)
	427	@param model: model to fit
	428
	429	"""
[948add7]	430	#print "in single fitting"
[d89f09b]	431	#set an engine to perform fit
	432	from sans.fit.Fitting import Fit
	433	self.fitter= Fit(self._fit_engine)
[3b19ac9]	434	#Setting an id to store model and data in fit engine
[3215d32]	435	self.fit_id= 0
[202a7dc3]	436	if id!=None:
	437	self.fit_id= id
	438
[948add7]	439	page_fitted=None
	440	fit_problem=None
[3b19ac9]	441	#Get information (model , data) related to the page on
	442	#with the fit will be perform
[202a7dc3]	443	current_pg=self.fit_panel.get_current_page()
	444	simul_pg=self.fit_panel.GetPage(1 )
[14c707f]	445	pars=[]
[202a7dc3]	446	#for page, value in self.page_finder.iteritems():
	447	if current_pg!= simul_pg:
	448	# if value.get_scheduled() ==1 :
	449	value = self.page_finder[current_pg]
[2a8fac1]	450	metadata = value.get_fit_data()
[202a7dc3]	451	list = value.get_model()
	452	model = list[0]
	453	smearer= value.get_smearer()
[8f83c90d]	454
	455
[202a7dc3]	456	#Create list of parameters for fitting used
[e9b4cc4]	457
[202a7dc3]	458	templist=[]
	459	try:
	460	#templist=current_pg.get_param_list()
	461	templist=current_pg.get_param_list()
	462	for element in templist:
	463	pars.append(str(element[0].GetLabelText()))
	464	pars.sort()
	465	#Do the single fit
	466	self.fitter.set_model(Model(model), self.fit_id, pars)
	467	#print "args...:",metadata,self.fit_id,smearer,qmin,qmax,ymin,ymax
[8f83c90d]	468	dy=[]
	469	x=[]
	470	y=[]
[6e659ae8]	471	if metadata.__class__ in ["Data1D","Theory1D"]:
	472	for i in range(len(metadata.dy)):
	473	if metadata.dy[i] !=0:
	474	dy.append(metadata.dy[i])
	475	x.append(metadata.x[i])
	476	y.append(metadata.y[i])
	477	if len(dy)>0:
	478	metadata.dy=numpy.zeros(len(dy))
	479	metadata.dy=dy
	480	metadata.y=numpy.zeros(len(y))
	481	metadata.y=y
	482	metadata.x=numpy.zeros(len(x))
	483	metadata.x=x
[202a7dc3]	484	self.fitter.set_data(data=metadata,Uid=self.fit_id,
	485	smearer=smearer,qmin= qmin,qmax=qmax,
	486	ymin=ymin,ymax=ymax)
	487	self.fitter.select_problem_for_fit(Uid=self.fit_id,value=value.get_scheduled())
	488	page_fitted=current_pg
[3215d32]	489	#self.fit_id+=1
[202a7dc3]	490	#self.schedule_for_fit( 0,value)
	491	except:
[3215d32]	492	wx.PostEvent(self.parent, StatusEvent(status="Single Fit error: %s" % sys.exc_value))
[202a7dc3]	493	return
	494	# make sure to keep an alphabetic order
	495	#of parameter names in the list
	496	try:
	497	# If a thread is already started, stop it
	498	if self.calc_thread != None and self.calc_thread.isrunning():
	499	self.calc_thread.stop()
	500
	501	self.calc_thread =FitThread(parent =self.parent,
	502	fn= self.fitter,
	503	pars= pars,
	504	cpage= page_fitted,
	505	qmin=qmin,
	506	qmax=qmax,
	507
	508	completefn=self._single_fit_completed,
	509	updatefn=None)
	510	self.calc_thread.queue()
	511	self.calc_thread.ready(2.5)
	512	#while not self.done:
	513	#print "when here"
	514	# time.sleep(1)
	515
	516
	517	except:
	518	wx.PostEvent(self.parent, StatusEvent(status="Single Fit error: %s" % sys.exc_value))
	519	return
[d89f09b]	520
[9d31a8b]	521	def _on_simul_fit(self, id=None,qmin=None,qmax=None, ymin=None, ymax=None):
[d89f09b]	522	"""
	523	perform fit for all the pages selected on simpage and return chisqr,out and cov
	524	@param engineName: type of fit to be performed
	525	@param id: unique id corresponding to a fit problem(model, set of data)
	526	in park_integration
	527	@param model: model to fit
	528
	529	"""
	530	#set an engine to perform fit
	531	from sans.fit.Fitting import Fit
	532	self.fitter= Fit(self._fit_engine)
[3215d32]	533	self.fit_id= 0
[d89f09b]	534	#Setting an id to store model and data
[202a7dc3]	535	if id!=None:
	536	self.fit_id= id
	537
[3b19ac9]	538
[d89f09b]	539	for page, value in self.page_finder.iteritems():
	540	try:
[948add7]	541	if value.get_scheduled()==1:
[2a8fac1]	542	metadata = value.get_fit_data()
[3b19ac9]	543	list = value.get_model()
	544	model= list[0]
[d89f09b]	545	#Create dictionary of parameters for fitting used
[3215d32]	546	cpage= page
	547	print ""
[d89f09b]	548	pars = []
	549	templist = []
[3b19ac9]	550	templist = page.get_param_list()
[d89f09b]	551	for element in templist:
	552	try:
	553	name = str(element[0].GetLabelText())
	554	pars.append(name)
	555	except:
[3215d32]	556	wx.PostEvent(self.parent, StatusEvent(status="Simultaneous Fit error: %s" % sys.exc_value))
[d89f09b]	557	return
[c80c06f]	558	# need to check this print "new model "
[9e27de9]	559
[00561739]	560	new_model=Model(model)
[8e81af0]	561	param=value.get_model_param()
	562
	563	if len(param)>0:
	564	for item in param:
	565	param_value = item[1]
	566	param_name = item[0]
	567	#print "fitting ", param,param_name, param_value
	568
	569	#new_model.set( model.getParam(param_name[0])= param_value)
	570	#new_model.set( exec"%s=%s"%(param_name[0], param_value))
	571	#new_model.set( exec "%s"%(param_nam) = param_value)
	572	new_model.parameterset[ param_name].set( param_value )
[9e27de9]	573
	574	self.fitter.set_model(new_model, self.fit_id, pars)
[3215d32]	575	print "sim-->model",metadata,model,self.fit_id, pars
[6e659ae8]	576	dy=[]
	577	x=[]
	578	y=[]
	579	if metadata.__class__ in ["Data1D","Theory1D"]:
	580	for i in range(len(metadata.dy)):
	581	if metadata.dy[i] !=0:
	582	dy.append(metadata.dy[i])
	583	x.append(metadata.x[i])
	584	y.append(metadata.y[i])
	585	if len(dy)>0:
	586	metadata.dy=numpy.zeros(len(dy))
	587	metadata.dy=dy
	588	metadata.y=numpy.zeros(len(y))
	589	metadata.y=y
	590	metadata.x=numpy.zeros(len(x))
	591	metadata.x=x
[202a7dc3]	592	self.fitter.set_data(metadata,self.fit_id,qmin,qmax,ymin,ymax)
[14c707f]	593	print "sim---->value of problem",value.get_scheduled()
[202a7dc3]	594	self.fitter.select_problem_for_fit(Uid=self.fit_id,value=value.get_scheduled())
	595	self.fit_id += 1
[9e27de9]	596	value.clear_model_param()
[3215d32]	597	#self.schedule_for_fit( 0,value)
[d89f09b]	598	except:
[3215d32]	599	wx.PostEvent(self.parent, StatusEvent(status="Simultaneous Fit error: %s" % sys.exc_value))
[3b19ac9]	600	return
[dabb633]	601	#Do the simultaneous fit
[d89f09b]	602	try:
[e9b4cc4]	603	# If a thread is already started, stop it
	604	if self.calc_thread != None and self.calc_thread.isrunning():
	605	self.calc_thread.stop()
[3215d32]	606	if self.fit_id==1:
	607	self.calc_thread =FitThread(parent =self.parent,
	608	fn= self.fitter,
	609	qmin=qmin,
	610	qmax=qmax,
	611	ymin= ymin,
	612	ymax= ymax,
	613	cpage=cpage,
	614	pars= pars,
	615	completefn= self._simul_fit_completed,
	616	updatefn=None)
	617
	618	else:
	619	self.calc_thread =FitThread(parent =self.parent,
[e9b4cc4]	620	fn= self.fitter,
	621	qmin=qmin,
	622	qmax=qmax,
	623	ymin= ymin,
	624	ymax= ymax,
	625	completefn= self._simul_fit_completed,
	626	updatefn=None)
	627	self.calc_thread.queue()
	628	self.calc_thread.ready(2.5)
	629
[d89f09b]	630	except:
[3215d32]	631	wx.PostEvent(self.parent, StatusEvent(status="Simultaneous Fit error: %s" % sys.exc_value))
[d89f09b]	632	return
[3b19ac9]	633
	634
	635	def _onset_engine(self,event):
	636	""" set engine to scipy"""
	637	if self._fit_engine== 'park':
	638	self._on_change_engine('scipy')
	639	else:
	640	self._on_change_engine('park')
	641	wx.PostEvent(self.parent, StatusEvent(status="Engine set to: %s" % self._fit_engine))
	642
	643
[d89f09b]	644	def _on_change_engine(self, engine='park'):
	645	"""
	646	Allow to select the type of engine to perform fit
	647	@param engine: the key work of the engine
	648	"""
	649	self._fit_engine = engine
	650
	651
	652	def _on_model_panel(self, evt):
	653	"""
	654	react to model selection on any combo box or model menu.plot the model
	655	"""
[e1a310f]	656
[d89f09b]	657	model = evt.model
	658	name = evt.name
[32d802f]	659
[264df67]	660	print "name fitting", name
[94999eb]	661	sim_page=self.fit_panel.GetPage(1)
[d89f09b]	662	current_pg = self.fit_panel.get_current_page()
	663	if current_pg != sim_page:
	664	current_pg.set_panel(model)
[ef8b580]	665	#model.name = self.page_finder[current_pg].get_name()
	666	#print "model name", model.name
	667	model.name="M"+str(self.index_model)
[d89f09b]	668	try:
[bcd6d51]	669	metadata=self.page_finder[current_pg].get_data()
[264df67]	670	M_name=model.name+"= "+name+"("+metadata.group_id+")"
[ef8b580]	671	except:
	672	M_name=model.name+"= "+name
[d89f09b]	673	self.index_model += 1
[ef8b580]	674
	675
[6bcdad1]	676	# save model name
[442895f]	677
[6bcdad1]	678	# save the name containing the data name with the appropriate model
[1b07935d]	679	self.page_finder[current_pg].set_model(model,M_name)
[d89f09b]	680	self.plot_helper(currpage= current_pg,qmin= None,qmax= None)
	681	sim_page.add_model(self.page_finder)
	682
[08b9c6c8]	683	def set_smearer(self,smearer):
	684	current_pg=self.fit_panel.get_current_page()
	685	self.page_finder[current_pg].set_smearer(smearer)
	686
[d89f09b]	687	def redraw_model(self,qmin= None,qmax= None):
	688	"""
	689	Draw a theory according to model changes or data range.
	690	@param qmin: the minimum value plotted for theory
	691	@param qmax: the maximum value plotted for theory
	692	"""
	693	current_pg=self.fit_panel.get_current_page()
	694	for page, value in self.page_finder.iteritems():
	695	if page ==current_pg :
	696	break
	697	self.plot_helper(currpage=page,qmin= qmin,qmax= qmax)
	698
[89032bf]	699	def plot_helper(self,currpage, fitModel=None, qmin=None,qmax=None,
[4af20b4]	700	ymin=None,ymax=None, xmin=None, xmax=None,title=None ):
[d89f09b]	701	"""
	702	Plot a theory given a model and data
	703	@param model: the model from where the theory is derived
	704	@param currpage: page in a dictionary referring to some data
	705	"""
[26bf293]	706	if self.fit_panel.GetPageCount() >1:
[d89f09b]	707	for page in self.page_finder.iterkeys():
	708	if page==currpage :
[2a8fac1]	709	data=self.page_finder[page].get_plotted_data()
[bcd6d51]	710	list=self.page_finder[page].get_model()
	711	model=list[0]
[d89f09b]	712	break
[26bf293]	713	print "model in fitting",model
[693ab78]	714	if data!=None and data.__class__.__name__ != 'Data2D':
[d89f09b]	715	theory = Theory1D(x=[], y=[])
[6bcdad1]	716	theory.name = model.name
[d89f09b]	717	theory.group_id = data.group_id
[ef8b580]	718	"""
[264df67]	719	if hasattr(data, "id"):
	720	import string
	721	if string.find("Model",data.id )!=None:
	722	#allow plotting on the same panel
	723	theory.id =str(data.id )+" "+str(self.index_theory)
	724	self.index_theory +=1
	725	else:
[ef8b580]	726	"""
	727	theory.id = "Model"
[264df67]	728
[d89f09b]	729	x_name, x_units = data.get_xaxis()
	730	y_name, y_units = data.get_yaxis()
	731	theory.xaxis(x_name, x_units)
	732	theory.yaxis(y_name, y_units)
	733	if qmin == None :
	734	qmin = min(data.x)
	735	if qmax == None :
[4af20b4]	736	qmax = max(data.x)
[d89f09b]	737	try:
	738	tempx = qmin
[1b07935d]	739	tempy = model.run(qmin)
[d89f09b]	740	theory.x.append(tempx)
	741	theory.y.append(tempy)
	742	except :
	743	wx.PostEvent(self.parent, StatusEvent(status="fitting \
	744	skipping point x %g %s" %(qmin, sys.exc_value)))
	745
	746	for i in range(len(data.x)):
	747	try:
[f69bc394]	748	if data.x[i]> qmin and data.x[i]< qmax:
[d89f09b]	749	tempx = data.x[i]
[1b07935d]	750	tempy = model.run(tempx)
[d89f09b]	751	theory.x.append(tempx)
	752	theory.y.append(tempy)
[04edd0d]	753
[d89f09b]	754	except:
	755	wx.PostEvent(self.parent, StatusEvent(status="fitting \
	756	skipping point x %g %s" %(data.x[i], sys.exc_value)))
	757	try:
	758	tempx = qmax
[1b07935d]	759	tempy = model.run(qmax)
[d89f09b]	760	theory.x.append(tempx)
	761	theory.y.append(tempy)
	762	except:
[00561739]	763	wx.PostEvent(self.parent, StatusEvent(status="fitting \
[32d802f]	764	skipping point x %g %s" %(qmin, sys.exc_value)) )
	765	wx.PostEvent(self.parent, NewPlotEvent(plot=theory,
	766	title=str(data.name)))
[6f73a08]	767	else:
[89032bf]	768
[dc317d1]	769	theory=Data2D(data.data, data.err_data)
[6bcdad1]	770	theory.name= model.name
[89032bf]	771	if title !=None:
	772	self.title = title
	773	theory.id= self.title
	774	theory.group_id= self.title+data.name
	775	else:
	776	self.title= "Analytical model 2D "
	777	theory.id= "Model"
	778	theory.group_id= "Model"+data.name
[6f73a08]	779	theory.x_bins= data.x_bins
	780	theory.y_bins= data.y_bins
	781	tempy=[]
[22210ef]	782	#print "max x,y",max(data.xmax,data.xmin),max(data.ymax,data.ymin)
[17fc6f8]	783	if qmin==None:
[bd82069]	784	qmin=0#min(math.fabs(data.xmax),math.fabs(data.ymin))
[17fc6f8]	785	if qmax==None:
[4af20b4]	786	qmax=math.sqrt(math.pow(max(math.fabs(data.xmax),math.fabs(data.xmin)),2)/
	787	+math.pow(max(math.fabs(data.ymax),math.fabs(data.ymin)),2))
[17fc6f8]	788	if ymin==None:
	789	ymin=data.ymin
	790	if ymax==None:
	791	ymax=data.ymax
[4af20b4]	792	if xmin ==None:
	793	xmin=data.xmin
	794	if xmax==None:
[f69bc394]	795	xmax=data.xmax
	796
[57668f8]	797	theory.data = numpy.zeros((len(data.y_bins),len(data.x_bins)))
[4af20b4]	798	for j in range(len(data.y_bins)):
	799	for i in range(len(data.x_bins)):
	800	tempqij=math.sqrt((math.pow(data.y_bins[j],2)+math.pow(data.x_bins[i],2)))
[bd82069]	801	if tempqij>= qmin and tempqij<= qmax:
	802	theory.data[j][i]=model.runXY([data.y_bins[j],data.x_bins[i]])
	803	else:
	804	theory.data[j][i]=0 #None # Later, We need to decide which of 0 and None is better.
[f69bc394]	805	#print "len(data.x_bins),len(data.y_bins);",len(data.x_bins),len(data.y_bins),qmax
[44bbf6a]	806	#print "fitting : plot_helper:", theory.image
[2dbb681]	807	#print "fitting : plot_helper:",theory.image
[1f62278]	808	theory.detector= data.detector
	809	theory.source= data.source
[22210ef]	810
[d0eac66]	811	theory.qmin= qmin
	812	theory.qmax= qmax
[4274c0e]	813	theory.ymin= ymin
	814	theory.ymax= ymax
[d0eac66]	815	theory.xmin= xmin
	816	theory.xmax= xmax
[04edd0d]	817
[32d802f]	818	wx.PostEvent(self.parent, NewPlotEvent(plot=theory,
[89032bf]	819	title=self.title +str(data.name)))
[6f73a08]	820
	821
[d89f09b]	822	def _on_model_menu(self, evt):
	823	"""
	824	Plot a theory from a model selected from the menu
	825	"""
[86c1832]	826	name = evt.model.__name__
	827	if hasattr(evt.model, "name"):
	828	name = evt.model.name
[32d802f]	829	print "on model menu", name
[b2c3225]	830	model=evt.model()
[2dbb681]	831	description=model.description
[3dc83be]	832
	833	# Create a model page. If a new page is created, the model
	834	# will be plotted automatically. If a page already exists,
	835	# the content will be updated and the plot refreshed
	836	self.fit_panel.add_model_page(model,description,name,topmenu=True)
[1b07935d]	837
[26bf293]	838	def draw_model(self,model,name ,data=None,description=None,enable1D=True, enable2D=False,
[cfc68540]	839	qmin=DEFAULT_QMIN, qmax=DEFAULT_QMAX, qstep=DEFAULT_NPTS):
[3b19ac9]	840	"""
	841	draw model with default data value
	842	"""
[26bf293]	843	if data !=None:
	844	self.redraw_model(qmin,qmax)
	845	return
[2a8fac1]	846	self._draw_model1D(model,name,model.description, enable1D,qmin,qmax, qstep)
[d74d751]	847	self._draw_model2D(model=model,
	848	description=model.description,
	849	enable2D= enable2D,
	850	qmin=qmin,
	851	qmax=qmax,
[c48a26a]	852	qstep=qstep)
[2a8fac1]	853
[cfc68540]	854
	855	def _draw_model1D(self,model,name,description=None, enable1D=True,
	856	qmin=DEFAULT_QMIN, qmax=DEFAULT_QMAX, qstep=DEFAULT_NPTS):
[e5a9e32]	857
[d250f7d]	858	if enable1D:
[d15c0202]	859	x= numpy.linspace(start= qmin,
	860	stop= qmax,
	861	num= qstep,
	862	endpoint=True
	863	)
[f39511b]	864	xlen= len(x)
	865	y = numpy.zeros(xlen)
[d250f7d]	866	if not enable1D:
[f39511b]	867	for i in range(xlen):
	868	y[i] = model.run(x[i])
[d15c0202]	869
[f39511b]	870	try:
	871	new_plot = Theory1D(x, y)
[32d802f]	872
[86c1832]	873	new_plot.name = name
[f39511b]	874	new_plot.xaxis("\\rm{Q}", 'A^{-1}')
	875	new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
[6bcdad1]	876	new_plot.id = "Model"
	877	new_plot.group_id ="Model"
[f39511b]	878	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Analytical model 1D"))
	879	except:
[32d802f]	880	wx.PostEvent(self.parent, StatusEvent(status="Draw model 1D error: %s" % sys.exc_value))
	881	#raise
[f39511b]	882	else:
	883	for i in range(xlen):
[2a8fac1]	884	y[i] = model.run(x[i])
[f39511b]	885	try:
	886	new_plot = Theory1D(x, y)
[32d802f]	887	print "draw model 1D", name
[86c1832]	888	new_plot.name = name
[f39511b]	889	new_plot.xaxis("\\rm{Q}", 'A^{-1}')
	890	new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
[6bcdad1]	891	new_plot.id ="Model"
	892	new_plot.group_id ="Model"
[3dc83be]	893
	894	# Pass the reset flag to let the plotting event handler
	895	# know that we are replacing the whole plot
[6bcdad1]	896	wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
[3dc83be]	897	title="Analytical model 1D ", reset=True ))
[f39511b]	898
	899	except:
[32d802f]	900	#raise
	901	wx.PostEvent(self.parent, StatusEvent(status="Draw model 1D error: %s" % sys.exc_value))
[e9b4cc4]	902	def update(self, output,time):
	903	pass
[20be946]	904
[b2c6d23]	905	def complete(self, output, elapsed, model, qmin, qmax,qstep=DEFAULT_NPTS):
[26bf293]	906
[20be946]	907	wx.PostEvent(self.parent, StatusEvent(status="Calc \
[2a8fac1]	908	complete !" , type="stop"))
[d15c0202]	909	#print "complete",output, model,qmin, qmax
[20be946]	910	data = output
[13e120a]	911	temp= numpy.zeros(numpy.shape(data))
	912	temp[temp==0]=1
	913	theory= Data2D(image=data, err_image=temp)
	914
[d15c0202]	915	from DataLoader.data_info import Detector, Source
	916
	917	detector = Detector()
	918	theory.detector=[]
[7b758fd]	919	theory.detector.append(detector)
[d15c0202]	920
[ac2cc940]	921	theory.detector[0].distance=1e+32#13705.0
[d15c0202]	922	theory.source= Source()
[ac2cc940]	923	theory.source.wavelength=2*math.pi/1e+32#8.4
[13e120a]	924	theory.x_bins =[]
	925	theory.y_bins =[]
[ac2cc940]	926	#Now qmax is xmax.
	927	xmax=2theory.detector[0].distancemath.atan(qmax/(4*math.pi/theory.source.wavelength))
	928	theory.detector[0].pixel_size.x= xmax/(qstep/2-0.5)#5.0
	929	theory.detector[0].pixel_size.y= xmax/(qstep/2-0.5)#5.0
	930	theory.detector[0].beam_center.x= qmax
	931	theory.detector[0].beam_center.y= qmax
	932	#print "xmax,qmax",xmax,qmax
[13e120a]	933	# compute x_bins and y_bins
	934	# Qx and Qy vectors
	935
	936	distance = theory.detector[0].distance
	937	pixel = qstep/2-1
[7b758fd]	938	theta = pixel / distance / qstep#100.0
[13e120a]	939	wavelength = theory.source.wavelength
	940	pixel_width_x = theory.detector[0].pixel_size.x
	941	pixel_width_y = theory.detector[0].pixel_size.y
	942	center_x = theory.detector[0].beam_center.x/pixel_width_x
	943	center_y = theory.detector[0].beam_center.y/pixel_width_y
[d15c0202]	944
[13e120a]	945
	946	size_x, size_y= numpy.shape(theory.data)
[ac2cc940]	947	#print "size_x,size_y",size_x, size_y
[7b758fd]	948	#This case, q and x are equivalent to each other.
[13e120a]	949	for i_x in range(size_x):
[ac2cc940]	950	theta = (i_x-center_x)*pixel_width_x / distance #/ size_x#100.0
	951	qx = 4.0math.pi/wavelength math.tan(theta/2.0)
[13e120a]	952	theory.x_bins.append(qx)
	953	for i_y in range(size_y):
[ac2cc940]	954	theta = (i_y-center_y)*pixel_width_y / distance #/ size_y#100.0
	955	qy =4.0math.pi/wavelength math.tan(theta/2.0)
[13e120a]	956	theory.y_bins.append(qy)
	957
	958	#theory.err_data= numpy.
[20be946]	959	theory.name= model.name
	960	theory.group_id ="Model"
	961	theory.id ="Model"
[22210ef]	962
	963
	964
[f69bc394]	965	theory.xmin= -qmax#/math.sqrt(2)#You can not do sqrt(2), that changes axis scale not data itself
	966	theory.xmax= qmax#/math.sqrt(2)
	967	theory.ymin= -qmax#/math.sqrt(2)
	968	theory.ymax= qmax#/math.sqrt(2)
[b2c6d23]	969
[2a8fac1]	970	#print "model draw comptele xmax",theory.xmax,model.name
[20be946]	971	wx.PostEvent(self.parent, NewPlotEvent(plot=theory,
[32d802f]	972	title="Analytical model 2D ", reset=True ))
[20be946]	973
	974
	975
[cfc68540]	976	def _draw_model2D(self,model,description=None, enable2D=False,
	977	qmin=DEFAULT_QMIN, qmax=DEFAULT_QMAX, qstep=DEFAULT_NPTS):
[2a8fac1]	978
[d15c0202]	979	x= numpy.linspace(start= -1*qmax,
	980	stop= qmax,
	981	num= qstep,
	982	endpoint=True )
	983	y = numpy.linspace(start= -1*qmax,
	984	stop= qmax,
	985	num= qstep,
	986	endpoint=True )
	987
[dc317d1]	988	lx = len(x)
[1c5b068]	989	#print x
[2a8fac1]	990	#data=numpy.zeros([len(x),len(y)])
[20be946]	991	self.model= model
[dc317d1]	992	if enable2D:
[2a8fac1]	993	try:
	994	from sans.guiframe.model_thread import Calc2D
	995	print "in draw model 2d ",self.model
	996	self.calc_thread = Calc2D(parent =self.parent,x=x,
	997	y=y,model= self.model,
	998	qmin=qmin,
	999	qmax=qmax,
	1000	qstep=qstep,
	1001	completefn=self.complete,
	1002	updatefn=None)
	1003	self.calc_thread.queue()
	1004	self.calc_thread.ready(2.5)
	1005	except:
	1006	raise
[89032bf]	1007
	1008	def show_panel2D(self, id=None ):
[32d802f]	1009	self.parent.show_panel(self.model2D_id)
[20be946]	1010
[db709e4]	1011
[d89f09b]	1012	if __name__ == "__main__":
	1013	i = Plugin()
	1014
	1015
	1016
	1017

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SasView

source: sasview/sansview/perspectives/fitting/fitting.py @ 8bd764d

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