inversion_panel.py @ 8d302cd

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 8d302cd was 8b21fa7, checked in by Doucet, Mathieu <doucetm@…>, 10 years ago
pylint fixes
Property mode set to `100644`
File size: 38.4 KB

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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
19	if sys.platform.count("win32") > 0:
20	FONT_VARIANT = 0
21	else:
22	FONT_VARIANT = 1
23
24	class InversionControl(ScrolledPanel, PanelBase):
25	"""
26	"""
27	window_name = 'pr_control'
28	window_caption = "P(r) control panel"
29	CENTER_PANE = True
30
31	# Figure of merit parameters [default]
32
33	## Oscillation parameters (sin function = 1.1)
34	oscillation_max = 1.5
35
36	def __init__(self, parent, id=-1, plots=None, standalone=False, **kwargs):
37	"""
38	"""
39	ScrolledPanel.__init__(self, parent, id=id, **kwargs)
40	PanelBase.__init__(self, parent)
41	self.SetupScrolling()
42	#Set window's font size
43	self.SetWindowVariant(variant=FONT_VARIANT)
44
45	self.plots = plots
46	self.radio_buttons = {}
47	self.parent = parent.parent
48
49	## Data file TextCtrl
50	self.data_file = None
51	self.plot_data = None
52	self.nfunc_ctl = None
53	self.alpha_ctl = None
54	self.dmax_ctl = None
55	self.time_ctl = None
56	self.chi2_ctl = None
57	self.osc_ctl = None
58	self.file_radio = None
59	self.plot_radio = None
60	self.label_sugg = None
61	self.qmin_ctl = None
62	self.qmax_ctl = None
63	self.swidth_ctl = None
64	self.sheight_ctl = None
65
66	self.rg_ctl = None
67	self.iq0_ctl = None
68	self.bck_chk = None
69	self.bck_ctl = None
70
71	# TextCtrl for fraction of positive P(r)
72	self.pos_ctl = None
73
74	# TextCtrl for fraction of 1 sigma positive P(r)
75	self.pos_err_ctl = None
76
77	## Estimates
78	self.alpha_estimate_ctl = None
79	self.nterms_estimate_ctl = None
80	## D_max distance explorator
81	self.distance_explorator_ctl = None
82	## Data manager
83	self._manager = None
84	## Standalone flage
85	self.standalone = standalone
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	# Perform inversion
400	self._on_invert(None)
401
402	def set_manager(self, manager):
403	self._manager = manager
404
405	def _do_layout(self):
406	vbox = wx.GridBagSizer(0, 0)
407	iy_vb = 0
408
409	# ----- I(q) data -----
410	databox = wx.StaticBox(self, -1, "I(q) data source")
411
412	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
413	boxsizer1.SetMinSize((self._default_width, 50))
414	pars_sizer = wx.GridBagSizer(5, 5)
415
416	iy = 0
417	self.file_radio = wx.StaticText(self, -1, "Name:")
418	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
419	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
420
421	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
422
423	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
424	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
425
426	self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
427	hint_msg = "Check box to let the fit estimate "
428	hint_msg += "the constant background level."
429	self.bck_chk.SetToolTipString(hint_msg)
430	self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
431	iy += 1
432	pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
433	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
434	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
435	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
436	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
437
438	# ----- Add slit parameters -----
439	if True:
440	sbox = wx.StaticBox(self, -1, "Slit parameters")
441	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
442	sboxsizer.SetMinSize((self._default_width, 20))
443
444	sizer_slit = wx.GridBagSizer(5, 5)
445
446	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
447	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
448	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
449	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
450	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
451	hint_msg = "Enter slit height in units of Q or leave blank."
452	self.sheight_ctl.SetToolTipString(hint_msg)
453	hint_msg = "Enter slit width in units of Q or leave blank."
454	self.swidth_ctl.SetToolTipString(hint_msg)
455
456	iy = 0
457	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
458	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
459	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
460	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
461	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
462
463	sboxsizer.Add(sizer_slit, wx.TOP, 15)
464	iy_vb += 1
465	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
466	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
467
468	# ----- Q range -----
469	qbox = wx.StaticBox(self, -1, "Q range")
470	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
471	qboxsizer.SetMinSize((self._default_width, 20))
472
473	sizer_q = wx.GridBagSizer(5, 5)
474
475	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
476	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
477	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
478	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
479	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
480	hint_msg = "Select a lower bound for Q or leave blank."
481	self.qmin_ctl.SetToolTipString(hint_msg)
482	hint_msg = "Select an upper bound for Q or leave blank."
483	self.qmax_ctl.SetToolTipString(hint_msg)
484	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
485	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
486
487	iy = 0
488	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
489	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
490	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
491	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
492	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
493	qboxsizer.Add(sizer_q, wx.TOP, 15)
494
495	iy_vb += 1
496	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
497	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
498
499	# ----- Parameters -----
500	parsbox = wx.StaticBox(self, -1, "Parameters")
501	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
502	boxsizer2.SetMinSize((self._default_width, 50))
503
504	explanation = "P(r) is found by fitting a set of base functions"
505	explanation += " to I(Q). The minimization involves"
506	explanation += " a regularization term to ensure a smooth P(r)."
507	explanation += " The regularization constant gives the size of that "
508	explanation += "term. The suggested value is the value above which the"
509	explanation += " output P(r) will have only one peak."
510	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
511	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
512
513	label_nfunc = wx.StaticText(self, -1, "Number of terms")
514	label_nfunc.SetMinSize((120, 20))
515	label_alpha = wx.StaticText(self, -1, "Regularization constant")
516	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
517	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
518
519	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
520	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
521	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
522	hint_msg = "Control parameter for the size of the regularization term."
523	self.alpha_ctl.SetToolTipString(hint_msg)
524	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
525	hint_msg = "Maximum distance between any two points in the system."
526	self.dmax_ctl.SetToolTipString(hint_msg)
527	wx_id = wx.NewId()
528	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
529	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
530	self.alpha_estimate_ctl.Enable(False)
531	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
532
533	wx_id = wx.NewId()
534	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
535	#self.nterms_estimate_ctl.Hide()
536	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
537	self.nterms_estimate_ctl.Enable(False)
538
539	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
540
541	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
542	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
543	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
544
545	# Distance explorator
546	wx_id = wx.NewId()
547	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
548	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
549
550
551	sizer_params = wx.GridBagSizer(5, 5)
552
553	iy = 0
554	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
555	iy += 1
556	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
557	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
558	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
559	iy += 1
560	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
561	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
562	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
563	iy += 1
564	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
565	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
566	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
567	(1, 1), wx.LEFT, 15)
568
569	boxsizer2.Add(sizer_params, 0)
570
571	iy_vb += 1
572	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
573	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
574
575
576	# ----- Results -----
577	resbox = wx.StaticBox(self, -1, "Outputs")
578	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
579	ressizer.SetMinSize((self._default_width, 50))
580
581	label_rg = wx.StaticText(self, -1, "Rg")
582	label_rg_unit = wx.StaticText(self, -1, "[A]")
583	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
584	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
585	label_bck = wx.StaticText(self, -1, "Background")
586	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
587	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
588	hint_msg = "Radius of gyration for the computed P(r)."
589	self.rg_ctl.SetToolTipString(hint_msg)
590	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
591	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
592	self.iq0_ctl.SetToolTipString(hint_msg)
593	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
594	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
595
596	label_time = wx.StaticText(self, -1, "Computation time")
597	label_time_unit = wx.StaticText(self, -1, "secs")
598	label_time.SetMinSize((120, 20))
599	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
600	label_osc = wx.StaticText(self, -1, "Oscillations")
601	label_pos = wx.StaticText(self, -1, "Positive fraction")
602	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
603
604	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
605	hint_msg = "Computation time for the last inversion, in seconds."
606	self.time_ctl.SetToolTipString(hint_msg)
607
608	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
609	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
610
611	# Oscillation parameter
612	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
613	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
614	hint_msg += " oscillation parameter of 1.1."
615	self.osc_ctl.SetToolTipString(hint_msg)
616
617	# Positive fraction figure of merit
618	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
619	hint_msg = "Fraction of P(r) that is positive. "
620	hint_msg += "Theoretically, P(r) is defined positive."
621	self.pos_ctl.SetToolTipString(hint_msg)
622
623	# 1-simga positive fraction figure of merit
624	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
625	message = "Fraction of P(r) that is at least 1 standard deviation"
626	message += " greater than zero.\n"
627	message += "This figure of merit tells you about the size of the "
628	message += "P(r) errors.\n"
629	message += "If it is close to 1 and the other figures of merit are bad,"
630	message += " consider changing the maximum distance."
631	self.pos_err_ctl.SetToolTipString(message)
632
633	sizer_res = wx.GridBagSizer(5, 5)
634
635	iy = 0
636	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
637	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
638	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
639	iy += 1
640	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
641	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
642	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
643	iy += 1
644	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
645	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
646	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
647	iy += 1
648	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
649	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
650	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
651	iy += 1
652	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
653	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
654	iy += 1
655	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
656	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
657
658	iy += 1
659	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
660	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
661
662	iy += 1
663	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
664	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
665
666	ressizer.Add(sizer_res, 0)
667	iy_vb += 1
668	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
669	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
670
671	# ----- Buttons -----
672	wx_id = wx.NewId()
673	button_ok = wx.Button(self, wx_id, "Compute")
674	button_ok.SetToolTipString("Perform P(r) inversion.")
675	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
676
677	self._set_reset_flag(True)
678	self._set_save_flag(True)
679	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
680	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
681	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
682
683	iy_vb += 1
684	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
685	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
686
687	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
688
689	self.SetSizer(vbox)
690
691	def _on_accept_alpha(self, evt):
692	"""
693	User has accepted the estimated alpha,
694	set it as part of the input parameters
695	"""
696	try:
697	alpha = self.alpha_estimate_ctl.GetLabel()
698	self.alpha_ctl.SetValue(float(alpha))
699	except:
700	# No estimate or bad estimate, either do nothing
701	logging.error("InversionControl._on_accept_alpha: %s" % sys.exc_value)
702
703	def _on_accept_nterms(self, evt):
704	"""
705	User has accepted the estimated number of terms,
706	set it as part of the input parameters
707	"""
708	try:
709	nterms = self.nterms_estimate_ctl.GetLabel()
710	self.nfunc_ctl.SetValue(float(nterms))
711	except:
712	# No estimate or bad estimate, either do nothing
713	logging.error("InversionControl._on_accept_nterms: %s" % sys.exc_value)
714
715	def clear_panel(self):
716	"""
717	"""
718	self.plot_data.SetValue("")
719	self.on_reset(event=None)
720
721	def on_reset(self, event=None):
722	"""
723	Resets inversion parameters
724	"""
725	self.nfunc = self._manager.DEFAULT_NFUNC
726	self.d_max = self._manager.DEFAULT_DMAX
727	self.alpha = self._manager.DEFAULT_ALPHA
728	self.qmin_ctl.SetValue("")
729	self.qmax_ctl.SetValue("")
730	self.time_ctl.SetValue("")
731	self.rg_ctl.SetValue("")
732	self.iq0_ctl.SetValue("")
733	self.bck_ctl.SetValue("")
734	self.chi2_ctl.SetValue("")
735	self.osc_ctl.SetValue("")
736	self.pos_ctl.SetValue("")
737	self.pos_err_ctl.SetValue("")
738	self.alpha_estimate_ctl.Enable(False)
739	self.alpha_estimate_ctl.SetLabel("")
740	self.nterms_estimate_ctl.Enable(False)
741	self.nterms_estimate_ctl.SetLabel("")
742	self._on_pars_changed()
743
744	def _on_pars_changed(self, evt=None):
745	"""
746	Called when an input parameter has changed
747	We will estimate the alpha parameter behind the
748	scenes.
749	"""
750	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
751	has_bck = self.bck_chk.IsChecked()
752
753	# If the pars are valid, estimate alpha
754	if flag:
755	self.nterms_estimate_ctl.Enable(False)
756	self.alpha_estimate_ctl.Enable(False)
757
758	dataset = self.plot_data.GetValue()
759	if dataset is not None and dataset.strip() != "":
760	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
761	d_max=dmax,
762	q_min=qmin, q_max=qmax,
763	bck=has_bck,
764	height=height,
765	width=width)
766
767	def _read_pars(self, evt=None):
768	"""
769	"""
770	alpha = 0
771	nfunc = 5
772	dmax = 120
773	qmin = 0
774	qmax = 0
775	height = 0
776	width = 0
777	flag = True
778	# Read slit height
779	try:
780	height_str = self.sheight_ctl.GetValue()
781	if len(height_str.lstrip().rstrip()) == 0:
782	height = 0
783	else:
784	height = float(height_str)
785	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
786	self.sheight_ctl.Refresh()
787	except:
788	flag = False
789	self.sheight_ctl.SetBackgroundColour("pink")
790	self.sheight_ctl.Refresh()
791
792	# Read slit width
793	try:
794	width_str = self.swidth_ctl.GetValue()
795	if len(width_str.lstrip().rstrip()) == 0:
796	width = 0
797	else:
798	width = float(width_str)
799	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
800	self.swidth_ctl.Refresh()
801	except:
802	flag = False
803	self.swidth_ctl.SetBackgroundColour("pink")
804	self.swidth_ctl.Refresh()
805
806	# Read alpha
807	try:
808	alpha = float(self.alpha_ctl.GetValue())
809	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
810	self.alpha_ctl.Refresh()
811	except:
812	flag = False
813	self.alpha_ctl.SetBackgroundColour("pink")
814	self.alpha_ctl.Refresh()
815
816	# Read d_max
817	try:
818	dmax = float(self.dmax_ctl.GetValue())
819	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
820	self.dmax_ctl.Refresh()
821	except:
822	flag = False
823	self.dmax_ctl.SetBackgroundColour("pink")
824	self.dmax_ctl.Refresh()
825
826	# Read nfunc
827	try:
828	nfunc = int(self.nfunc_ctl.GetValue())
829	npts = self._manager.get_npts()
830	if npts > 0 and nfunc > npts:
831	message = "Number of function terms should be smaller "
832	message += "than the number of points"
833	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
834	raise ValueError, message
835	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
836	self.nfunc_ctl.Refresh()
837	except:
838	flag = False
839	self.nfunc_ctl.SetBackgroundColour("pink")
840	self.nfunc_ctl.Refresh()
841
842	# Read qmin
843	try:
844	qmin_str = self.qmin_ctl.GetValue()
845	if len(qmin_str.lstrip().rstrip()) == 0:
846	qmin = None
847	else:
848	qmin = float(qmin_str)
849	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
850	self.qmin_ctl.Refresh()
851	except:
852	flag = False
853	self.qmin_ctl.SetBackgroundColour("pink")
854	self.qmin_ctl.Refresh()
855
856	# Read qmax
857	try:
858	qmax_str = self.qmax_ctl.GetValue()
859	if len(qmax_str.lstrip().rstrip()) == 0:
860	qmax = None
861	else:
862	qmax = float(qmax_str)
863	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
864	self.qmax_ctl.Refresh()
865	except:
866	flag = False
867	self.qmax_ctl.SetBackgroundColour("pink")
868	self.qmax_ctl.Refresh()
869
870	return flag, alpha, dmax, nfunc, qmin, qmax, height, width
871
872	def _on_explore(self, evt):
873	"""
874	Invoke the d_max exploration dialog
875	"""
876	from explore_dialog import ExploreDialog
877	if self._manager._last_pr is not None:
878	pr = self._manager._create_plot_pr()
879	dialog = ExploreDialog(pr, 10, None, -1, "")
880	dialog.ShowModal()
881	else:
882	message = "No data to analyze. Please load a data set to proceed."
883	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
884
885	def _on_invert(self, evt):
886	"""
887	Perform inversion
888
889	:param silent: when True, there will be no output for the user
890
891	"""
892	# Get the data from the form
893	# Push it to the manager
894
895	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
896	has_bck = self.bck_chk.IsChecked()
897
898	if flag:
899	dataset = self.plot_data.GetValue()
900	if dataset == None or len(dataset.strip()) == 0:
901	message = "No data to invert. Select a data set before"
902	message += " proceeding with P(r) inversion."
903	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
904	else:
905	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
906	d_max=dmax,
907	q_min=qmin, q_max=qmax,
908	bck=has_bck,
909	height=height,
910	width=width)
911	else:
912	message = "The P(r) form contains invalid values: "
913	message += "please submit it again."
914	wx.PostEvent(self.parent, StatusEvent(status=message))
915
916	def _change_file(self, evt=None, filepath=None, data=None):
917	"""
918	Choose a new input file for I(q)
919	"""
920	if not self._manager is None:
921	self.plot_data.SetValue(str(data.name))
922	try:
923	self._manager.show_data(data=data, reset=True)
924	self._on_pars_changed(None)
925	self._on_invert(None)
926	except:
927	msg = "InversionControl._change_file: %s" % sys.exc_value
928	logging.error(msg)
929
930	class HelpDialog(wx.Dialog):
931	"""
932	"""
933	def __init__(self, parent, id):
934	"""
935	"""
936	from sas.pr.invertor import help
937	wx.Dialog.__init__(self, parent, id, size=(400, 450))
938	self.SetTitle("P(r) help")
939	self.SetWindowVariant(variant=FONT_VARIANT)
940
941	vbox = wx.BoxSizer(wx.VERTICAL)
942
943	explanation = help()
944
945	label_explain = wx.StaticText(self, -1, explanation, size=(360, 350))
946
947	vbox.Add(label_explain, 0, wx.ALL \| wx.EXPAND, 15)
948
949
950	static_line = wx.StaticLine(self, -1)
951	vbox.Add(static_line, 0, wx.EXPAND, 0)
952
953	button_ok = wx.Button(self, wx.ID_OK, "OK")
954
955	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
956	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
957	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
958
959	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
960
961	self.SetSizer(vbox)
962	self.SetAutoLayout(True)
963
964	self.Layout()
965	self.Centre()
966
967	class PrDistDialog(wx.Dialog):
968	"""
969	Property dialog to let the user change the number
970	of points on the P(r) plot.
971	"""
972	def __init__(self, parent, id):
973	from sas.pr.invertor import help
974	wx.Dialog.__init__(self, parent, id, size=(250, 120))
975	self.SetTitle("P(r) distribution")
976
977
978	vbox = wx.BoxSizer(wx.VERTICAL)
979
980	label_npts = wx.StaticText(self, -1, "Number of points")
981	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
982
983	pars_sizer = wx.GridBagSizer(5, 5)
984	iy = 0
985	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
986	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
987
988	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
989
990	static_line = wx.StaticLine(self, -1)
991	vbox.Add(static_line, 0, wx.EXPAND, 0)
992
993	button_ok = wx.Button(self, wx.ID_OK, "OK")
994	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
995	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
996
997	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
998	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
999	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1000	sizer_button.Add(button_cancel, 0,
1001	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1002	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
1003
1004	self.SetSizer(vbox)
1005	self.SetAutoLayout(True)
1006
1007	self.Layout()
1008	self.Centre()
1009
1010	def _checkValues(self, event):
1011	"""
1012	Check the dialog content.
1013	"""
1014	flag = True
1015	try:
1016	int(self.npts_ctl.GetValue())
1017	self.npts_ctl.SetBackgroundColour(wx.WHITE)
1018	self.npts_ctl.Refresh()
1019	except:
1020	flag = False
1021	self.npts_ctl.SetBackgroundColour("pink")
1022	self.npts_ctl.Refresh()
1023	if flag:
1024	event.Skip(True)
1025
1026	def get_content(self):
1027	"""
1028	Return the content of the dialog.
1029	At this point the values have already been
1030	checked.
1031	"""
1032	value = int(self.npts_ctl.GetValue())
1033	return value
1034
1035	def set_content(self, npts):
1036	"""
1037	Initialize the content of the dialog.
1038	"""
1039	self.npts_ctl.SetValue("%i" % npts)

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SasView

source: sasview/src/sas/perspectives/pr/inversion_panel.py @ 8d302cd

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