inversion_panel.py @ 198fa76

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

Last change on this file since 198fa76 was 18b7ecb9, checked in by Piotr Rozyczko <rozyczko@…>, 8 years ago
Save Analysis improvements. Fixed #629
Property mode set to `100644`
File size: 38.1 KB

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

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source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ 198fa76

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