inversion_panel.py @ d619341

Last change on this file since d619341 was 18b7ecb9, checked in by Piotr Rozyczko <rozyczko@…>, 8 years ago
Save Analysis improvements. Fixed #629
Property mode set to `100644`
File size: 38.1 KB

Rev	Line
[18b7ecb9]	1	#!/usr/bin/env python
	2
	3	# version
	4	__id__ = "$Id: aboutdialog.py 1193 2007-05-03 17:29:59Z dmitriy $"
	5	__revision__ = "$Revision: 1193 $"
	6
	7	import wx
	8	import os
	9	import sys
	10	import logging
	11	from wx.lib.scrolledpanel import ScrolledPanel
	12	from sas.sasgui.guiframe.events import StatusEvent
	13	from sas.sasgui.guiframe.panel_base import PanelBase
	14	from inversion_state import InversionState
	15	from pr_widgets import PrTextCtrl
	16	from pr_widgets import DataFileTextCtrl
	17	from pr_widgets import OutputTextCtrl
	18	from sas.sasgui.guiframe.documentation_window import DocumentationWindow
	19
	20	if sys.platform.count("win32") > 0:
	21	FONT_VARIANT = 0
	22	else:
	23	FONT_VARIANT = 1
	24
	25	class InversionControl(ScrolledPanel, PanelBase):
	26	"""
	27	"""
	28	window_name = 'pr_control'
	29	window_caption = "P(r) control panel"
	30	CENTER_PANE = True
	31
	32	# Figure of merit parameters [default]
	33
	34	## Oscillation parameters (sin function = 1.1)
	35	oscillation_max = 1.5
	36
	37	def __init__(self, parent, id=-1, plots=None, **kwargs):
	38	"""
	39	"""
	40	ScrolledPanel.__init__(self, parent, id=id, **kwargs)
	41	PanelBase.__init__(self, parent)
	42	self.SetupScrolling()
	43	#Set window's font size
	44	self.SetWindowVariant(variant=FONT_VARIANT)
	45	self._set_analysis(False)
	46
	47	self.plots = plots
	48	self.radio_buttons = {}
	49	self.parent = parent.parent
	50
	51	## Data file TextCtrl
	52	self.data_file = None
	53	self.plot_data = None
	54	self.nfunc_ctl = None
	55	self.alpha_ctl = None
	56	self.dmax_ctl = None
	57	self.time_ctl = None
	58	self.chi2_ctl = None
	59	self.osc_ctl = None
	60	self.file_radio = None
	61	self.plot_radio = None
	62	self.label_sugg = None
	63	self.qmin_ctl = None
	64	self.qmax_ctl = None
	65	self.swidth_ctl = None
	66	self.sheight_ctl = None
	67
	68	self.rg_ctl = None
	69	self.iq0_ctl = None
	70	self.bck_chk = None
	71	self.bck_ctl = None
	72
	73	# TextCtrl for fraction of positive P(r)
	74	self.pos_ctl = None
	75
	76	# TextCtrl for fraction of 1 sigma positive P(r)
	77	self.pos_err_ctl = None
	78
	79	## Estimates
	80	self.alpha_estimate_ctl = None
	81	self.nterms_estimate_ctl = None
	82	## D_max distance explorator
	83	self.distance_explorator_ctl = None
	84	## Data manager
	85	self._manager = None
	86	## Default file location for save
	87	self._default_save_location = os.getcwd()
	88	if self.parent is not None:
	89	self._default_save_location = \
	90	self.parent._default_save_location
	91
	92	# Default width
	93	self._default_width = 350
	94	self._do_layout()
	95
	96	def __setattr__(self, name, value):
	97	"""
	98	Allow direct hooks to text boxes
	99	"""
	100	if name == 'nfunc':
	101	self.nfunc_ctl.SetValue(str(int(value)))
	102	elif name == 'd_max':
	103	self.dmax_ctl.SetValue(str(value))
	104	elif name == 'alpha':
	105	self.alpha_ctl.SetValue(str(value))
	106	elif name == 'chi2':
	107	self.chi2_ctl.SetValue("%-5.2g" % value)
	108	elif name == 'bck':
	109	self.bck_ctl.SetValue("%-5.2g" % value)
	110	elif name == 'q_min':
	111	self.qmin_ctl.SetValue("%-5.2g" % value)
	112	elif name == 'q_max':
	113	self.qmax_ctl.SetValue("%-5.2g" % value)
	114	elif name == 'elapsed':
	115	self.time_ctl.SetValue("%-5.2g" % value)
	116	elif name == 'rg':
	117	self.rg_ctl.SetValue("%-5.2g" % value)
	118	elif name == 'iq0':
	119	self.iq0_ctl.SetValue("%-5.2g" % value)
	120	elif name == 'oscillation':
	121	self.osc_ctl.SetValue("%-5.2g" % value)
	122	elif name == 'slit_width':
	123	self.swidth_ctl.SetValue("%-5.2g" % value)
	124	elif name == 'slit_height':
	125	self.sheight_ctl.SetValue("%-5.2g" % value)
	126	elif name == 'positive':
	127	self.pos_ctl.SetValue("%-5.2g" % value)
	128	elif name == 'pos_err':
	129	self.pos_err_ctl.SetValue("%-5.2g" % value)
	130	elif name == 'alpha_estimate':
	131	self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
	132	self.alpha_estimate_ctl.Enable(True)
	133	self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
	134	#self.alpha_estimate_ctl.Show()
	135	#self.label_sugg.Show()
	136	elif name == 'nterms_estimate':
	137	self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
	138	self.nterms_estimate_ctl.Enable(True)
	139	self.nterms_estimate_ctl.SetLabel("%-g" % value)
	140	elif name == 'plotname':
	141	self.plot_data.SetValue(str(value))
	142	self._on_pars_changed(None)
	143	elif name == 'datafile':
	144	self.plot_data.SetValue(str(value))
	145	self._on_pars_changed(None)
	146	else:
	147	wx.Panel.__setattr__(self, name, value)
	148
	149	def __getattr__(self, name):
	150	"""
	151	Allow direct hooks to text boxes
	152	"""
	153	if name == 'nfunc':
	154	try:
	155	return int(self.nfunc_ctl.GetValue())
	156	except:
	157	return -1
	158	elif name == 'd_max':
	159	try:
	160	return self.dmax_ctl.GetValue()
	161	except:
	162	return -1.0
	163	elif name == 'alpha':
	164	try:
	165	return self.alpha_ctl.GetValue()
	166	except:
	167	return -1.0
	168	elif name == 'chi2':
	169	try:
	170	return float(self.chi2_ctl.GetValue())
	171	except:
	172	return None
	173	elif name == 'bck':
	174	try:
	175	return float(self.bck_ctl.GetValue())
	176	except:
	177	return None
	178	elif name == 'q_min':
	179	try:
	180	return float(self.qmin_ctl.GetValue())
	181	except:
	182	return 0.0
	183	elif name == 'q_max':
	184	try:
	185	return float(self.qmax_ctl.GetValue())
	186	except:
	187	return 0.0
	188	elif name == 'elapsed':
	189	try:
	190	return float(self.time_ctl.GetValue())
	191	except:
	192	return None
	193	elif name == 'rg':
	194	try:
	195	return float(self.rg_ctl.GetValue())
	196	except:
	197	return None
	198	elif name == 'iq0':
	199	try:
	200	return float(self.iq0_ctl.GetValue())
	201	except:
	202	return None
	203	elif name == 'oscillation':
	204	try:
	205	return float(self.osc_ctl.GetValue())
	206	except:
	207	return None
	208	elif name == 'slit_width':
	209	try:
	210	return float(self.swidth_ctl.GetValue())
	211	except:
	212	return None
	213	elif name == 'slit_height':
	214	try:
	215	return float(self.sheight_ctl.GetValue())
	216	except:
	217	return None
	218	elif name == 'pos':
	219	try:
	220	return float(self.pos_ctl.GetValue())
	221	except:
	222	return None
	223	elif name == 'pos_err':
	224	try:
	225	return float(self.pos_err_ctl.GetValue())
	226	except:
	227	return None
	228	elif name == 'alpha_estimate':
	229	try:
	230	return float(self.alpha_estimate_ctl.GetLabel())
	231	except:
	232	return None
	233	elif name == 'nterms_estimate':
	234	try:
	235	return int(self.nterms_estimate_ctl.GetLabel())
	236	except:
	237	return None
	238	elif name == 'plotname':
	239	return self.plot_data.GetValue()
	240	elif name == 'datafile':
	241	return self.plot_data.GetValue()
	242	else:
	243	return wx.Panel.__getattribute__(self, name)
	244
	245	def save_project(self, doc=None):
	246	"""
	247	return an xml node containing state of the panel
	248	that guiframe can write to file
	249	"""
	250	data = self.get_data()
	251	state = self.get_state()
	252	if data is not None:
	253	new_doc = self._manager.state_reader.write_toXML(data, state)
	254	if new_doc is not None:
	255	if doc is not None and hasattr(doc, "firstChild"):
	256	child = new_doc.getElementsByTagName("SASentry")
	257	for item in child:
	258	doc.firstChild.appendChild(item)
	259	else:
	260	doc = new_doc
	261	return doc
	262
	263	def on_save(self, evt=None):
	264	"""
	265	Method used to create a memento of the current state
	266
	267	:return: state object
	268	"""
	269	# Ask the user the location of the file to write to.
	270	path = None
	271	if self.parent != None:
	272	self._default_save_location = self.parent._default_save_location
	273	dlg = wx.FileDialog(self, "Choose a file",
	274	self._default_save_location,
	275	self.window_caption, "*.prv", wx.SAVE)
	276	if dlg.ShowModal() == wx.ID_OK:
	277	path = dlg.GetPath()
	278	self._default_save_location = os.path.dirname(path)
	279	if self.parent != None:
	280	self.parent._default_save_location = self._default_save_location
	281	else:
	282	return None
	283
	284	dlg.Destroy()
	285
	286	state = self.get_state()
	287
	288	# MAC always needs the extension for saving
	289	extens = ".prv"
	290	# Make sure the ext included in the file name
	291	fName = os.path.splitext(path)[0] + extens
	292	self._manager.save_data(filepath=fName, prstate=state)
	293
	294	return state
	295
	296	def get_data(self):
	297	"""
	298	"""
	299	return self._manager.get_data()
	300
	301	def get_state(self):
	302	"""
	303	Get the current state
	304
	305	: return: state object
	306	"""
	307	# Construct the state object
	308	state = InversionState()
	309
	310	# Read the panel's parameters
	311	flag, alpha, dmax, nfunc, qmin, \
	312	qmax, height, width = self._read_pars()
	313
	314	state.nfunc = nfunc
	315	state.d_max = dmax
	316	state.alpha = alpha
	317	state.qmin = qmin
	318	state.qmax = qmax
	319	state.width = width
	320	state.height = height
	321
	322	# Data file
	323	state.file = self.plot_data.GetValue()
	324
	325	# Background evaluation checkbox
	326	state.estimate_bck = self.bck_chk.IsChecked()
	327
	328	# Estimates
	329	state.nterms_estimate = self.nterms_estimate
	330	state.alpha_estimate = self.alpha_estimate
	331
	332	# Read the output values
	333	state.chi2 = self.chi2
	334	state.elapsed = self.elapsed
	335	state.osc = self.oscillation
	336	state.pos = self.pos
	337	state.pos_err = self.pos_err
	338	state.rg = self.rg
	339	state.iq0 = self.iq0
	340	state.bck = self.bck
	341
	342	return state
	343
	344	def set_state(self, state):
	345	"""
	346	Set the state of the panel and inversion problem to
	347	the state passed as a parameter.
	348	Execute the inversion immediately after filling the
	349	controls.
	350
	351	:param state: InversionState object
	352	"""
	353	if state.nfunc is not None:
	354	self.nfunc = state.nfunc
	355	if state.d_max is not None:
	356	self.d_max = state.d_max
	357	if state.alpha is not None:
	358	self.alpha = state.alpha
	359	if state.qmin is not None:
	360	self.q_min = state.qmin
	361	if state.qmax is not None:
	362	self.q_max = state.qmax
	363	if state.width is not None:
	364	self.slit_width = state.width
	365	if state.height is not None:
	366	self.slit_height = state.height
	367
	368	# Data file
	369	self.plot_data.SetValue(str(state.file))
	370
	371	# Background evaluation checkbox
	372	self.bck_chk.SetValue(state.estimate_bck)
	373
	374	# Estimates
	375	if state.nterms_estimate is not None:
	376	self.nterms_estimate = state.nterms_estimate
	377	if state.alpha_estimate is not None:
	378	self.alpha_estimate = state.alpha_estimate
	379
	380
	381	# Read the output values
	382	if state.chi2 is not None:
	383	self.chi2 = state.chi2
	384	if state.elapsed is not None:
	385	self.elapsed = state.elapsed
	386	if state.osc is not None:
	387	self.oscillation = state.osc
	388	if state.pos is not None:
	389	self.positive = state.pos
	390	if state.pos_err is not None:
	391	self.pos_err = state.pos_err
	392	if state.rg is not None:
	393	self.rg = state.rg
	394	if state.iq0 is not None:
	395	self.iq0 = state.iq0
	396	if state.bck is not None:
	397	self.bck = state.bck
	398
	399	# We have the data available for serialization
	400	self._set_analysis(True)
	401
	402	# Perform inversion
	403	self._on_invert(None)
	404
	405	def set_manager(self, manager):
	406	self._manager = manager
	407	if manager is not None:
	408	self._set_analysis(False)
	409
	410	def _do_layout(self):
	411	vbox = wx.GridBagSizer(0, 0)
	412	iy_vb = 0
	413
	414	# ----- I(q) data -----
	415	databox = wx.StaticBox(self, -1, "I(q) data source")
	416
	417	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
	418	boxsizer1.SetMinSize((self._default_width, 50))
	419	pars_sizer = wx.GridBagSizer(5, 5)
	420
	421	iy = 0
	422	self.file_radio = wx.StaticText(self, -1, "Name:")
	423	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
	424	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	425
	426	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
	427
	428	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
	429	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
	430
	431	self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
	432	hint_msg = "Check box to let the fit estimate "
	433	hint_msg += "the constant background level."
	434	self.bck_chk.SetToolTipString(hint_msg)
	435	self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
	436	iy += 1
	437	pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
	438	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	439	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
	440	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
	441	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
	442
	443	# ----- Add slit parameters -----
	444	if True:
	445	sbox = wx.StaticBox(self, -1, "Slit parameters")
	446	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
	447	sboxsizer.SetMinSize((self._default_width, 20))
	448
	449	sizer_slit = wx.GridBagSizer(5, 5)
	450
	451	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
	452	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
	453	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
	454	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	455	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	456	hint_msg = "Enter slit height in units of Q or leave blank."
	457	self.sheight_ctl.SetToolTipString(hint_msg)
	458	hint_msg = "Enter slit width in units of Q or leave blank."
	459	self.swidth_ctl.SetToolTipString(hint_msg)
	460
	461	iy = 0
	462	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	463	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	464	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	465	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	466	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	467
	468	sboxsizer.Add(sizer_slit, wx.TOP, 15)
	469	iy_vb += 1
	470	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
	471	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	472
	473	# ----- Q range -----
	474	qbox = wx.StaticBox(self, -1, "Q range")
	475	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
	476	qboxsizer.SetMinSize((self._default_width, 20))
	477
	478	sizer_q = wx.GridBagSizer(5, 5)
	479
	480	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
	481	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
	482	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
	483	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	484	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	485	hint_msg = "Select a lower bound for Q or leave blank."
	486	self.qmin_ctl.SetToolTipString(hint_msg)
	487	hint_msg = "Select an upper bound for Q or leave blank."
	488	self.qmax_ctl.SetToolTipString(hint_msg)
	489	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
	490	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
	491
	492	iy = 0
	493	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	494	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	495	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	496	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	497	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	498	qboxsizer.Add(sizer_q, wx.TOP, 15)
	499
	500	iy_vb += 1
	501	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
	502	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	503
	504	# ----- Parameters -----
	505	parsbox = wx.StaticBox(self, -1, "Parameters")
	506	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
	507	boxsizer2.SetMinSize((self._default_width, 50))
	508
	509	explanation = "P(r) is found by fitting a set of base functions"
	510	explanation += " to I(Q). The minimization involves"
	511	explanation += " a regularization term to ensure a smooth P(r)."
	512	explanation += " The regularization constant gives the size of that "
	513	explanation += "term. The suggested value is the value above which the"
	514	explanation += " output P(r) will have only one peak."
	515	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
	516	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
	517
	518	label_nfunc = wx.StaticText(self, -1, "Number of terms")
	519	label_nfunc.SetMinSize((120, 20))
	520	label_alpha = wx.StaticText(self, -1, "Regularization constant")
	521	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
	522	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
	523
	524	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	525	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
	526	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	527	hint_msg = "Control parameter for the size of the regularization term."
	528	self.alpha_ctl.SetToolTipString(hint_msg)
	529	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	530	hint_msg = "Maximum distance between any two points in the system."
	531	self.dmax_ctl.SetToolTipString(hint_msg)
	532	wx_id = wx.NewId()
	533	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
	534	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
	535	self.alpha_estimate_ctl.Enable(False)
	536	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
	537
	538	wx_id = wx.NewId()
	539	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
	540	#self.nterms_estimate_ctl.Hide()
	541	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
	542	self.nterms_estimate_ctl.Enable(False)
	543
	544	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
	545
	546	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
	547	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
	548	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
	549
	550	# Distance explorator
	551	wx_id = wx.NewId()
	552	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
	553	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
	554
	555
	556	sizer_params = wx.GridBagSizer(5, 5)
	557
	558	iy = 0
	559	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
	560	iy += 1
	561	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
	562	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	563	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
	564	iy += 1
	565	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
	566	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	567	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
	568	iy += 1
	569	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
	570	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	571	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
	572	(1, 1), wx.LEFT, 15)
	573
	574	boxsizer2.Add(sizer_params, 0)
	575
	576	iy_vb += 1
	577	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
	578	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	579
	580
	581	# ----- Results -----
	582	resbox = wx.StaticBox(self, -1, "Outputs")
	583	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
	584	ressizer.SetMinSize((self._default_width, 50))
	585
	586	label_rg = wx.StaticText(self, -1, "Rg")
	587	label_rg_unit = wx.StaticText(self, -1, "[A]")
	588	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
	589	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
	590	label_bck = wx.StaticText(self, -1, "Background")
	591	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
	592	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	593	hint_msg = "Radius of gyration for the computed P(r)."
	594	self.rg_ctl.SetToolTipString(hint_msg)
	595	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	596	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
	597	self.iq0_ctl.SetToolTipString(hint_msg)
	598	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	599	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
	600
	601	label_time = wx.StaticText(self, -1, "Computation time")
	602	label_time_unit = wx.StaticText(self, -1, "secs")
	603	label_time.SetMinSize((120, 20))
	604	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
	605	label_osc = wx.StaticText(self, -1, "Oscillations")
	606	label_pos = wx.StaticText(self, -1, "Positive fraction")
	607	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
	608
	609	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	610	hint_msg = "Computation time for the last inversion, in seconds."
	611	self.time_ctl.SetToolTipString(hint_msg)
	612
	613	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	614	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
	615
	616	# Oscillation parameter
	617	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	618	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
	619	hint_msg += " oscillation parameter of 1.1."
	620	self.osc_ctl.SetToolTipString(hint_msg)
	621
	622	# Positive fraction figure of merit
	623	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	624	hint_msg = "Fraction of P(r) that is positive. "
	625	hint_msg += "Theoretically, P(r) is defined positive."
	626	self.pos_ctl.SetToolTipString(hint_msg)
	627
	628	# 1-simga positive fraction figure of merit
	629	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	630	message = "Fraction of P(r) that is at least 1 standard deviation"
	631	message += " greater than zero.\n"
	632	message += "This figure of merit tells you about the size of the "
	633	message += "P(r) errors.\n"
	634	message += "If it is close to 1 and the other figures of merit are bad,"
	635	message += " consider changing the maximum distance."
	636	self.pos_err_ctl.SetToolTipString(message)
	637
	638	sizer_res = wx.GridBagSizer(5, 5)
	639
	640	iy = 0
	641	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	642	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	643	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	644	iy += 1
	645	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	646	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	647	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	648	iy += 1
	649	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	650	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	651	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	652	iy += 1
	653	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	654	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	655	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	656	iy += 1
	657	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	658	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	659	iy += 1
	660	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	661	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	662
	663	iy += 1
	664	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	665	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	666
	667	iy += 1
	668	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	669	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	670
	671	ressizer.Add(sizer_res, 0)
	672	iy_vb += 1
	673	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
	674	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	675
	676	# ----- Buttons -----
	677	wx_id = wx.NewId()
	678	button_ok = wx.Button(self, wx_id, "Compute")
	679	button_ok.SetToolTipString("Perform P(r) inversion.")
	680	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
	681
	682	self.button_help = wx.Button(self, -1, "HELP")
	683	self.button_help.SetToolTipString("Get help on P(r) inversion.")
	684	self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
	685
	686	self._set_reset_flag(True)
	687	self._set_save_flag(True)
	688	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	689	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	690	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
	691	sizer_button.Add(self.button_help, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
	692
	693	iy_vb += 1
	694	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
	695	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
	696
	697	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
	698
	699	self.SetSizer(vbox)
	700
	701	def _on_accept_alpha(self, evt):
	702	"""
	703	User has accepted the estimated alpha,
	704	set it as part of the input parameters
	705	"""
	706	try:
	707	alpha = self.alpha_estimate_ctl.GetLabel()
	708	# Check that we have a number
	709	float(alpha)
	710	self.alpha_ctl.SetValue(alpha)
	711	except ValueError:
	712	logging.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
	713	except:
	714	# No estimate or bad estimate, either do nothing
	715	logging.error("InversionControl._on_accept_alpha: %s" % sys.exc_value)
	716
	717	def _on_accept_nterms(self, evt):
	718	"""
	719	User has accepted the estimated number of terms,
	720	set it as part of the input parameters
	721	"""
	722	try:
	723	nterms = self.nterms_estimate_ctl.GetLabel()
	724	# Check that we have a number
	725	float(nterms)
	726	self.nfunc_ctl.SetValue(nterms)
	727	except ValueError:
	728	logging.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
	729	except:
	730	# No estimate or bad estimate, either do nothing
	731	logging.error("InversionControl._on_accept_nterms: %s" % sys.exc_value)
	732
	733	def clear_panel(self):
	734	"""
	735	"""
	736	self.plot_data.SetValue("")
	737	self.on_reset(event=None)
	738
	739	def on_reset(self, event=None):
	740	"""
	741	Resets inversion parameters
	742	"""
	743	self.nfunc = self._manager.DEFAULT_NFUNC
	744	self.d_max = self._manager.DEFAULT_DMAX
	745	self.alpha = self._manager.DEFAULT_ALPHA
	746	self.qmin_ctl.SetValue("")
	747	self.qmax_ctl.SetValue("")
	748	self.time_ctl.SetValue("")
	749	self.rg_ctl.SetValue("")
	750	self.iq0_ctl.SetValue("")
	751	self.bck_ctl.SetValue("")
	752	self.chi2_ctl.SetValue("")
	753	self.osc_ctl.SetValue("")
	754	self.pos_ctl.SetValue("")
	755	self.pos_err_ctl.SetValue("")
	756	self.alpha_estimate_ctl.Enable(False)
	757	self.alpha_estimate_ctl.SetLabel("")
	758	self.nterms_estimate_ctl.Enable(False)
	759	self.nterms_estimate_ctl.SetLabel("")
	760	self._set_analysis(False)
	761
	762	self._on_pars_changed()
	763
	764	def _on_pars_changed(self, evt=None):
	765	"""
	766	Called when an input parameter has changed
	767	We will estimate the alpha parameter behind the
	768	scenes.
	769	"""
	770	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
	771	has_bck = self.bck_chk.IsChecked()
	772
	773	# If the pars are valid, estimate alpha
	774	if flag:
	775	self.nterms_estimate_ctl.Enable(False)
	776	self.alpha_estimate_ctl.Enable(False)
	777
	778	dataset = self.plot_data.GetValue()
	779	if dataset is not None and dataset.strip() != "":
	780	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
	781	d_max=dmax,
	782	q_min=qmin, q_max=qmax,
	783	bck=has_bck,
	784	height=height,
	785	width=width)
	786
	787	def _read_pars(self, evt=None):
	788	"""
	789	"""
	790	alpha = 0
	791	nfunc = 5
	792	dmax = 120
	793	qmin = 0
	794	qmax = 0
	795	height = 0
	796	width = 0
	797	flag = True
	798	# Read slit height
	799	try:
	800	height_str = self.sheight_ctl.GetValue()
	801	if len(height_str.lstrip().rstrip()) == 0:
	802	height = 0
	803	else:
	804	height = float(height_str)
	805	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
	806	self.sheight_ctl.Refresh()
	807	except:
	808	flag = False
	809	self.sheight_ctl.SetBackgroundColour("pink")
	810	self.sheight_ctl.Refresh()
	811
	812	# Read slit width
	813	try:
	814	width_str = self.swidth_ctl.GetValue()
	815	if len(width_str.lstrip().rstrip()) == 0:
	816	width = 0
	817	else:
	818	width = float(width_str)
	819	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
	820	self.swidth_ctl.Refresh()
	821	except:
	822	flag = False
	823	self.swidth_ctl.SetBackgroundColour("pink")
	824	self.swidth_ctl.Refresh()
	825
	826	# Read alpha
	827	try:
	828	alpha = float(self.alpha_ctl.GetValue())
	829	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
	830	self.alpha_ctl.Refresh()
	831	except:
	832	flag = False
	833	self.alpha_ctl.SetBackgroundColour("pink")
	834	self.alpha_ctl.Refresh()
	835
	836	# Read d_max
	837	try:
	838	dmax = float(self.dmax_ctl.GetValue())
	839	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
	840	self.dmax_ctl.Refresh()
	841	except:
	842	flag = False
	843	self.dmax_ctl.SetBackgroundColour("pink")
	844	self.dmax_ctl.Refresh()
	845
	846	# Read nfunc
	847	try:
	848	nfunc = int(self.nfunc_ctl.GetValue())
	849	npts = self._manager.get_npts()
	850	if npts > 0 and nfunc > npts:
	851	message = "Number of function terms should be smaller "
	852	message += "than the number of points"
	853	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
	854	raise ValueError, message
	855	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
	856	self.nfunc_ctl.Refresh()
	857	except:
	858	flag = False
	859	self.nfunc_ctl.SetBackgroundColour("pink")
	860	self.nfunc_ctl.Refresh()
	861
	862	# Read qmin
	863	try:
	864	qmin_str = self.qmin_ctl.GetValue()
	865	if len(qmin_str.lstrip().rstrip()) == 0:
	866	qmin = None
	867	else:
	868	qmin = float(qmin_str)
	869	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
	870	self.qmin_ctl.Refresh()
	871	except:
	872	flag = False
	873	self.qmin_ctl.SetBackgroundColour("pink")
	874	self.qmin_ctl.Refresh()
	875
	876	# Read qmax
	877	try:
	878	qmax_str = self.qmax_ctl.GetValue()
	879	if len(qmax_str.lstrip().rstrip()) == 0:
	880	qmax = None
	881	else:
	882	qmax = float(qmax_str)
	883	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
	884	self.qmax_ctl.Refresh()
	885	except:
	886	flag = False
	887	self.qmax_ctl.SetBackgroundColour("pink")
	888	self.qmax_ctl.Refresh()
	889
	890	return flag, alpha, dmax, nfunc, qmin, qmax, height, width
	891
	892	def _on_explore(self, evt):
	893	"""
	894	Invoke the d_max exploration dialog
	895	"""
	896	from explore_dialog import ExploreDialog
	897	if self._manager._last_pr is not None:
	898	pr = self._manager._create_plot_pr()
	899	dialog = ExploreDialog(pr, 10, None, -1, "")
	900	dialog.Show()
	901	else:
	902	message = "No data to analyze. Please load a data set to proceed."
	903	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
	904
	905	def _on_invert(self, evt):
	906	"""
	907	Perform inversion
	908
	909	:param silent: when True, there will be no output for the user
	910
	911	"""
	912	# Get the data from the form
	913	# Push it to the manager
	914
	915	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
	916	has_bck = self.bck_chk.IsChecked()
	917
	918	if flag:
	919	dataset = self.plot_data.GetValue()
	920	if dataset == None or len(dataset.strip()) == 0:
	921	message = "No data to invert. Select a data set before"
	922	message += " proceeding with P(r) inversion."
	923	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
	924	else:
	925	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
	926	d_max=dmax,
	927	q_min=qmin, q_max=qmax,
	928	bck=has_bck,
	929	height=height,
	930	width=width)
	931	else:
	932	message = "The P(r) form contains invalid values: "
	933	message += "please submit it again."
	934	wx.PostEvent(self.parent, StatusEvent(status=message))
	935
	936	def _change_file(self, evt=None, filepath=None, data=None):
	937	"""
	938	Choose a new input file for I(q)
	939	"""
	940	if not self._manager is None:
	941	self.plot_data.SetValue(str(data.name))
	942	try:
	943	self._manager.show_data(data=data, reset=True)
	944	self._on_pars_changed(None)
	945	self._on_invert(None)
	946	self._set_analysis(True)
	947	except:
	948	msg = "InversionControl._change_file: %s" % sys.exc_value
	949	logging.error(msg)
	950
	951	def on_help(self, event):
	952	"""
	953	Bring up the P(r) Documentation whenever
	954	the HELP button is clicked.
	955
	956	Calls DocumentationWindow with the path of the location within the
	957	documentation tree (after /doc/ ....". Note that when using old
	958	versions of Wx (before 2.9) and thus not the release version of
	959	installers, the help comes up at the top level of the file as
	960	webbrowser does not pass anything past the # to the browser when it is
	961	running "file:///...."
	962
	963	:param evt: Triggers on clicking the help button
	964	"""
	965
	966	_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
	967	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
	968	"P(r) Help")
	969
	970
	971	class PrDistDialog(wx.Dialog):
	972	"""
	973	Property dialog to let the user change the number
	974	of points on the P(r) plot.
	975	"""
	976	def __init__(self, parent, id):
	977	from sas.sascalc.pr.invertor import help
	978	wx.Dialog.__init__(self, parent, id, size=(250, 120))
	979	self.SetTitle("P(r) distribution")
	980
	981
	982	vbox = wx.BoxSizer(wx.VERTICAL)
	983
	984	label_npts = wx.StaticText(self, -1, "Number of points")
	985	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
	986
	987	pars_sizer = wx.GridBagSizer(5, 5)
	988	iy = 0
	989	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
	990	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	991
	992	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
	993
	994	static_line = wx.StaticLine(self, -1)
	995	vbox.Add(static_line, 0, wx.EXPAND, 0)
	996
	997	button_ok = wx.Button(self, wx.ID_OK, "OK")
	998	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
	999	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
	1000
	1001	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	1002	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	1003	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
	1004	sizer_button.Add(button_cancel, 0,
	1005	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
	1006	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
	1007
	1008	self.SetSizer(vbox)
	1009	self.SetAutoLayout(True)
	1010
	1011	self.Layout()
	1012	self.Centre()
	1013
	1014	def _checkValues(self, event):
	1015	"""
	1016	Check the dialog content.
	1017	"""
	1018	flag = True
	1019	try:
	1020	int(self.npts_ctl.GetValue())
	1021	self.npts_ctl.SetBackgroundColour(wx.WHITE)
	1022	self.npts_ctl.Refresh()
	1023	except:
	1024	flag = False
	1025	self.npts_ctl.SetBackgroundColour("pink")
	1026	self.npts_ctl.Refresh()
	1027	if flag:
	1028	event.Skip(True)
	1029
	1030	def get_content(self):
	1031	"""
	1032	Return the content of the dialog.
	1033	At this point the values have already been
	1034	checked.
	1035	"""
	1036	value = int(self.npts_ctl.GetValue())
	1037	return value
	1038
	1039	def set_content(self, npts):
	1040	"""
	1041	Initialize the content of the dialog.
	1042	"""
	1043	self.npts_ctl.SetValue("%i" % npts)

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source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ d619341

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