inversion_panel.py @ 7d8bebf

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc

Last change on this file since 7d8bebf was 7432acb, checked in by andyfaff, 8 years ago
MAINT: search+replace '!= None' by 'is not None'
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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	logger = logging.getLogger(__name__)
21
22	if sys.platform.count("win32") > 0:
23	FONT_VARIANT = 0
24	else:
25	FONT_VARIANT = 1
26
27	class InversionControl(ScrolledPanel, PanelBase):
28	"""
29	"""
30	window_name = 'pr_control'
31	window_caption = "P(r) control panel"
32	CENTER_PANE = True
33
34	# Figure of merit parameters [default]
35
36	## Oscillation parameters (sin function = 1.1)
37	oscillation_max = 1.5
38
39	def __init__(self, parent, id=-1, plots=None, **kwargs):
40	"""
41	"""
42	ScrolledPanel.__init__(self, parent, id=id, **kwargs)
43	PanelBase.__init__(self, parent)
44	self.SetupScrolling()
45	#Set window's font size
46	self.SetWindowVariant(variant=FONT_VARIANT)
47	self._set_analysis(False)
48
49	self.plots = plots
50	self.radio_buttons = {}
51	self.parent = parent.parent
52
53	## Data file TextCtrl
54	self.data_file = None
55	self.plot_data = None
56	self.nfunc_ctl = None
57	self.alpha_ctl = None
58	self.dmax_ctl = None
59	self.time_ctl = None
60	self.chi2_ctl = None
61	self.osc_ctl = None
62	self.file_radio = None
63	self.plot_radio = None
64	self.label_sugg = None
65	self.qmin_ctl = None
66	self.qmax_ctl = None
67	self.swidth_ctl = None
68	self.sheight_ctl = None
69
70	self.rg_ctl = None
71	self.iq0_ctl = None
72	self.bck_chk = None
73	self.bck_ctl = None
74
75	# TextCtrl for fraction of positive P(r)
76	self.pos_ctl = None
77
78	# TextCtrl for fraction of 1 sigma positive P(r)
79	self.pos_err_ctl = None
80
81	## Estimates
82	self.alpha_estimate_ctl = None
83	self.nterms_estimate_ctl = None
84	## D_max distance explorator
85	self.distance_explorator_ctl = None
86	## Data manager
87	self._manager = None
88	## Default file location for save
89	self._default_save_location = os.getcwd()
90	if self.parent is not None:
91	self._default_save_location = \
92	self.parent._default_save_location
93
94	# Default width
95	self._default_width = 350
96	self._do_layout()
97
98	def __setattr__(self, name, value):
99	"""
100	Allow direct hooks to text boxes
101	"""
102	if name == 'nfunc':
103	self.nfunc_ctl.SetValue(str(int(value)))
104	elif name == 'd_max':
105	self.dmax_ctl.SetValue(str(value))
106	elif name == 'alpha':
107	self.alpha_ctl.SetValue(str(value))
108	elif name == 'chi2':
109	self.chi2_ctl.SetValue("%-5.2g" % value)
110	elif name == 'bck':
111	self.bck_ctl.SetValue("%-5.2g" % value)
112	elif name == 'q_min':
113	self.qmin_ctl.SetValue("%-5.2g" % value)
114	elif name == 'q_max':
115	self.qmax_ctl.SetValue("%-5.2g" % value)
116	elif name == 'elapsed':
117	self.time_ctl.SetValue("%-5.2g" % value)
118	elif name == 'rg':
119	self.rg_ctl.SetValue("%-5.2g" % value)
120	elif name == 'iq0':
121	self.iq0_ctl.SetValue("%-5.2g" % value)
122	elif name == 'oscillation':
123	self.osc_ctl.SetValue("%-5.2g" % value)
124	elif name == 'slit_width':
125	self.swidth_ctl.SetValue("%-5.2g" % value)
126	elif name == 'slit_height':
127	self.sheight_ctl.SetValue("%-5.2g" % value)
128	elif name == 'positive':
129	self.pos_ctl.SetValue("%-5.2g" % value)
130	elif name == 'pos_err':
131	self.pos_err_ctl.SetValue("%-5.2g" % value)
132	elif name == 'alpha_estimate':
133	self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
134	self.alpha_estimate_ctl.Enable(True)
135	self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
136	#self.alpha_estimate_ctl.Show()
137	#self.label_sugg.Show()
138	elif name == 'nterms_estimate':
139	self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
140	self.nterms_estimate_ctl.Enable(True)
141	self.nterms_estimate_ctl.SetLabel("%-g" % value)
142	elif name == 'plotname':
143	self.plot_data.SetValue(str(value))
144	self._on_pars_changed(None)
145	elif name == 'datafile':
146	self.plot_data.SetValue(str(value))
147	self._on_pars_changed(None)
148	else:
149	wx.Panel.__setattr__(self, name, value)
150
151	def __getattr__(self, name):
152	"""
153	Allow direct hooks to text boxes
154	"""
155	if name == 'nfunc':
156	try:
157	return int(self.nfunc_ctl.GetValue())
158	except:
159	return -1
160	elif name == 'd_max':
161	try:
162	return self.dmax_ctl.GetValue()
163	except:
164	return -1.0
165	elif name == 'alpha':
166	try:
167	return self.alpha_ctl.GetValue()
168	except:
169	return -1.0
170	elif name == 'chi2':
171	try:
172	return float(self.chi2_ctl.GetValue())
173	except:
174	return None
175	elif name == 'bck':
176	try:
177	return float(self.bck_ctl.GetValue())
178	except:
179	return None
180	elif name == 'q_min':
181	try:
182	return float(self.qmin_ctl.GetValue())
183	except:
184	return 0.0
185	elif name == 'q_max':
186	try:
187	return float(self.qmax_ctl.GetValue())
188	except:
189	return 0.0
190	elif name == 'elapsed':
191	try:
192	return float(self.time_ctl.GetValue())
193	except:
194	return None
195	elif name == 'rg':
196	try:
197	return float(self.rg_ctl.GetValue())
198	except:
199	return None
200	elif name == 'iq0':
201	try:
202	return float(self.iq0_ctl.GetValue())
203	except:
204	return None
205	elif name == 'oscillation':
206	try:
207	return float(self.osc_ctl.GetValue())
208	except:
209	return None
210	elif name == 'slit_width':
211	try:
212	return float(self.swidth_ctl.GetValue())
213	except:
214	return None
215	elif name == 'slit_height':
216	try:
217	return float(self.sheight_ctl.GetValue())
218	except:
219	return None
220	elif name == 'pos':
221	try:
222	return float(self.pos_ctl.GetValue())
223	except:
224	return None
225	elif name == 'pos_err':
226	try:
227	return float(self.pos_err_ctl.GetValue())
228	except:
229	return None
230	elif name == 'alpha_estimate':
231	try:
232	return float(self.alpha_estimate_ctl.GetLabel())
233	except:
234	return None
235	elif name == 'nterms_estimate':
236	try:
237	return int(self.nterms_estimate_ctl.GetLabel())
238	except:
239	return None
240	elif name == 'plotname':
241	return self.plot_data.GetValue()
242	elif name == 'datafile':
243	return self.plot_data.GetValue()
244	else:
245	return wx.Panel.__getattribute__(self, name)
246
247	def save_project(self, doc=None):
248	"""
249	return an xml node containing state of the panel
250	that guiframe can write to file
251	"""
252	data = self.get_data()
253	state = self.get_state()
254	if data is not None:
255	new_doc = self._manager.state_reader.write_toXML(data, state)
256	if new_doc is not None:
257	if doc is not None and hasattr(doc, "firstChild"):
258	child = new_doc.getElementsByTagName("SASentry")
259	for item in child:
260	doc.firstChild.appendChild(item)
261	else:
262	doc = new_doc
263	return doc
264
265	def on_save(self, evt=None):
266	"""
267	Method used to create a memento of the current state
268
269	:return: state object
270	"""
271	# Ask the user the location of the file to write to.
272	path = None
273	if self.parent is not None:
274	self._default_save_location = self.parent._default_save_location
275	dlg = wx.FileDialog(self, "Choose a file",
276	self._default_save_location,
277	self.window_caption, "*.prv", wx.SAVE)
278	if dlg.ShowModal() == wx.ID_OK:
279	path = dlg.GetPath()
280	self._default_save_location = os.path.dirname(path)
281	if self.parent is not None:
282	self.parent._default_save_location = self._default_save_location
283	else:
284	return None
285
286	dlg.Destroy()
287
288	state = self.get_state()
289
290	# MAC always needs the extension for saving
291	extens = ".prv"
292	# Make sure the ext included in the file name
293	fName = os.path.splitext(path)[0] + extens
294	self._manager.save_data(filepath=fName, prstate=state)
295
296	return state
297
298	def get_data(self):
299	"""
300	"""
301	return self._manager.get_data()
302
303	def get_state(self):
304	"""
305	Get the current state
306
307	: return: state object
308	"""
309	# Construct the state object
310	state = InversionState()
311
312	# Read the panel's parameters
313	flag, alpha, dmax, nfunc, qmin, \
314	qmax, height, width = self._read_pars()
315
316	state.nfunc = nfunc
317	state.d_max = dmax
318	state.alpha = alpha
319	state.qmin = qmin
320	state.qmax = qmax
321	state.width = width
322	state.height = height
323
324	# Data file
325	state.file = self.plot_data.GetValue()
326
327	# Background evaluation checkbox
328	state.estimate_bck = self.bck_chk.IsChecked()
329
330	# Estimates
331	state.nterms_estimate = self.nterms_estimate
332	state.alpha_estimate = self.alpha_estimate
333
334	# Read the output values
335	state.chi2 = self.chi2
336	state.elapsed = self.elapsed
337	state.osc = self.oscillation
338	state.pos = self.pos
339	state.pos_err = self.pos_err
340	state.rg = self.rg
341	state.iq0 = self.iq0
342	state.bck = self.bck
343
344	return state
345
346	def set_state(self, state):
347	"""
348	Set the state of the panel and inversion problem to
349	the state passed as a parameter.
350	Execute the inversion immediately after filling the
351	controls.
352
353	:param state: InversionState object
354	"""
355	if state.nfunc is not None:
356	self.nfunc = state.nfunc
357	if state.d_max is not None:
358	self.d_max = state.d_max
359	if state.alpha is not None:
360	self.alpha = state.alpha
361	if state.qmin is not None:
362	self.q_min = state.qmin
363	if state.qmax is not None:
364	self.q_max = state.qmax
365	if state.width is not None:
366	self.slit_width = state.width
367	if state.height is not None:
368	self.slit_height = state.height
369
370	# Data file
371	self.plot_data.SetValue(str(state.file))
372
373	# Background evaluation checkbox
374	self.bck_chk.SetValue(state.estimate_bck)
375
376	# Estimates
377	if state.nterms_estimate is not None:
378	self.nterms_estimate = state.nterms_estimate
379	if state.alpha_estimate is not None:
380	self.alpha_estimate = state.alpha_estimate
381
382
383	# Read the output values
384	if state.chi2 is not None:
385	self.chi2 = state.chi2
386	if state.elapsed is not None:
387	self.elapsed = state.elapsed
388	if state.osc is not None:
389	self.oscillation = state.osc
390	if state.pos is not None:
391	self.positive = state.pos
392	if state.pos_err is not None:
393	self.pos_err = state.pos_err
394	if state.rg is not None:
395	self.rg = state.rg
396	if state.iq0 is not None:
397	self.iq0 = state.iq0
398	if state.bck is not None:
399	self.bck = state.bck
400
401	# We have the data available for serialization
402	self._set_analysis(True)
403
404	# Perform inversion
405	self._on_invert(None)
406
407	def set_manager(self, manager):
408	self._manager = manager
409	if manager is not None:
410	self._set_analysis(False)
411
412	def _do_layout(self):
413	vbox = wx.GridBagSizer(0, 0)
414	iy_vb = 0
415
416	# ----- I(q) data -----
417	databox = wx.StaticBox(self, -1, "I(q) data source")
418
419	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
420	boxsizer1.SetMinSize((self._default_width, 50))
421	pars_sizer = wx.GridBagSizer(5, 5)
422
423	iy = 0
424	self.file_radio = wx.StaticText(self, -1, "Name:")
425	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
426	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
427
428	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
429
430	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
431	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
432
433	self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
434	hint_msg = "Check box to let the fit estimate "
435	hint_msg += "the constant background level."
436	self.bck_chk.SetToolTipString(hint_msg)
437	self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
438	iy += 1
439	pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
440	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
441	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
442	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
443	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
444
445	# ----- Add slit parameters -----
446	if True:
447	sbox = wx.StaticBox(self, -1, "Slit parameters")
448	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
449	sboxsizer.SetMinSize((self._default_width, 20))
450
451	sizer_slit = wx.GridBagSizer(5, 5)
452
453	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
454	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
455	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
456	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
457	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
458	hint_msg = "Enter slit height in units of Q or leave blank."
459	self.sheight_ctl.SetToolTipString(hint_msg)
460	hint_msg = "Enter slit width in units of Q or leave blank."
461	self.swidth_ctl.SetToolTipString(hint_msg)
462
463	iy = 0
464	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
465	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
466	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
467	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
468	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
469
470	sboxsizer.Add(sizer_slit, wx.TOP, 15)
471	iy_vb += 1
472	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
473	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
474
475	# ----- Q range -----
476	qbox = wx.StaticBox(self, -1, "Q range")
477	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
478	qboxsizer.SetMinSize((self._default_width, 20))
479
480	sizer_q = wx.GridBagSizer(5, 5)
481
482	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
483	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
484	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
485	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
486	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
487	hint_msg = "Select a lower bound for Q or leave blank."
488	self.qmin_ctl.SetToolTipString(hint_msg)
489	hint_msg = "Select an upper bound for Q or leave blank."
490	self.qmax_ctl.SetToolTipString(hint_msg)
491	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
492	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
493
494	iy = 0
495	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
496	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
497	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
498	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
499	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
500	qboxsizer.Add(sizer_q, wx.TOP, 15)
501
502	iy_vb += 1
503	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
504	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
505
506	# ----- Parameters -----
507	parsbox = wx.StaticBox(self, -1, "Parameters")
508	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
509	boxsizer2.SetMinSize((self._default_width, 50))
510
511	explanation = "P(r) is found by fitting a set of base functions"
512	explanation += " to I(Q). The minimization involves"
513	explanation += " a regularization term to ensure a smooth P(r)."
514	explanation += " The regularization constant gives the size of that "
515	explanation += "term. The suggested value is the value above which the"
516	explanation += " output P(r) will have only one peak."
517	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
518	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
519
520	label_nfunc = wx.StaticText(self, -1, "Number of terms")
521	label_nfunc.SetMinSize((120, 20))
522	label_alpha = wx.StaticText(self, -1, "Regularization constant")
523	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
524	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
525
526	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
527	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
528	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
529	hint_msg = "Control parameter for the size of the regularization term."
530	self.alpha_ctl.SetToolTipString(hint_msg)
531	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
532	hint_msg = "Maximum distance between any two points in the system."
533	self.dmax_ctl.SetToolTipString(hint_msg)
534	wx_id = wx.NewId()
535	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
536	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
537	self.alpha_estimate_ctl.Enable(False)
538	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
539
540	wx_id = wx.NewId()
541	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
542	#self.nterms_estimate_ctl.Hide()
543	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
544	self.nterms_estimate_ctl.Enable(False)
545
546	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
547
548	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
549	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
550	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
551
552	# Distance explorator
553	wx_id = wx.NewId()
554	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
555	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
556
557
558	sizer_params = wx.GridBagSizer(5, 5)
559
560	iy = 0
561	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
562	iy += 1
563	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
564	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
565	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
566	iy += 1
567	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
568	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
569	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
570	iy += 1
571	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
572	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
573	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
574	(1, 1), wx.LEFT, 15)
575
576	boxsizer2.Add(sizer_params, 0)
577
578	iy_vb += 1
579	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
580	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
581
582
583	# ----- Results -----
584	resbox = wx.StaticBox(self, -1, "Outputs")
585	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
586	ressizer.SetMinSize((self._default_width, 50))
587
588	label_rg = wx.StaticText(self, -1, "Rg")
589	label_rg_unit = wx.StaticText(self, -1, "[A]")
590	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
591	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
592	label_bck = wx.StaticText(self, -1, "Background")
593	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
594	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
595	hint_msg = "Radius of gyration for the computed P(r)."
596	self.rg_ctl.SetToolTipString(hint_msg)
597	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
598	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
599	self.iq0_ctl.SetToolTipString(hint_msg)
600	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
601	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
602
603	label_time = wx.StaticText(self, -1, "Computation time")
604	label_time_unit = wx.StaticText(self, -1, "secs")
605	label_time.SetMinSize((120, 20))
606	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
607	label_osc = wx.StaticText(self, -1, "Oscillations")
608	label_pos = wx.StaticText(self, -1, "Positive fraction")
609	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
610
611	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
612	hint_msg = "Computation time for the last inversion, in seconds."
613	self.time_ctl.SetToolTipString(hint_msg)
614
615	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
616	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
617
618	# Oscillation parameter
619	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
620	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
621	hint_msg += " oscillation parameter of 1.1."
622	self.osc_ctl.SetToolTipString(hint_msg)
623
624	# Positive fraction figure of merit
625	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
626	hint_msg = "Fraction of P(r) that is positive. "
627	hint_msg += "Theoretically, P(r) is defined positive."
628	self.pos_ctl.SetToolTipString(hint_msg)
629
630	# 1-simga positive fraction figure of merit
631	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
632	message = "Fraction of P(r) that is at least 1 standard deviation"
633	message += " greater than zero.\n"
634	message += "This figure of merit tells you about the size of the "
635	message += "P(r) errors.\n"
636	message += "If it is close to 1 and the other figures of merit are bad,"
637	message += " consider changing the maximum distance."
638	self.pos_err_ctl.SetToolTipString(message)
639
640	sizer_res = wx.GridBagSizer(5, 5)
641
642	iy = 0
643	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
644	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
645	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
646	iy += 1
647	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
648	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
649	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
650	iy += 1
651	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
652	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
653	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
654	iy += 1
655	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
656	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
657	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
658	iy += 1
659	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
660	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
661	iy += 1
662	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
663	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
664
665	iy += 1
666	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
667	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
668
669	iy += 1
670	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
671	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
672
673	ressizer.Add(sizer_res, 0)
674	iy_vb += 1
675	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
676	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
677
678	# ----- Buttons -----
679	wx_id = wx.NewId()
680	button_ok = wx.Button(self, wx_id, "Compute")
681	button_ok.SetToolTipString("Perform P(r) inversion.")
682	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
683
684	self.button_help = wx.Button(self, -1, "HELP")
685	self.button_help.SetToolTipString("Get help on P(r) inversion.")
686	self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
687
688	self._set_reset_flag(True)
689	self._set_save_flag(True)
690	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
691	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
692	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
693	sizer_button.Add(self.button_help, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
694
695	iy_vb += 1
696	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
697	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
698
699	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
700
701	self.SetSizer(vbox)
702
703	def _on_accept_alpha(self, evt):
704	"""
705	User has accepted the estimated alpha,
706	set it as part of the input parameters
707	"""
708	try:
709	alpha = self.alpha_estimate_ctl.GetLabel()
710	# Check that we have a number
711	float(alpha)
712	self.alpha_ctl.SetValue(alpha)
713	except ValueError:
714	logger.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
715	except:
716	# No estimate or bad estimate, either do nothing
717	logger.error("InversionControl._on_accept_alpha: %s" % sys.exc_value)
718
719	def _on_accept_nterms(self, evt):
720	"""
721	User has accepted the estimated number of terms,
722	set it as part of the input parameters
723	"""
724	try:
725	nterms = self.nterms_estimate_ctl.GetLabel()
726	# Check that we have a number
727	float(nterms)
728	self.nfunc_ctl.SetValue(nterms)
729	except ValueError:
730	logger.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
731	except:
732	# No estimate or bad estimate, either do nothing
733	logger.error("InversionControl._on_accept_nterms: %s" % sys.exc_value)
734
735	def clear_panel(self):
736	"""
737	"""
738	self.plot_data.SetValue("")
739	self.on_reset(event=None)
740
741	def on_reset(self, event=None):
742	"""
743	Resets inversion parameters
744	"""
745	self.nfunc = self._manager.DEFAULT_NFUNC
746	self.d_max = self._manager.DEFAULT_DMAX
747	self.alpha = self._manager.DEFAULT_ALPHA
748	self.qmin_ctl.SetValue("")
749	self.qmax_ctl.SetValue("")
750	self.time_ctl.SetValue("")
751	self.rg_ctl.SetValue("")
752	self.iq0_ctl.SetValue("")
753	self.bck_ctl.SetValue("")
754	self.chi2_ctl.SetValue("")
755	self.osc_ctl.SetValue("")
756	self.pos_ctl.SetValue("")
757	self.pos_err_ctl.SetValue("")
758	self.alpha_estimate_ctl.Enable(False)
759	self.alpha_estimate_ctl.SetLabel("")
760	self.nterms_estimate_ctl.Enable(False)
761	self.nterms_estimate_ctl.SetLabel("")
762	self._set_analysis(False)
763
764	self._on_pars_changed()
765
766	def _on_pars_changed(self, evt=None):
767	"""
768	Called when an input parameter has changed
769	We will estimate the alpha parameter behind the
770	scenes.
771	"""
772	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
773	has_bck = self.bck_chk.IsChecked()
774
775	# If the pars are valid, estimate alpha
776	if flag:
777	self.nterms_estimate_ctl.Enable(False)
778	self.alpha_estimate_ctl.Enable(False)
779
780	dataset = self.plot_data.GetValue()
781	if dataset is not None and dataset.strip() != "":
782	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
783	d_max=dmax,
784	q_min=qmin, q_max=qmax,
785	bck=has_bck,
786	height=height,
787	width=width)
788
789	def _read_pars(self, evt=None):
790	"""
791	"""
792	alpha = 0
793	nfunc = 5
794	dmax = 120
795	qmin = 0
796	qmax = 0
797	height = 0
798	width = 0
799	flag = True
800	# Read slit height
801	try:
802	height_str = self.sheight_ctl.GetValue()
803	if len(height_str.lstrip().rstrip()) == 0:
804	height = 0
805	else:
806	height = float(height_str)
807	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
808	self.sheight_ctl.Refresh()
809	except:
810	flag = False
811	self.sheight_ctl.SetBackgroundColour("pink")
812	self.sheight_ctl.Refresh()
813
814	# Read slit width
815	try:
816	width_str = self.swidth_ctl.GetValue()
817	if len(width_str.lstrip().rstrip()) == 0:
818	width = 0
819	else:
820	width = float(width_str)
821	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
822	self.swidth_ctl.Refresh()
823	except:
824	flag = False
825	self.swidth_ctl.SetBackgroundColour("pink")
826	self.swidth_ctl.Refresh()
827
828	# Read alpha
829	try:
830	alpha = float(self.alpha_ctl.GetValue())
831	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
832	self.alpha_ctl.Refresh()
833	except:
834	flag = False
835	self.alpha_ctl.SetBackgroundColour("pink")
836	self.alpha_ctl.Refresh()
837
838	# Read d_max
839	try:
840	dmax = float(self.dmax_ctl.GetValue())
841	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
842	self.dmax_ctl.Refresh()
843	except:
844	flag = False
845	self.dmax_ctl.SetBackgroundColour("pink")
846	self.dmax_ctl.Refresh()
847
848	# Read nfunc
849	try:
850	nfunc = int(self.nfunc_ctl.GetValue())
851	npts = self._manager.get_npts()
852	if npts > 0 and nfunc > npts:
853	message = "Number of function terms should be smaller "
854	message += "than the number of points"
855	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
856	raise ValueError, message
857	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
858	self.nfunc_ctl.Refresh()
859	except:
860	flag = False
861	self.nfunc_ctl.SetBackgroundColour("pink")
862	self.nfunc_ctl.Refresh()
863
864	# Read qmin
865	try:
866	qmin_str = self.qmin_ctl.GetValue()
867	if len(qmin_str.lstrip().rstrip()) == 0:
868	qmin = None
869	else:
870	qmin = float(qmin_str)
871	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
872	self.qmin_ctl.Refresh()
873	except:
874	flag = False
875	self.qmin_ctl.SetBackgroundColour("pink")
876	self.qmin_ctl.Refresh()
877
878	# Read qmax
879	try:
880	qmax_str = self.qmax_ctl.GetValue()
881	if len(qmax_str.lstrip().rstrip()) == 0:
882	qmax = None
883	else:
884	qmax = float(qmax_str)
885	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
886	self.qmax_ctl.Refresh()
887	except:
888	flag = False
889	self.qmax_ctl.SetBackgroundColour("pink")
890	self.qmax_ctl.Refresh()
891
892	return flag, alpha, dmax, nfunc, qmin, qmax, height, width
893
894	def _on_explore(self, evt):
895	"""
896	Invoke the d_max exploration dialog
897	"""
898	from explore_dialog import ExploreDialog
899	if self._manager._last_pr is not None:
900	pr = self._manager._create_plot_pr()
901	dialog = ExploreDialog(pr, 10, None, -1, "")
902	dialog.Show()
903	else:
904	message = "No data to analyze. Please load a data set to proceed."
905	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
906
907	def _on_invert(self, evt):
908	"""
909	Perform inversion
910
911	:param silent: when True, there will be no output for the user
912
913	"""
914	# Get the data from the form
915	# Push it to the manager
916
917	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
918	has_bck = self.bck_chk.IsChecked()
919
920	if flag:
921	dataset = self.plot_data.GetValue()
922	if dataset is None or len(dataset.strip()) == 0:
923	message = "No data to invert. Select a data set before"
924	message += " proceeding with P(r) inversion."
925	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
926	else:
927	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
928	d_max=dmax,
929	q_min=qmin, q_max=qmax,
930	bck=has_bck,
931	height=height,
932	width=width)
933	else:
934	message = "The P(r) form contains invalid values: "
935	message += "please submit it again."
936	wx.PostEvent(self.parent, StatusEvent(status=message))
937
938	def _change_file(self, evt=None, filepath=None, data=None):
939	"""
940	Choose a new input file for I(q)
941	"""
942	if self._manager is not None:
943	self.plot_data.SetValue(str(data.name))
944	try:
945	self._manager.show_data(data=data, reset=True)
946	self._on_pars_changed(None)
947	self._on_invert(None)
948	self._set_analysis(True)
949	except:
950	msg = "InversionControl._change_file: %s" % sys.exc_value
951	logger.error(msg)
952
953	def on_help(self, event):
954	"""
955	Bring up the P(r) Documentation whenever
956	the HELP button is clicked.
957
958	Calls DocumentationWindow with the path of the location within the
959	documentation tree (after /doc/ ....". Note that when using old
960	versions of Wx (before 2.9) and thus not the release version of
961	installers, the help comes up at the top level of the file as
962	webbrowser does not pass anything past the # to the browser when it is
963	running "file:///...."
964
965	:param evt: Triggers on clicking the help button
966	"""
967
968	_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
969	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
970	"P(r) Help")
971
972
973	class PrDistDialog(wx.Dialog):
974	"""
975	Property dialog to let the user change the number
976	of points on the P(r) plot.
977	"""
978	def __init__(self, parent, id):
979	from sas.sascalc.pr.invertor import help
980	wx.Dialog.__init__(self, parent, id, size=(250, 120))
981	self.SetTitle("P(r) distribution")
982
983
984	vbox = wx.BoxSizer(wx.VERTICAL)
985
986	label_npts = wx.StaticText(self, -1, "Number of points")
987	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
988
989	pars_sizer = wx.GridBagSizer(5, 5)
990	iy = 0
991	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
992	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
993
994	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
995
996	static_line = wx.StaticLine(self, -1)
997	vbox.Add(static_line, 0, wx.EXPAND, 0)
998
999	button_ok = wx.Button(self, wx.ID_OK, "OK")
1000	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
1001	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
1002
1003	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
1004	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
1005	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1006	sizer_button.Add(button_cancel, 0,
1007	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1008	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
1009
1010	self.SetSizer(vbox)
1011	self.SetAutoLayout(True)
1012
1013	self.Layout()
1014	self.Centre()
1015
1016	def _checkValues(self, event):
1017	"""
1018	Check the dialog content.
1019	"""
1020	flag = True
1021	try:
1022	int(self.npts_ctl.GetValue())
1023	self.npts_ctl.SetBackgroundColour(wx.WHITE)
1024	self.npts_ctl.Refresh()
1025	except:
1026	flag = False
1027	self.npts_ctl.SetBackgroundColour("pink")
1028	self.npts_ctl.Refresh()
1029	if flag:
1030	event.Skip(True)
1031
1032	def get_content(self):
1033	"""
1034	Return the content of the dialog.
1035	At this point the values have already been
1036	checked.
1037	"""
1038	value = int(self.npts_ctl.GetValue())
1039	return value
1040
1041	def set_content(self, npts):
1042	"""
1043	Initialize the content of the dialog.
1044	"""
1045	self.npts_ctl.SetValue("%i" % npts)

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source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ 7d8bebf

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