inversion_panel.py @ 033c14c

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 033c14c was 5a58656, checked in by butler, 9 years ago
linked new help to pr panel
Property mode set to `100644`
File size: 38.8 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.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
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	## Default file location for save
86	self._default_save_location = os.getcwd()
87	if self.parent is not None:
88	self._default_save_location = \
89	self.parent._default_save_location
90
91	# Default width
92	self._default_width = 350
93	self._do_layout()
94
95	def __setattr__(self, name, value):
96	"""
97	Allow direct hooks to text boxes
98	"""
99	if name == 'nfunc':
100	self.nfunc_ctl.SetValue(str(int(value)))
101	elif name == 'd_max':
102	self.dmax_ctl.SetValue(str(value))
103	elif name == 'alpha':
104	self.alpha_ctl.SetValue(str(value))
105	elif name == 'chi2':
106	self.chi2_ctl.SetValue("%-5.2g" % value)
107	elif name == 'bck':
108	self.bck_ctl.SetValue("%-5.2g" % value)
109	elif name == 'q_min':
110	self.qmin_ctl.SetValue("%-5.2g" % value)
111	elif name == 'q_max':
112	self.qmax_ctl.SetValue("%-5.2g" % value)
113	elif name == 'elapsed':
114	self.time_ctl.SetValue("%-5.2g" % value)
115	elif name == 'rg':
116	self.rg_ctl.SetValue("%-5.2g" % value)
117	elif name == 'iq0':
118	self.iq0_ctl.SetValue("%-5.2g" % value)
119	elif name == 'oscillation':
120	self.osc_ctl.SetValue("%-5.2g" % value)
121	elif name == 'slit_width':
122	self.swidth_ctl.SetValue("%-5.2g" % value)
123	elif name == 'slit_height':
124	self.sheight_ctl.SetValue("%-5.2g" % value)
125	elif name == 'positive':
126	self.pos_ctl.SetValue("%-5.2g" % value)
127	elif name == 'pos_err':
128	self.pos_err_ctl.SetValue("%-5.2g" % value)
129	elif name == 'alpha_estimate':
130	self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
131	self.alpha_estimate_ctl.Enable(True)
132	self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
133	#self.alpha_estimate_ctl.Show()
134	#self.label_sugg.Show()
135	elif name == 'nterms_estimate':
136	self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
137	self.nterms_estimate_ctl.Enable(True)
138	self.nterms_estimate_ctl.SetLabel("%-g" % value)
139	elif name == 'plotname':
140	self.plot_data.SetValue(str(value))
141	self._on_pars_changed(None)
142	elif name == 'datafile':
143	self.plot_data.SetValue(str(value))
144	self._on_pars_changed(None)
145	else:
146	wx.Panel.__setattr__(self, name, value)
147
148	def __getattr__(self, name):
149	"""
150	Allow direct hooks to text boxes
151	"""
152	if name == 'nfunc':
153	try:
154	return int(self.nfunc_ctl.GetValue())
155	except:
156	return -1
157	elif name == 'd_max':
158	try:
159	return self.dmax_ctl.GetValue()
160	except:
161	return -1.0
162	elif name == 'alpha':
163	try:
164	return self.alpha_ctl.GetValue()
165	except:
166	return -1.0
167	elif name == 'chi2':
168	try:
169	return float(self.chi2_ctl.GetValue())
170	except:
171	return None
172	elif name == 'bck':
173	try:
174	return float(self.bck_ctl.GetValue())
175	except:
176	return None
177	elif name == 'q_min':
178	try:
179	return float(self.qmin_ctl.GetValue())
180	except:
181	return 0.0
182	elif name == 'q_max':
183	try:
184	return float(self.qmax_ctl.GetValue())
185	except:
186	return 0.0
187	elif name == 'elapsed':
188	try:
189	return float(self.time_ctl.GetValue())
190	except:
191	return None
192	elif name == 'rg':
193	try:
194	return float(self.rg_ctl.GetValue())
195	except:
196	return None
197	elif name == 'iq0':
198	try:
199	return float(self.iq0_ctl.GetValue())
200	except:
201	return None
202	elif name == 'oscillation':
203	try:
204	return float(self.osc_ctl.GetValue())
205	except:
206	return None
207	elif name == 'slit_width':
208	try:
209	return float(self.swidth_ctl.GetValue())
210	except:
211	return None
212	elif name == 'slit_height':
213	try:
214	return float(self.sheight_ctl.GetValue())
215	except:
216	return None
217	elif name == 'pos':
218	try:
219	return float(self.pos_ctl.GetValue())
220	except:
221	return None
222	elif name == 'pos_err':
223	try:
224	return float(self.pos_err_ctl.GetValue())
225	except:
226	return None
227	elif name == 'alpha_estimate':
228	try:
229	return float(self.alpha_estimate_ctl.GetLabel())
230	except:
231	return None
232	elif name == 'nterms_estimate':
233	try:
234	return int(self.nterms_estimate_ctl.GetLabel())
235	except:
236	return None
237	elif name == 'plotname':
238	return self.plot_data.GetValue()
239	elif name == 'datafile':
240	return self.plot_data.GetValue()
241	else:
242	return wx.Panel.__getattribute__(self, name)
243
244	def save_project(self, doc=None):
245	"""
246	return an xml node containing state of the panel
247	that guiframe can write to file
248	"""
249	data = self.get_data()
250	state = self.get_state()
251	if data is not None:
252	new_doc = self._manager.state_reader.write_toXML(data, state)
253	if new_doc is not None:
254	if doc is not None and hasattr(doc, "firstChild"):
255	child = new_doc.getElementsByTagName("SASentry")
256	for item in child:
257	doc.firstChild.appendChild(item)
258	else:
259	doc = new_doc
260	return doc
261
262	def on_save(self, evt=None):
263	"""
264	Method used to create a memento of the current state
265
266	:return: state object
267	"""
268	# Ask the user the location of the file to write to.
269	path = None
270	if self.parent != None:
271	self._default_save_location = self.parent._default_save_location
272	dlg = wx.FileDialog(self, "Choose a file",
273	self._default_save_location,
274	self.window_caption, "*.prv", wx.SAVE)
275	if dlg.ShowModal() == wx.ID_OK:
276	path = dlg.GetPath()
277	self._default_save_location = os.path.dirname(path)
278	if self.parent != None:
279	self.parent._default_save_location = self._default_save_location
280	else:
281	return None
282
283	dlg.Destroy()
284
285	state = self.get_state()
286
287	# MAC always needs the extension for saving
288	extens = ".prv"
289	# Make sure the ext included in the file name
290	fName = os.path.splitext(path)[0] + extens
291	self._manager.save_data(filepath=fName, prstate=state)
292
293	return state
294
295	def get_data(self):
296	"""
297	"""
298	return self._manager.get_data()
299
300	def get_state(self):
301	"""
302	Get the current state
303
304	: return: state object
305	"""
306	# Construct the state object
307	state = InversionState()
308
309	# Read the panel's parameters
310	flag, alpha, dmax, nfunc, qmin, \
311	qmax, height, width = self._read_pars()
312
313	state.nfunc = nfunc
314	state.d_max = dmax
315	state.alpha = alpha
316	state.qmin = qmin
317	state.qmax = qmax
318	state.width = width
319	state.height = height
320
321	# Data file
322	state.file = self.plot_data.GetValue()
323
324	# Background evaluation checkbox
325	state.estimate_bck = self.bck_chk.IsChecked()
326
327	# Estimates
328	state.nterms_estimate = self.nterms_estimate
329	state.alpha_estimate = self.alpha_estimate
330
331	# Read the output values
332	state.chi2 = self.chi2
333	state.elapsed = self.elapsed
334	state.osc = self.oscillation
335	state.pos = self.pos
336	state.pos_err = self.pos_err
337	state.rg = self.rg
338	state.iq0 = self.iq0
339	state.bck = self.bck
340
341	return state
342
343	def set_state(self, state):
344	"""
345	Set the state of the panel and inversion problem to
346	the state passed as a parameter.
347	Execute the inversion immediately after filling the
348	controls.
349
350	:param state: InversionState object
351	"""
352	if state.nfunc is not None:
353	self.nfunc = state.nfunc
354	if state.d_max is not None:
355	self.d_max = state.d_max
356	if state.alpha is not None:
357	self.alpha = state.alpha
358	if state.qmin is not None:
359	self.q_min = state.qmin
360	if state.qmax is not None:
361	self.q_max = state.qmax
362	if state.width is not None:
363	self.slit_width = state.width
364	if state.height is not None:
365	self.slit_height = state.height
366
367	# Data file
368	self.plot_data.SetValue(str(state.file))
369
370	# Background evaluation checkbox
371	self.bck_chk.SetValue(state.estimate_bck)
372
373	# Estimates
374	if state.nterms_estimate is not None:
375	self.nterms_estimate = state.nterms_estimate
376	if state.alpha_estimate is not None:
377	self.alpha_estimate = state.alpha_estimate
378
379
380	# Read the output values
381	if state.chi2 is not None:
382	self.chi2 = state.chi2
383	if state.elapsed is not None:
384	self.elapsed = state.elapsed
385	if state.osc is not None:
386	self.oscillation = state.osc
387	if state.pos is not None:
388	self.positive = state.pos
389	if state.pos_err is not None:
390	self.pos_err = state.pos_err
391	if state.rg is not None:
392	self.rg = state.rg
393	if state.iq0 is not None:
394	self.iq0 = state.iq0
395	if state.bck is not None:
396	self.bck = state.bck
397
398	# Perform inversion
399	self._on_invert(None)
400
401	def set_manager(self, manager):
402	self._manager = manager
403
404	def _do_layout(self):
405	vbox = wx.GridBagSizer(0, 0)
406	iy_vb = 0
407
408	# ----- I(q) data -----
409	databox = wx.StaticBox(self, -1, "I(q) data source")
410
411	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
412	boxsizer1.SetMinSize((self._default_width, 50))
413	pars_sizer = wx.GridBagSizer(5, 5)
414
415	iy = 0
416	self.file_radio = wx.StaticText(self, -1, "Name:")
417	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
418	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
419
420	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
421
422	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
423	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
424
425	self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
426	hint_msg = "Check box to let the fit estimate "
427	hint_msg += "the constant background level."
428	self.bck_chk.SetToolTipString(hint_msg)
429	self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
430	iy += 1
431	pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
432	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
433	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
434	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
435	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
436
437	# ----- Add slit parameters -----
438	if True:
439	sbox = wx.StaticBox(self, -1, "Slit parameters")
440	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
441	sboxsizer.SetMinSize((self._default_width, 20))
442
443	sizer_slit = wx.GridBagSizer(5, 5)
444
445	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
446	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
447	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
448	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
449	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
450	hint_msg = "Enter slit height in units of Q or leave blank."
451	self.sheight_ctl.SetToolTipString(hint_msg)
452	hint_msg = "Enter slit width in units of Q or leave blank."
453	self.swidth_ctl.SetToolTipString(hint_msg)
454
455	iy = 0
456	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
457	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
458	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
459	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
460	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
461
462	sboxsizer.Add(sizer_slit, wx.TOP, 15)
463	iy_vb += 1
464	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
465	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
466
467	# ----- Q range -----
468	qbox = wx.StaticBox(self, -1, "Q range")
469	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
470	qboxsizer.SetMinSize((self._default_width, 20))
471
472	sizer_q = wx.GridBagSizer(5, 5)
473
474	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
475	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
476	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
477	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
478	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
479	hint_msg = "Select a lower bound for Q or leave blank."
480	self.qmin_ctl.SetToolTipString(hint_msg)
481	hint_msg = "Select an upper bound for Q or leave blank."
482	self.qmax_ctl.SetToolTipString(hint_msg)
483	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
484	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
485
486	iy = 0
487	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
488	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
489	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
490	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
491	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
492	qboxsizer.Add(sizer_q, wx.TOP, 15)
493
494	iy_vb += 1
495	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
496	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
497
498	# ----- Parameters -----
499	parsbox = wx.StaticBox(self, -1, "Parameters")
500	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
501	boxsizer2.SetMinSize((self._default_width, 50))
502
503	explanation = "P(r) is found by fitting a set of base functions"
504	explanation += " to I(Q). The minimization involves"
505	explanation += " a regularization term to ensure a smooth P(r)."
506	explanation += " The regularization constant gives the size of that "
507	explanation += "term. The suggested value is the value above which the"
508	explanation += " output P(r) will have only one peak."
509	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
510	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
511
512	label_nfunc = wx.StaticText(self, -1, "Number of terms")
513	label_nfunc.SetMinSize((120, 20))
514	label_alpha = wx.StaticText(self, -1, "Regularization constant")
515	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
516	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
517
518	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
519	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
520	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
521	hint_msg = "Control parameter for the size of the regularization term."
522	self.alpha_ctl.SetToolTipString(hint_msg)
523	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
524	hint_msg = "Maximum distance between any two points in the system."
525	self.dmax_ctl.SetToolTipString(hint_msg)
526	wx_id = wx.NewId()
527	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
528	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
529	self.alpha_estimate_ctl.Enable(False)
530	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
531
532	wx_id = wx.NewId()
533	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
534	#self.nterms_estimate_ctl.Hide()
535	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
536	self.nterms_estimate_ctl.Enable(False)
537
538	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
539
540	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
541	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
542	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
543
544	# Distance explorator
545	wx_id = wx.NewId()
546	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
547	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
548
549
550	sizer_params = wx.GridBagSizer(5, 5)
551
552	iy = 0
553	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
554	iy += 1
555	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
556	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
557	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
558	iy += 1
559	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
560	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
561	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
562	iy += 1
563	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
564	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
565	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
566	(1, 1), wx.LEFT, 15)
567
568	boxsizer2.Add(sizer_params, 0)
569
570	iy_vb += 1
571	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
572	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
573
574
575	# ----- Results -----
576	resbox = wx.StaticBox(self, -1, "Outputs")
577	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
578	ressizer.SetMinSize((self._default_width, 50))
579
580	label_rg = wx.StaticText(self, -1, "Rg")
581	label_rg_unit = wx.StaticText(self, -1, "[A]")
582	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
583	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
584	label_bck = wx.StaticText(self, -1, "Background")
585	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
586	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
587	hint_msg = "Radius of gyration for the computed P(r)."
588	self.rg_ctl.SetToolTipString(hint_msg)
589	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
590	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
591	self.iq0_ctl.SetToolTipString(hint_msg)
592	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
593	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
594
595	label_time = wx.StaticText(self, -1, "Computation time")
596	label_time_unit = wx.StaticText(self, -1, "secs")
597	label_time.SetMinSize((120, 20))
598	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
599	label_osc = wx.StaticText(self, -1, "Oscillations")
600	label_pos = wx.StaticText(self, -1, "Positive fraction")
601	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
602
603	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
604	hint_msg = "Computation time for the last inversion, in seconds."
605	self.time_ctl.SetToolTipString(hint_msg)
606
607	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
608	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
609
610	# Oscillation parameter
611	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
612	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
613	hint_msg += " oscillation parameter of 1.1."
614	self.osc_ctl.SetToolTipString(hint_msg)
615
616	# Positive fraction figure of merit
617	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
618	hint_msg = "Fraction of P(r) that is positive. "
619	hint_msg += "Theoretically, P(r) is defined positive."
620	self.pos_ctl.SetToolTipString(hint_msg)
621
622	# 1-simga positive fraction figure of merit
623	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
624	message = "Fraction of P(r) that is at least 1 standard deviation"
625	message += " greater than zero.\n"
626	message += "This figure of merit tells you about the size of the "
627	message += "P(r) errors.\n"
628	message += "If it is close to 1 and the other figures of merit are bad,"
629	message += " consider changing the maximum distance."
630	self.pos_err_ctl.SetToolTipString(message)
631
632	sizer_res = wx.GridBagSizer(5, 5)
633
634	iy = 0
635	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
636	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
637	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
638	iy += 1
639	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
640	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
641	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
642	iy += 1
643	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
644	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
645	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
646	iy += 1
647	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
648	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
649	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
650	iy += 1
651	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
652	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
653	iy += 1
654	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
655	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
656
657	iy += 1
658	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
659	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
660
661	iy += 1
662	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
663	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
664
665	ressizer.Add(sizer_res, 0)
666	iy_vb += 1
667	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
668	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
669
670	# ----- Buttons -----
671	wx_id = wx.NewId()
672	button_ok = wx.Button(self, wx_id, "Compute")
673	button_ok.SetToolTipString("Perform P(r) inversion.")
674	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
675
676	self.button_help = wx.Button(self, -1, "HELP")
677	self.button_help.SetToolTipString("Get help on P(r) inversion.")
678	self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
679
680	self._set_reset_flag(True)
681	self._set_save_flag(True)
682	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
683	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
684	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
685	sizer_button.Add(self.button_help, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
686
687	iy_vb += 1
688	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
689	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
690
691	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
692
693	self.SetSizer(vbox)
694
695	def _on_accept_alpha(self, evt):
696	"""
697	User has accepted the estimated alpha,
698	set it as part of the input parameters
699	"""
700	try:
701	alpha = self.alpha_estimate_ctl.GetLabel()
702	# Check that we have a number
703	float(alpha)
704	self.alpha_ctl.SetValue(alpha)
705	except ValueError:
706	logging.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
707	except:
708	# No estimate or bad estimate, either do nothing
709	logging.error("InversionControl._on_accept_alpha: %s" % sys.exc_value)
710
711	def _on_accept_nterms(self, evt):
712	"""
713	User has accepted the estimated number of terms,
714	set it as part of the input parameters
715	"""
716	try:
717	nterms = self.nterms_estimate_ctl.GetLabel()
718	# Check that we have a number
719	float(nterms)
720	self.nfunc_ctl.SetValue(nterms)
721	except ValueError:
722	logging.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
723	except:
724	# No estimate or bad estimate, either do nothing
725	logging.error("InversionControl._on_accept_nterms: %s" % sys.exc_value)
726
727	def clear_panel(self):
728	"""
729	"""
730	self.plot_data.SetValue("")
731	self.on_reset(event=None)
732
733	def on_reset(self, event=None):
734	"""
735	Resets inversion parameters
736	"""
737	self.nfunc = self._manager.DEFAULT_NFUNC
738	self.d_max = self._manager.DEFAULT_DMAX
739	self.alpha = self._manager.DEFAULT_ALPHA
740	self.qmin_ctl.SetValue("")
741	self.qmax_ctl.SetValue("")
742	self.time_ctl.SetValue("")
743	self.rg_ctl.SetValue("")
744	self.iq0_ctl.SetValue("")
745	self.bck_ctl.SetValue("")
746	self.chi2_ctl.SetValue("")
747	self.osc_ctl.SetValue("")
748	self.pos_ctl.SetValue("")
749	self.pos_err_ctl.SetValue("")
750	self.alpha_estimate_ctl.Enable(False)
751	self.alpha_estimate_ctl.SetLabel("")
752	self.nterms_estimate_ctl.Enable(False)
753	self.nterms_estimate_ctl.SetLabel("")
754	self._on_pars_changed()
755
756	def _on_pars_changed(self, evt=None):
757	"""
758	Called when an input parameter has changed
759	We will estimate the alpha parameter behind the
760	scenes.
761	"""
762	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
763	has_bck = self.bck_chk.IsChecked()
764
765	# If the pars are valid, estimate alpha
766	if flag:
767	self.nterms_estimate_ctl.Enable(False)
768	self.alpha_estimate_ctl.Enable(False)
769
770	dataset = self.plot_data.GetValue()
771	if dataset is not None and dataset.strip() != "":
772	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
773	d_max=dmax,
774	q_min=qmin, q_max=qmax,
775	bck=has_bck,
776	height=height,
777	width=width)
778
779	def _read_pars(self, evt=None):
780	"""
781	"""
782	alpha = 0
783	nfunc = 5
784	dmax = 120
785	qmin = 0
786	qmax = 0
787	height = 0
788	width = 0
789	flag = True
790	# Read slit height
791	try:
792	height_str = self.sheight_ctl.GetValue()
793	if len(height_str.lstrip().rstrip()) == 0:
794	height = 0
795	else:
796	height = float(height_str)
797	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
798	self.sheight_ctl.Refresh()
799	except:
800	flag = False
801	self.sheight_ctl.SetBackgroundColour("pink")
802	self.sheight_ctl.Refresh()
803
804	# Read slit width
805	try:
806	width_str = self.swidth_ctl.GetValue()
807	if len(width_str.lstrip().rstrip()) == 0:
808	width = 0
809	else:
810	width = float(width_str)
811	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
812	self.swidth_ctl.Refresh()
813	except:
814	flag = False
815	self.swidth_ctl.SetBackgroundColour("pink")
816	self.swidth_ctl.Refresh()
817
818	# Read alpha
819	try:
820	alpha = float(self.alpha_ctl.GetValue())
821	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
822	self.alpha_ctl.Refresh()
823	except:
824	flag = False
825	self.alpha_ctl.SetBackgroundColour("pink")
826	self.alpha_ctl.Refresh()
827
828	# Read d_max
829	try:
830	dmax = float(self.dmax_ctl.GetValue())
831	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
832	self.dmax_ctl.Refresh()
833	except:
834	flag = False
835	self.dmax_ctl.SetBackgroundColour("pink")
836	self.dmax_ctl.Refresh()
837
838	# Read nfunc
839	try:
840	nfunc = int(self.nfunc_ctl.GetValue())
841	npts = self._manager.get_npts()
842	if npts > 0 and nfunc > npts:
843	message = "Number of function terms should be smaller "
844	message += "than the number of points"
845	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
846	raise ValueError, message
847	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
848	self.nfunc_ctl.Refresh()
849	except:
850	flag = False
851	self.nfunc_ctl.SetBackgroundColour("pink")
852	self.nfunc_ctl.Refresh()
853
854	# Read qmin
855	try:
856	qmin_str = self.qmin_ctl.GetValue()
857	if len(qmin_str.lstrip().rstrip()) == 0:
858	qmin = None
859	else:
860	qmin = float(qmin_str)
861	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
862	self.qmin_ctl.Refresh()
863	except:
864	flag = False
865	self.qmin_ctl.SetBackgroundColour("pink")
866	self.qmin_ctl.Refresh()
867
868	# Read qmax
869	try:
870	qmax_str = self.qmax_ctl.GetValue()
871	if len(qmax_str.lstrip().rstrip()) == 0:
872	qmax = None
873	else:
874	qmax = float(qmax_str)
875	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
876	self.qmax_ctl.Refresh()
877	except:
878	flag = False
879	self.qmax_ctl.SetBackgroundColour("pink")
880	self.qmax_ctl.Refresh()
881
882	return flag, alpha, dmax, nfunc, qmin, qmax, height, width
883
884	def _on_explore(self, evt):
885	"""
886	Invoke the d_max exploration dialog
887	"""
888	from explore_dialog import ExploreDialog
889	if self._manager._last_pr is not None:
890	pr = self._manager._create_plot_pr()
891	dialog = ExploreDialog(pr, 10, None, -1, "")
892	dialog.Show()
893	else:
894	message = "No data to analyze. Please load a data set to proceed."
895	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
896
897	def _on_invert(self, evt):
898	"""
899	Perform inversion
900
901	:param silent: when True, there will be no output for the user
902
903	"""
904	# Get the data from the form
905	# Push it to the manager
906
907	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
908	has_bck = self.bck_chk.IsChecked()
909
910	if flag:
911	dataset = self.plot_data.GetValue()
912	if dataset == None or len(dataset.strip()) == 0:
913	message = "No data to invert. Select a data set before"
914	message += " proceeding with P(r) inversion."
915	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
916	else:
917	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
918	d_max=dmax,
919	q_min=qmin, q_max=qmax,
920	bck=has_bck,
921	height=height,
922	width=width)
923	else:
924	message = "The P(r) form contains invalid values: "
925	message += "please submit it again."
926	wx.PostEvent(self.parent, StatusEvent(status=message))
927
928	def _change_file(self, evt=None, filepath=None, data=None):
929	"""
930	Choose a new input file for I(q)
931	"""
932	if not self._manager is None:
933	self.plot_data.SetValue(str(data.name))
934	try:
935	self._manager.show_data(data=data, reset=True)
936	self._on_pars_changed(None)
937	self._on_invert(None)
938	except:
939	msg = "InversionControl._change_file: %s" % sys.exc_value
940	logging.error(msg)
941
942	def on_help(self, event):
943	"""
944	Bring up the P(r) Documentation whenever
945	the HELP button is clicked.
946
947	Calls DocumentationWindow with the path of the location within the
948	documentation tree (after /doc/ ....". Note that when using old
949	versions of Wx (before 2.9) and thus not the release version of
950	installers, the help comes up at the top level of the file as
951	webbrowser does not pass anything past the # to the browser when it is
952	running "file:///...."
953
954	:param evt: Triggers on clicking the help button
955	"""
956
957	_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
958	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
959	"P(r) Help")
960
961
962	class PrDistDialog(wx.Dialog):
963	"""
964	Property dialog to let the user change the number
965	of points on the P(r) plot.
966	"""
967	def __init__(self, parent, id):
968	from sas.sascalc.pr.invertor import help
969	wx.Dialog.__init__(self, parent, id, size=(250, 120))
970	self.SetTitle("P(r) distribution")
971
972
973	vbox = wx.BoxSizer(wx.VERTICAL)
974
975	label_npts = wx.StaticText(self, -1, "Number of points")
976	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
977
978	pars_sizer = wx.GridBagSizer(5, 5)
979	iy = 0
980	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
981	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
982
983	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
984
985	static_line = wx.StaticLine(self, -1)
986	vbox.Add(static_line, 0, wx.EXPAND, 0)
987
988	button_ok = wx.Button(self, wx.ID_OK, "OK")
989	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
990	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
991
992	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
993	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
994	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
995	sizer_button.Add(button_cancel, 0,
996	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
997	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
998
999	self.SetSizer(vbox)
1000	self.SetAutoLayout(True)
1001
1002	self.Layout()
1003	self.Centre()
1004
1005	def _checkValues(self, event):
1006	"""
1007	Check the dialog content.
1008	"""
1009	flag = True
1010	try:
1011	int(self.npts_ctl.GetValue())
1012	self.npts_ctl.SetBackgroundColour(wx.WHITE)
1013	self.npts_ctl.Refresh()
1014	except:
1015	flag = False
1016	self.npts_ctl.SetBackgroundColour("pink")
1017	self.npts_ctl.Refresh()
1018	if flag:
1019	event.Skip(True)
1020
1021	def get_content(self):
1022	"""
1023	Return the content of the dialog.
1024	At this point the values have already been
1025	checked.
1026	"""
1027	value = int(self.npts_ctl.GetValue())
1028	return value
1029
1030	def set_content(self, npts):
1031	"""
1032	Initialize the content of the dialog.
1033	"""
1034	self.npts_ctl.SetValue("%i" % npts)

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source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ 033c14c

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