inversion_panel.py @ 45dffa69

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 45dffa69 was 7432acb, checked in by andyfaff, 8 years ago
MAINT: search+replace '!= None' by 'is not None'
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
[463e7ffc]	20	logger = logging.getLogger(__name__)
[c155a16]	21
[18b7ecb9]	22	if sys.platform.count("win32") > 0:
	23	FONT_VARIANT = 0
	24	else:
	25	FONT_VARIANT = 1
	26
	27	class InversionControl(ScrolledPanel, PanelBase):
	28	"""
	29	"""
	30	window_name = 'pr_control'
	31	window_caption = "P(r) control panel"
	32	CENTER_PANE = True
	33
	34	# Figure of merit parameters [default]
	35
	36	## Oscillation parameters (sin function = 1.1)
	37	oscillation_max = 1.5
	38
	39	def __init__(self, parent, id=-1, plots=None, **kwargs):
	40	"""
	41	"""
	42	ScrolledPanel.__init__(self, parent, id=id, **kwargs)
	43	PanelBase.__init__(self, parent)
	44	self.SetupScrolling()
	45	#Set window's font size
	46	self.SetWindowVariant(variant=FONT_VARIANT)
	47	self._set_analysis(False)
	48
	49	self.plots = plots
	50	self.radio_buttons = {}
	51	self.parent = parent.parent
	52
	53	## Data file TextCtrl
	54	self.data_file = None
	55	self.plot_data = None
	56	self.nfunc_ctl = None
	57	self.alpha_ctl = None
	58	self.dmax_ctl = None
	59	self.time_ctl = None
	60	self.chi2_ctl = None
	61	self.osc_ctl = None
	62	self.file_radio = None
	63	self.plot_radio = None
	64	self.label_sugg = None
	65	self.qmin_ctl = None
	66	self.qmax_ctl = None
	67	self.swidth_ctl = None
	68	self.sheight_ctl = None
	69
	70	self.rg_ctl = None
	71	self.iq0_ctl = None
	72	self.bck_chk = None
	73	self.bck_ctl = None
	74
	75	# TextCtrl for fraction of positive P(r)
	76	self.pos_ctl = None
	77
	78	# TextCtrl for fraction of 1 sigma positive P(r)
	79	self.pos_err_ctl = None
	80
	81	## Estimates
	82	self.alpha_estimate_ctl = None
	83	self.nterms_estimate_ctl = None
	84	## D_max distance explorator
	85	self.distance_explorator_ctl = None
	86	## Data manager
	87	self._manager = None
	88	## Default file location for save
	89	self._default_save_location = os.getcwd()
	90	if self.parent is not None:
	91	self._default_save_location = \
	92	self.parent._default_save_location
	93
	94	# Default width
	95	self._default_width = 350
	96	self._do_layout()
	97
	98	def __setattr__(self, name, value):
	99	"""
	100	Allow direct hooks to text boxes
	101	"""
	102	if name == 'nfunc':
	103	self.nfunc_ctl.SetValue(str(int(value)))
	104	elif name == 'd_max':
	105	self.dmax_ctl.SetValue(str(value))
	106	elif name == 'alpha':
	107	self.alpha_ctl.SetValue(str(value))
	108	elif name == 'chi2':
	109	self.chi2_ctl.SetValue("%-5.2g" % value)
	110	elif name == 'bck':
	111	self.bck_ctl.SetValue("%-5.2g" % value)
	112	elif name == 'q_min':
	113	self.qmin_ctl.SetValue("%-5.2g" % value)
	114	elif name == 'q_max':
	115	self.qmax_ctl.SetValue("%-5.2g" % value)
	116	elif name == 'elapsed':
	117	self.time_ctl.SetValue("%-5.2g" % value)
	118	elif name == 'rg':
	119	self.rg_ctl.SetValue("%-5.2g" % value)
	120	elif name == 'iq0':
	121	self.iq0_ctl.SetValue("%-5.2g" % value)
	122	elif name == 'oscillation':
	123	self.osc_ctl.SetValue("%-5.2g" % value)
	124	elif name == 'slit_width':
	125	self.swidth_ctl.SetValue("%-5.2g" % value)
	126	elif name == 'slit_height':
	127	self.sheight_ctl.SetValue("%-5.2g" % value)
	128	elif name == 'positive':
	129	self.pos_ctl.SetValue("%-5.2g" % value)
	130	elif name == 'pos_err':
	131	self.pos_err_ctl.SetValue("%-5.2g" % value)
	132	elif name == 'alpha_estimate':
	133	self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
	134	self.alpha_estimate_ctl.Enable(True)
	135	self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
	136	#self.alpha_estimate_ctl.Show()
	137	#self.label_sugg.Show()
	138	elif name == 'nterms_estimate':
	139	self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
	140	self.nterms_estimate_ctl.Enable(True)
	141	self.nterms_estimate_ctl.SetLabel("%-g" % value)
	142	elif name == 'plotname':
	143	self.plot_data.SetValue(str(value))
	144	self._on_pars_changed(None)
	145	elif name == 'datafile':
	146	self.plot_data.SetValue(str(value))
	147	self._on_pars_changed(None)
	148	else:
	149	wx.Panel.__setattr__(self, name, value)
	150
	151	def __getattr__(self, name):
	152	"""
	153	Allow direct hooks to text boxes
	154	"""
	155	if name == 'nfunc':
	156	try:
	157	return int(self.nfunc_ctl.GetValue())
	158	except:
	159	return -1
	160	elif name == 'd_max':
	161	try:
	162	return self.dmax_ctl.GetValue()
	163	except:
	164	return -1.0
	165	elif name == 'alpha':
	166	try:
	167	return self.alpha_ctl.GetValue()
	168	except:
	169	return -1.0
	170	elif name == 'chi2':
	171	try:
	172	return float(self.chi2_ctl.GetValue())
	173	except:
	174	return None
	175	elif name == 'bck':
	176	try:
	177	return float(self.bck_ctl.GetValue())
	178	except:
	179	return None
	180	elif name == 'q_min':
	181	try:
	182	return float(self.qmin_ctl.GetValue())
	183	except:
	184	return 0.0
	185	elif name == 'q_max':
	186	try:
	187	return float(self.qmax_ctl.GetValue())
	188	except:
	189	return 0.0
	190	elif name == 'elapsed':
	191	try:
	192	return float(self.time_ctl.GetValue())
	193	except:
	194	return None
	195	elif name == 'rg':
	196	try:
	197	return float(self.rg_ctl.GetValue())
	198	except:
	199	return None
	200	elif name == 'iq0':
	201	try:
	202	return float(self.iq0_ctl.GetValue())
	203	except:
	204	return None
	205	elif name == 'oscillation':
	206	try:
	207	return float(self.osc_ctl.GetValue())
	208	except:
	209	return None
	210	elif name == 'slit_width':
	211	try:
	212	return float(self.swidth_ctl.GetValue())
	213	except:
	214	return None
	215	elif name == 'slit_height':
	216	try:
	217	return float(self.sheight_ctl.GetValue())
	218	except:
	219	return None
	220	elif name == 'pos':
	221	try:
	222	return float(self.pos_ctl.GetValue())
	223	except:
	224	return None
	225	elif name == 'pos_err':
	226	try:
	227	return float(self.pos_err_ctl.GetValue())
	228	except:
	229	return None
	230	elif name == 'alpha_estimate':
	231	try:
	232	return float(self.alpha_estimate_ctl.GetLabel())
	233	except:
	234	return None
	235	elif name == 'nterms_estimate':
	236	try:
	237	return int(self.nterms_estimate_ctl.GetLabel())
	238	except:
	239	return None
	240	elif name == 'plotname':
	241	return self.plot_data.GetValue()
	242	elif name == 'datafile':
	243	return self.plot_data.GetValue()
	244	else:
	245	return wx.Panel.__getattribute__(self, name)
	246
	247	def save_project(self, doc=None):
	248	"""
	249	return an xml node containing state of the panel
	250	that guiframe can write to file
	251	"""
	252	data = self.get_data()
	253	state = self.get_state()
	254	if data is not None:
	255	new_doc = self._manager.state_reader.write_toXML(data, state)
	256	if new_doc is not None:
	257	if doc is not None and hasattr(doc, "firstChild"):
	258	child = new_doc.getElementsByTagName("SASentry")
	259	for item in child:
	260	doc.firstChild.appendChild(item)
	261	else:
	262	doc = new_doc
	263	return doc
	264
	265	def on_save(self, evt=None):
	266	"""
	267	Method used to create a memento of the current state
	268
	269	:return: state object
	270	"""
	271	# Ask the user the location of the file to write to.
	272	path = None
[7432acb]	273	if self.parent is not None:
[18b7ecb9]	274	self._default_save_location = self.parent._default_save_location
	275	dlg = wx.FileDialog(self, "Choose a file",
	276	self._default_save_location,
	277	self.window_caption, "*.prv", wx.SAVE)
	278	if dlg.ShowModal() == wx.ID_OK:
	279	path = dlg.GetPath()
	280	self._default_save_location = os.path.dirname(path)
[7432acb]	281	if self.parent is not None:
[18b7ecb9]	282	self.parent._default_save_location = self._default_save_location
	283	else:
	284	return None
	285
	286	dlg.Destroy()
	287
	288	state = self.get_state()
	289
	290	# MAC always needs the extension for saving
	291	extens = ".prv"
	292	# Make sure the ext included in the file name
	293	fName = os.path.splitext(path)[0] + extens
	294	self._manager.save_data(filepath=fName, prstate=state)
	295
	296	return state
	297
	298	def get_data(self):
	299	"""
	300	"""
	301	return self._manager.get_data()
	302
	303	def get_state(self):
	304	"""
	305	Get the current state
	306
	307	: return: state object
	308	"""
	309	# Construct the state object
	310	state = InversionState()
	311
	312	# Read the panel's parameters
	313	flag, alpha, dmax, nfunc, qmin, \
	314	qmax, height, width = self._read_pars()
	315
	316	state.nfunc = nfunc
	317	state.d_max = dmax
	318	state.alpha = alpha
	319	state.qmin = qmin
	320	state.qmax = qmax
	321	state.width = width
	322	state.height = height
	323
	324	# Data file
	325	state.file = self.plot_data.GetValue()
	326
	327	# Background evaluation checkbox
	328	state.estimate_bck = self.bck_chk.IsChecked()
	329
	330	# Estimates
	331	state.nterms_estimate = self.nterms_estimate
	332	state.alpha_estimate = self.alpha_estimate
	333
	334	# Read the output values
	335	state.chi2 = self.chi2
	336	state.elapsed = self.elapsed
	337	state.osc = self.oscillation
	338	state.pos = self.pos
	339	state.pos_err = self.pos_err
	340	state.rg = self.rg
	341	state.iq0 = self.iq0
	342	state.bck = self.bck
	343
	344	return state
	345
	346	def set_state(self, state):
	347	"""
	348	Set the state of the panel and inversion problem to
	349	the state passed as a parameter.
	350	Execute the inversion immediately after filling the
	351	controls.
	352
	353	:param state: InversionState object
	354	"""
	355	if state.nfunc is not None:
	356	self.nfunc = state.nfunc
	357	if state.d_max is not None:
	358	self.d_max = state.d_max
	359	if state.alpha is not None:
	360	self.alpha = state.alpha
	361	if state.qmin is not None:
	362	self.q_min = state.qmin
	363	if state.qmax is not None:
	364	self.q_max = state.qmax
	365	if state.width is not None:
	366	self.slit_width = state.width
	367	if state.height is not None:
	368	self.slit_height = state.height
	369
	370	# Data file
	371	self.plot_data.SetValue(str(state.file))
	372
	373	# Background evaluation checkbox
	374	self.bck_chk.SetValue(state.estimate_bck)
	375
	376	# Estimates
	377	if state.nterms_estimate is not None:
	378	self.nterms_estimate = state.nterms_estimate
	379	if state.alpha_estimate is not None:
	380	self.alpha_estimate = state.alpha_estimate
	381
	382
	383	# Read the output values
	384	if state.chi2 is not None:
	385	self.chi2 = state.chi2
	386	if state.elapsed is not None:
	387	self.elapsed = state.elapsed
	388	if state.osc is not None:
	389	self.oscillation = state.osc
	390	if state.pos is not None:
	391	self.positive = state.pos
	392	if state.pos_err is not None:
	393	self.pos_err = state.pos_err
	394	if state.rg is not None:
	395	self.rg = state.rg
	396	if state.iq0 is not None:
	397	self.iq0 = state.iq0
	398	if state.bck is not None:
	399	self.bck = state.bck
	400
	401	# We have the data available for serialization
	402	self._set_analysis(True)
	403
	404	# Perform inversion
	405	self._on_invert(None)
	406
	407	def set_manager(self, manager):
	408	self._manager = manager
	409	if manager is not None:
	410	self._set_analysis(False)
	411
	412	def _do_layout(self):
	413	vbox = wx.GridBagSizer(0, 0)
	414	iy_vb = 0
	415
	416	# ----- I(q) data -----
	417	databox = wx.StaticBox(self, -1, "I(q) data source")
	418
	419	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
	420	boxsizer1.SetMinSize((self._default_width, 50))
	421	pars_sizer = wx.GridBagSizer(5, 5)
	422
	423	iy = 0
	424	self.file_radio = wx.StaticText(self, -1, "Name:")
	425	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
	426	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	427
	428	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
	429
	430	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
	431	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
	432
	433	self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
	434	hint_msg = "Check box to let the fit estimate "
	435	hint_msg += "the constant background level."
	436	self.bck_chk.SetToolTipString(hint_msg)
	437	self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
	438	iy += 1
	439	pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
	440	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
	441	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
	442	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
	443	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
	444
	445	# ----- Add slit parameters -----
	446	if True:
	447	sbox = wx.StaticBox(self, -1, "Slit parameters")
	448	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
	449	sboxsizer.SetMinSize((self._default_width, 20))
	450
	451	sizer_slit = wx.GridBagSizer(5, 5)
	452
	453	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
	454	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
	455	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
	456	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	457	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	458	hint_msg = "Enter slit height in units of Q or leave blank."
	459	self.sheight_ctl.SetToolTipString(hint_msg)
	460	hint_msg = "Enter slit width in units of Q or leave blank."
	461	self.swidth_ctl.SetToolTipString(hint_msg)
	462
	463	iy = 0
	464	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	465	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	466	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	467	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	468	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	469
	470	sboxsizer.Add(sizer_slit, wx.TOP, 15)
	471	iy_vb += 1
	472	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
	473	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	474
	475	# ----- Q range -----
	476	qbox = wx.StaticBox(self, -1, "Q range")
	477	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
	478	qboxsizer.SetMinSize((self._default_width, 20))
	479
	480	sizer_q = wx.GridBagSizer(5, 5)
	481
	482	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
	483	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
	484	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
	485	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	486	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	487	hint_msg = "Select a lower bound for Q or leave blank."
	488	self.qmin_ctl.SetToolTipString(hint_msg)
	489	hint_msg = "Select an upper bound for Q or leave blank."
	490	self.qmax_ctl.SetToolTipString(hint_msg)
	491	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
	492	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
	493
	494	iy = 0
	495	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	496	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	497	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	498	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	499	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
	500	qboxsizer.Add(sizer_q, wx.TOP, 15)
	501
	502	iy_vb += 1
	503	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
	504	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	505
	506	# ----- Parameters -----
	507	parsbox = wx.StaticBox(self, -1, "Parameters")
	508	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
	509	boxsizer2.SetMinSize((self._default_width, 50))
	510
	511	explanation = "P(r) is found by fitting a set of base functions"
	512	explanation += " to I(Q). The minimization involves"
	513	explanation += " a regularization term to ensure a smooth P(r)."
	514	explanation += " The regularization constant gives the size of that "
	515	explanation += "term. The suggested value is the value above which the"
	516	explanation += " output P(r) will have only one peak."
	517	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
	518	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
	519
	520	label_nfunc = wx.StaticText(self, -1, "Number of terms")
	521	label_nfunc.SetMinSize((120, 20))
	522	label_alpha = wx.StaticText(self, -1, "Regularization constant")
	523	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
	524	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
	525
	526	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	527	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
	528	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	529	hint_msg = "Control parameter for the size of the regularization term."
	530	self.alpha_ctl.SetToolTipString(hint_msg)
	531	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
	532	hint_msg = "Maximum distance between any two points in the system."
	533	self.dmax_ctl.SetToolTipString(hint_msg)
	534	wx_id = wx.NewId()
	535	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
	536	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
	537	self.alpha_estimate_ctl.Enable(False)
	538	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
	539
	540	wx_id = wx.NewId()
	541	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
	542	#self.nterms_estimate_ctl.Hide()
	543	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
	544	self.nterms_estimate_ctl.Enable(False)
	545
	546	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
	547
	548	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
	549	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
	550	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
	551
	552	# Distance explorator
	553	wx_id = wx.NewId()
	554	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
	555	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
	556
	557
	558	sizer_params = wx.GridBagSizer(5, 5)
	559
	560	iy = 0
	561	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
	562	iy += 1
	563	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
	564	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	565	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
	566	iy += 1
	567	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
	568	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	569	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
	570	iy += 1
	571	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
	572	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	573	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
	574	(1, 1), wx.LEFT, 15)
	575
	576	boxsizer2.Add(sizer_params, 0)
	577
	578	iy_vb += 1
	579	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
	580	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	581
	582
	583	# ----- Results -----
	584	resbox = wx.StaticBox(self, -1, "Outputs")
	585	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
	586	ressizer.SetMinSize((self._default_width, 50))
	587
	588	label_rg = wx.StaticText(self, -1, "Rg")
	589	label_rg_unit = wx.StaticText(self, -1, "[A]")
	590	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
	591	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
	592	label_bck = wx.StaticText(self, -1, "Background")
	593	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
	594	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	595	hint_msg = "Radius of gyration for the computed P(r)."
	596	self.rg_ctl.SetToolTipString(hint_msg)
	597	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	598	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
	599	self.iq0_ctl.SetToolTipString(hint_msg)
	600	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	601	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
	602
	603	label_time = wx.StaticText(self, -1, "Computation time")
	604	label_time_unit = wx.StaticText(self, -1, "secs")
	605	label_time.SetMinSize((120, 20))
	606	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
	607	label_osc = wx.StaticText(self, -1, "Oscillations")
	608	label_pos = wx.StaticText(self, -1, "Positive fraction")
	609	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
	610
	611	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	612	hint_msg = "Computation time for the last inversion, in seconds."
	613	self.time_ctl.SetToolTipString(hint_msg)
	614
	615	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	616	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
	617
	618	# Oscillation parameter
	619	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	620	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
	621	hint_msg += " oscillation parameter of 1.1."
	622	self.osc_ctl.SetToolTipString(hint_msg)
	623
	624	# Positive fraction figure of merit
	625	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	626	hint_msg = "Fraction of P(r) that is positive. "
	627	hint_msg += "Theoretically, P(r) is defined positive."
	628	self.pos_ctl.SetToolTipString(hint_msg)
	629
	630	# 1-simga positive fraction figure of merit
	631	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
	632	message = "Fraction of P(r) that is at least 1 standard deviation"
	633	message += " greater than zero.\n"
	634	message += "This figure of merit tells you about the size of the "
	635	message += "P(r) errors.\n"
	636	message += "If it is close to 1 and the other figures of merit are bad,"
	637	message += " consider changing the maximum distance."
	638	self.pos_err_ctl.SetToolTipString(message)
	639
	640	sizer_res = wx.GridBagSizer(5, 5)
	641
	642	iy = 0
	643	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	644	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	645	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	646	iy += 1
	647	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	648	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	649	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	650	iy += 1
	651	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	652	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	653	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	654	iy += 1
	655	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	656	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	657	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	658	iy += 1
	659	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	660	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	661	iy += 1
	662	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	663	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	664
	665	iy += 1
	666	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	667	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	668
	669	iy += 1
	670	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
	671	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
	672
	673	ressizer.Add(sizer_res, 0)
	674	iy_vb += 1
	675	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
	676	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
	677
	678	# ----- Buttons -----
	679	wx_id = wx.NewId()
	680	button_ok = wx.Button(self, wx_id, "Compute")
	681	button_ok.SetToolTipString("Perform P(r) inversion.")
	682	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
	683
	684	self.button_help = wx.Button(self, -1, "HELP")
	685	self.button_help.SetToolTipString("Get help on P(r) inversion.")
	686	self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
	687
	688	self._set_reset_flag(True)
	689	self._set_save_flag(True)
	690	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	691	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	692	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
	693	sizer_button.Add(self.button_help, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
	694
	695	iy_vb += 1
	696	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
	697	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
	698
	699	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
	700
	701	self.SetSizer(vbox)
	702
	703	def _on_accept_alpha(self, evt):
	704	"""
	705	User has accepted the estimated alpha,
	706	set it as part of the input parameters
	707	"""
	708	try:
	709	alpha = self.alpha_estimate_ctl.GetLabel()
	710	# Check that we have a number
	711	float(alpha)
	712	self.alpha_ctl.SetValue(alpha)
	713	except ValueError:
[c155a16]	714	logger.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
[18b7ecb9]	715	except:
	716	# No estimate or bad estimate, either do nothing
[c155a16]	717	logger.error("InversionControl._on_accept_alpha: %s" % sys.exc_value)
[18b7ecb9]	718
	719	def _on_accept_nterms(self, evt):
	720	"""
	721	User has accepted the estimated number of terms,
	722	set it as part of the input parameters
	723	"""
	724	try:
	725	nterms = self.nterms_estimate_ctl.GetLabel()
	726	# Check that we have a number
	727	float(nterms)
	728	self.nfunc_ctl.SetValue(nterms)
	729	except ValueError:
[c155a16]	730	logger.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
[18b7ecb9]	731	except:
	732	# No estimate or bad estimate, either do nothing
[c155a16]	733	logger.error("InversionControl._on_accept_nterms: %s" % sys.exc_value)
[18b7ecb9]	734
	735	def clear_panel(self):
	736	"""
	737	"""
	738	self.plot_data.SetValue("")
	739	self.on_reset(event=None)
	740
	741	def on_reset(self, event=None):
	742	"""
	743	Resets inversion parameters
	744	"""
	745	self.nfunc = self._manager.DEFAULT_NFUNC
	746	self.d_max = self._manager.DEFAULT_DMAX
	747	self.alpha = self._manager.DEFAULT_ALPHA
	748	self.qmin_ctl.SetValue("")
	749	self.qmax_ctl.SetValue("")
	750	self.time_ctl.SetValue("")
	751	self.rg_ctl.SetValue("")
	752	self.iq0_ctl.SetValue("")
	753	self.bck_ctl.SetValue("")
	754	self.chi2_ctl.SetValue("")
	755	self.osc_ctl.SetValue("")
	756	self.pos_ctl.SetValue("")
	757	self.pos_err_ctl.SetValue("")
	758	self.alpha_estimate_ctl.Enable(False)
	759	self.alpha_estimate_ctl.SetLabel("")
	760	self.nterms_estimate_ctl.Enable(False)
	761	self.nterms_estimate_ctl.SetLabel("")
	762	self._set_analysis(False)
	763
	764	self._on_pars_changed()
	765
	766	def _on_pars_changed(self, evt=None):
	767	"""
	768	Called when an input parameter has changed
	769	We will estimate the alpha parameter behind the
	770	scenes.
	771	"""
	772	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
	773	has_bck = self.bck_chk.IsChecked()
	774
	775	# If the pars are valid, estimate alpha
	776	if flag:
	777	self.nterms_estimate_ctl.Enable(False)
	778	self.alpha_estimate_ctl.Enable(False)
	779
	780	dataset = self.plot_data.GetValue()
	781	if dataset is not None and dataset.strip() != "":
	782	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
	783	d_max=dmax,
	784	q_min=qmin, q_max=qmax,
	785	bck=has_bck,
	786	height=height,
	787	width=width)
	788
	789	def _read_pars(self, evt=None):
	790	"""
	791	"""
	792	alpha = 0
	793	nfunc = 5
	794	dmax = 120
	795	qmin = 0
	796	qmax = 0
	797	height = 0
	798	width = 0
	799	flag = True
	800	# Read slit height
	801	try:
	802	height_str = self.sheight_ctl.GetValue()
	803	if len(height_str.lstrip().rstrip()) == 0:
	804	height = 0
	805	else:
	806	height = float(height_str)
	807	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
	808	self.sheight_ctl.Refresh()
	809	except:
	810	flag = False
	811	self.sheight_ctl.SetBackgroundColour("pink")
	812	self.sheight_ctl.Refresh()
	813
	814	# Read slit width
	815	try:
	816	width_str = self.swidth_ctl.GetValue()
	817	if len(width_str.lstrip().rstrip()) == 0:
	818	width = 0
	819	else:
	820	width = float(width_str)
	821	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
	822	self.swidth_ctl.Refresh()
	823	except:
	824	flag = False
	825	self.swidth_ctl.SetBackgroundColour("pink")
	826	self.swidth_ctl.Refresh()
	827
	828	# Read alpha
	829	try:
	830	alpha = float(self.alpha_ctl.GetValue())
	831	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
	832	self.alpha_ctl.Refresh()
	833	except:
	834	flag = False
	835	self.alpha_ctl.SetBackgroundColour("pink")
	836	self.alpha_ctl.Refresh()
	837
	838	# Read d_max
	839	try:
	840	dmax = float(self.dmax_ctl.GetValue())
	841	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
	842	self.dmax_ctl.Refresh()
	843	except:
	844	flag = False
	845	self.dmax_ctl.SetBackgroundColour("pink")
	846	self.dmax_ctl.Refresh()
	847
	848	# Read nfunc
	849	try:
	850	nfunc = int(self.nfunc_ctl.GetValue())
	851	npts = self._manager.get_npts()
	852	if npts > 0 and nfunc > npts:
	853	message = "Number of function terms should be smaller "
	854	message += "than the number of points"
	855	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
	856	raise ValueError, message
	857	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
	858	self.nfunc_ctl.Refresh()
	859	except:
	860	flag = False
	861	self.nfunc_ctl.SetBackgroundColour("pink")
	862	self.nfunc_ctl.Refresh()
	863
	864	# Read qmin
	865	try:
	866	qmin_str = self.qmin_ctl.GetValue()
	867	if len(qmin_str.lstrip().rstrip()) == 0:
	868	qmin = None
	869	else:
	870	qmin = float(qmin_str)
	871	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
	872	self.qmin_ctl.Refresh()
	873	except:
	874	flag = False
	875	self.qmin_ctl.SetBackgroundColour("pink")
	876	self.qmin_ctl.Refresh()
	877
	878	# Read qmax
	879	try:
	880	qmax_str = self.qmax_ctl.GetValue()
	881	if len(qmax_str.lstrip().rstrip()) == 0:
	882	qmax = None
	883	else:
	884	qmax = float(qmax_str)
	885	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
	886	self.qmax_ctl.Refresh()
	887	except:
	888	flag = False
	889	self.qmax_ctl.SetBackgroundColour("pink")
	890	self.qmax_ctl.Refresh()
	891
	892	return flag, alpha, dmax, nfunc, qmin, qmax, height, width
	893
	894	def _on_explore(self, evt):
	895	"""
	896	Invoke the d_max exploration dialog
	897	"""
	898	from explore_dialog import ExploreDialog
	899	if self._manager._last_pr is not None:
	900	pr = self._manager._create_plot_pr()
	901	dialog = ExploreDialog(pr, 10, None, -1, "")
	902	dialog.Show()
	903	else:
	904	message = "No data to analyze. Please load a data set to proceed."
	905	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
	906
	907	def _on_invert(self, evt):
	908	"""
	909	Perform inversion
	910
	911	:param silent: when True, there will be no output for the user
	912
	913	"""
	914	# Get the data from the form
	915	# Push it to the manager
	916
	917	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
	918	has_bck = self.bck_chk.IsChecked()
	919
	920	if flag:
	921	dataset = self.plot_data.GetValue()
[235f514]	922	if dataset is None or len(dataset.strip()) == 0:
[18b7ecb9]	923	message = "No data to invert. Select a data set before"
	924	message += " proceeding with P(r) inversion."
	925	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
	926	else:
	927	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
	928	d_max=dmax,
	929	q_min=qmin, q_max=qmax,
	930	bck=has_bck,
	931	height=height,
	932	width=width)
	933	else:
	934	message = "The P(r) form contains invalid values: "
	935	message += "please submit it again."
	936	wx.PostEvent(self.parent, StatusEvent(status=message))
	937
	938	def _change_file(self, evt=None, filepath=None, data=None):
	939	"""
	940	Choose a new input file for I(q)
	941	"""
[c1d5aea]	942	if self._manager is not None:
[18b7ecb9]	943	self.plot_data.SetValue(str(data.name))
	944	try:
	945	self._manager.show_data(data=data, reset=True)
	946	self._on_pars_changed(None)
	947	self._on_invert(None)
	948	self._set_analysis(True)
	949	except:
	950	msg = "InversionControl._change_file: %s" % sys.exc_value
[c155a16]	951	logger.error(msg)
[18b7ecb9]	952
	953	def on_help(self, event):
	954	"""
	955	Bring up the P(r) Documentation whenever
	956	the HELP button is clicked.
	957
	958	Calls DocumentationWindow with the path of the location within the
	959	documentation tree (after /doc/ ....". Note that when using old
	960	versions of Wx (before 2.9) and thus not the release version of
	961	installers, the help comes up at the top level of the file as
	962	webbrowser does not pass anything past the # to the browser when it is
	963	running "file:///...."
	964
	965	:param evt: Triggers on clicking the help button
	966	"""
	967
	968	_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
	969	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
	970	"P(r) Help")
	971
	972
	973	class PrDistDialog(wx.Dialog):
	974	"""
	975	Property dialog to let the user change the number
	976	of points on the P(r) plot.
	977	"""
	978	def __init__(self, parent, id):
	979	from sas.sascalc.pr.invertor import help
	980	wx.Dialog.__init__(self, parent, id, size=(250, 120))
	981	self.SetTitle("P(r) distribution")
	982
	983
	984	vbox = wx.BoxSizer(wx.VERTICAL)
	985
	986	label_npts = wx.StaticText(self, -1, "Number of points")
	987	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
	988
	989	pars_sizer = wx.GridBagSizer(5, 5)
	990	iy = 0
	991	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
	992	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
	993
	994	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
	995
	996	static_line = wx.StaticLine(self, -1)
	997	vbox.Add(static_line, 0, wx.EXPAND, 0)
	998
	999	button_ok = wx.Button(self, wx.ID_OK, "OK")
	1000	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
	1001	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
	1002
	1003	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
	1004	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
	1005	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
	1006	sizer_button.Add(button_cancel, 0,
	1007	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
	1008	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
	1009
	1010	self.SetSizer(vbox)
	1011	self.SetAutoLayout(True)
	1012
	1013	self.Layout()
	1014	self.Centre()
	1015
	1016	def _checkValues(self, event):
	1017	"""
	1018	Check the dialog content.
	1019	"""
	1020	flag = True
	1021	try:
	1022	int(self.npts_ctl.GetValue())
	1023	self.npts_ctl.SetBackgroundColour(wx.WHITE)
	1024	self.npts_ctl.Refresh()
	1025	except:
	1026	flag = False
	1027	self.npts_ctl.SetBackgroundColour("pink")
	1028	self.npts_ctl.Refresh()
	1029	if flag:
	1030	event.Skip(True)
	1031
	1032	def get_content(self):
	1033	"""
	1034	Return the content of the dialog.
	1035	At this point the values have already been
	1036	checked.
	1037	"""
	1038	value = int(self.npts_ctl.GetValue())
	1039	return value
	1040
	1041	def set_content(self, npts):
	1042	"""
	1043	Initialize the content of the dialog.
	1044	"""
	1045	self.npts_ctl.SetValue("%i" % npts)

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source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ 45dffa69

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