inversion_panel.py @ 4666660

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 4666660 was 3d250da3, checked in by Doucet, Mathieu <doucetm@…>, 10 years ago
Re #397 Removing breaking EVT_KILL_FOCUS callback.
Property mode set to `100644`
File size: 38.8 KB

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

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source: sasview/src/sas/perspectives/pr/inversion_panel.py @ 4666660

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