inversion_panel.py @ 5c3c310

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 5c3c310 was 5c3c310, checked in by lewis, 7 years ago

Add manual background input to Pr perspective

Manual background value isn't yet used in the calculation

Property mode set to 100644

File size: 39.4 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	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_value = None
73	self.bck_est_ctl = None
74	self.bck_man_ctl = None
75	self.has_bck = True
76	self.bck_input = None
77	self.bck_ctl = None
78
79	# TextCtrl for fraction of positive P(r)
80	self.pos_ctl = None
81
82	# TextCtrl for fraction of 1 sigma positive P(r)
83	self.pos_err_ctl = None
84
85	## Estimates
86	self.alpha_estimate_ctl = None
87	self.nterms_estimate_ctl = None
88	## D_max distance explorator
89	self.distance_explorator_ctl = None
90	## Data manager
91	self._manager = None
92	## Default file location for save
93	self._default_save_location = os.getcwd()
94	if self.parent is not None:
95	self._default_save_location = \
96	self.parent._default_save_location
97
98	# Default width
99	self._default_width = 350
100	self._do_layout()
101
102	def __setattr__(self, name, value):
103	"""
104	Allow direct hooks to text boxes
105	"""
106	if name == 'nfunc':
107	self.nfunc_ctl.SetValue(str(int(value)))
108	elif name == 'd_max':
109	self.dmax_ctl.SetValue(str(value))
110	elif name == 'alpha':
111	self.alpha_ctl.SetValue(str(value))
112	elif name == 'chi2':
113	self.chi2_ctl.SetValue("%-5.2g" % value)
114	elif name == 'bck':
115	self.bck_ctl.SetValue("%-5.2g" % value)
116	elif name == 'q_min':
117	self.qmin_ctl.SetValue("%-5.2g" % value)
118	elif name == 'q_max':
119	self.qmax_ctl.SetValue("%-5.2g" % value)
120	elif name == 'elapsed':
121	self.time_ctl.SetValue("%-5.2g" % value)
122	elif name == 'rg':
123	self.rg_ctl.SetValue("%-5.2g" % value)
124	elif name == 'iq0':
125	self.iq0_ctl.SetValue("%-5.2g" % value)
126	elif name == 'oscillation':
127	self.osc_ctl.SetValue("%-5.2g" % value)
128	elif name == 'slit_width':
129	self.swidth_ctl.SetValue("%-5.2g" % value)
130	elif name == 'slit_height':
131	self.sheight_ctl.SetValue("%-5.2g" % value)
132	elif name == 'positive':
133	self.pos_ctl.SetValue("%-5.2g" % value)
134	elif name == 'pos_err':
135	self.pos_err_ctl.SetValue("%-5.2g" % value)
136	elif name == 'alpha_estimate':
137	self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
138	self.alpha_estimate_ctl.Enable(True)
139	self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
140	#self.alpha_estimate_ctl.Show()
141	#self.label_sugg.Show()
142	elif name == 'nterms_estimate':
143	self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
144	self.nterms_estimate_ctl.Enable(True)
145	self.nterms_estimate_ctl.SetLabel("%-g" % value)
146	elif name == 'plotname':
147	self.plot_data.SetValue(str(value))
148	self._on_pars_changed(None)
149	elif name == 'datafile':
150	self.plot_data.SetValue(str(value))
151	self._on_pars_changed(None)
152	else:
153	wx.Panel.__setattr__(self, name, value)
154
155	def __getattr__(self, name):
156	"""
157	Allow direct hooks to text boxes
158	"""
159	if name == 'nfunc':
160	try:
161	return int(self.nfunc_ctl.GetValue())
162	except:
163	return -1
164	elif name == 'd_max':
165	try:
166	return self.dmax_ctl.GetValue()
167	except:
168	return -1.0
169	elif name == 'alpha':
170	try:
171	return self.alpha_ctl.GetValue()
172	except:
173	return -1.0
174	elif name == 'chi2':
175	try:
176	return float(self.chi2_ctl.GetValue())
177	except:
178	return None
179	elif name == 'bck':
180	try:
181	return float(self.bck_ctl.GetValue())
182	except:
183	return None
184	elif name == 'q_min':
185	try:
186	return float(self.qmin_ctl.GetValue())
187	except:
188	return 0.0
189	elif name == 'q_max':
190	try:
191	return float(self.qmax_ctl.GetValue())
192	except:
193	return 0.0
194	elif name == 'elapsed':
195	try:
196	return float(self.time_ctl.GetValue())
197	except:
198	return None
199	elif name == 'rg':
200	try:
201	return float(self.rg_ctl.GetValue())
202	except:
203	return None
204	elif name == 'iq0':
205	try:
206	return float(self.iq0_ctl.GetValue())
207	except:
208	return None
209	elif name == 'oscillation':
210	try:
211	return float(self.osc_ctl.GetValue())
212	except:
213	return None
214	elif name == 'slit_width':
215	try:
216	return float(self.swidth_ctl.GetValue())
217	except:
218	return None
219	elif name == 'slit_height':
220	try:
221	return float(self.sheight_ctl.GetValue())
222	except:
223	return None
224	elif name == 'pos':
225	try:
226	return float(self.pos_ctl.GetValue())
227	except:
228	return None
229	elif name == 'pos_err':
230	try:
231	return float(self.pos_err_ctl.GetValue())
232	except:
233	return None
234	elif name == 'alpha_estimate':
235	try:
236	return float(self.alpha_estimate_ctl.GetLabel())
237	except:
238	return None
239	elif name == 'nterms_estimate':
240	try:
241	return int(self.nterms_estimate_ctl.GetLabel())
242	except:
243	return None
244	elif name == 'plotname':
245	return self.plot_data.GetValue()
246	elif name == 'datafile':
247	return self.plot_data.GetValue()
248	else:
249	return wx.Panel.__getattribute__(self, name)
250
251	def save_project(self, doc=None):
252	"""
253	return an xml node containing state of the panel
254	that guiframe can write to file
255	"""
256	data = self.get_data()
257	state = self.get_state()
258	if data is not None:
259	new_doc = self._manager.state_reader.write_toXML(data, state)
260	if new_doc is not None:
261	if doc is not None and hasattr(doc, "firstChild"):
262	child = new_doc.getElementsByTagName("SASentry")
263	for item in child:
264	doc.firstChild.appendChild(item)
265	else:
266	doc = new_doc
267	return doc
268
269	def on_save(self, evt=None):
270	"""
271	Method used to create a memento of the current state
272
273	:return: state object
274	"""
275	# Ask the user the location of the file to write to.
276	path = None
277	if self.parent is not None:
278	self._default_save_location = self.parent._default_save_location
279	dlg = wx.FileDialog(self, "Choose a file",
280	self._default_save_location,
281	self.window_caption, "*.prv", wx.SAVE)
282	if dlg.ShowModal() == wx.ID_OK:
283	path = dlg.GetPath()
284	self._default_save_location = os.path.dirname(path)
285	if self.parent is not None:
286	self.parent._default_save_location = self._default_save_location
287	else:
288	return None
289
290	dlg.Destroy()
291
292	state = self.get_state()
293
294	# MAC always needs the extension for saving
295	extens = ".prv"
296	# Make sure the ext included in the file name
297	fName = os.path.splitext(path)[0] + extens
298	self._manager.save_data(filepath=fName, prstate=state)
299
300	return state
301
302	def get_data(self):
303	"""
304	"""
305	return self._manager.get_data()
306
307	def get_state(self):
308	"""
309	Get the current state
310
311	: return: state object
312	"""
313	# Construct the state object
314	state = InversionState()
315
316	# Read the panel's parameters
317	flag, alpha, dmax, nfunc, qmin, \
318	qmax, height, width = self._read_pars()
319
320	state.nfunc = nfunc
321	state.d_max = dmax
322	state.alpha = alpha
323	state.qmin = qmin
324	state.qmax = qmax
325	state.width = width
326	state.height = height
327
328	# Data file
329	state.file = self.plot_data.GetValue()
330
331	# Background evaluation checkbox
332	state.estimate_bck = self.bck_est_ctl.GetValue()
333
334	# Estimates
335	state.nterms_estimate = self.nterms_estimate
336	state.alpha_estimate = self.alpha_estimate
337
338	# Read the output values
339	state.chi2 = self.chi2
340	state.elapsed = self.elapsed
341	state.osc = self.oscillation
342	state.pos = self.pos
343	state.pos_err = self.pos_err
344	state.rg = self.rg
345	state.iq0 = self.iq0
346	state.bck = self.bck
347
348	return state
349
350	def set_state(self, state):
351	"""
352	Set the state of the panel and inversion problem to
353	the state passed as a parameter.
354	Execute the inversion immediately after filling the
355	controls.
356
357	:param state: InversionState object
358	"""
359	if state.nfunc is not None:
360	self.nfunc = state.nfunc
361	if state.d_max is not None:
362	self.d_max = state.d_max
363	if state.alpha is not None:
364	self.alpha = state.alpha
365	if state.qmin is not None:
366	self.q_min = state.qmin
367	if state.qmax is not None:
368	self.q_max = state.qmax
369	if state.width is not None:
370	self.slit_width = state.width
371	if state.height is not None:
372	self.slit_height = state.height
373
374	# Data file
375	self.plot_data.SetValue(str(state.file))
376
377	# Background evaluation checkbox
378	self.bck_man_ctl.SetValue(state.estimate_bck)
379
380	# Estimates
381	if state.nterms_estimate is not None:
382	self.nterms_estimate = state.nterms_estimate
383	if state.alpha_estimate is not None:
384	self.alpha_estimate = state.alpha_estimate
385
386
387	# Read the output values
388	if state.chi2 is not None:
389	self.chi2 = state.chi2
390	if state.elapsed is not None:
391	self.elapsed = state.elapsed
392	if state.osc is not None:
393	self.oscillation = state.osc
394	if state.pos is not None:
395	self.positive = state.pos
396	if state.pos_err is not None:
397	self.pos_err = state.pos_err
398	if state.rg is not None:
399	self.rg = state.rg
400	if state.iq0 is not None:
401	self.iq0 = state.iq0
402	if state.bck is not None:
403	self.bck = state.bck
404
405	# We have the data available for serialization
406	self._set_analysis(True)
407
408	# Perform inversion
409	self._on_invert(None)
410
411	def set_manager(self, manager):
412	self._manager = manager
413	if manager is not None:
414	self._set_analysis(False)
415
416	def _do_layout(self):
417	vbox = wx.GridBagSizer(0, 0)
418	iy_vb = 0
419
420	# ----- I(q) data -----
421	databox = wx.StaticBox(self, -1, "I(q) data source")
422
423	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
424	boxsizer1.SetMinSize((self._default_width, 50))
425	pars_sizer = wx.GridBagSizer(5, 5)
426
427	iy = 0
428	self.file_radio = wx.StaticText(self, -1, "Name:")
429	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
430	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
431
432	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
433
434	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
435	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
436
437	radio_sizer = wx.GridBagSizer(5, 5)
438
439	self.bck_est_ctl = wx.RadioButton(self, -1, "Estimate background level",
440	name="estimate_bck", style=wx.RB_GROUP)
441	self.bck_man_ctl = wx.RadioButton(self, -1, "Input manual background level",
442	name="manual_bck")
443
444	self.bck_est_ctl.Bind(wx.EVT_RADIOBUTTON, self._on_bck_changed)
445	self.bck_man_ctl.Bind(wx.EVT_RADIOBUTTON, self._on_bck_changed)
446
447	radio_sizer.Add(self.bck_est_ctl, (0,0), (1,1), wx.LEFT \| wx.EXPAND)
448	radio_sizer.Add(self.bck_man_ctl, (0,1), (1,1), wx.RIGHT \| wx.EXPAND)
449
450	iy += 1
451	pars_sizer.Add(radio_sizer, (iy, 0), (1, 2),
452	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
453
454	background_label = wx.StaticText(self, -1, "Background: ")
455	self.bck_input = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER,
456	size=(60, 20), value="0.0")
457	self.bck_input.Disable()
458	background_units = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
459	iy += 1
460
461	background_sizer = wx.GridBagSizer(5, 5)
462
463	background_sizer.Add(background_label, (0, 0), (1,1),
464	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 23)
465	background_sizer.Add(self.bck_input, (0, 1), (1,1),
466	wx.LEFT \| wx.ADJUST_MINSIZE, 5)
467	background_sizer.Add(background_units, (0, 2), (1,1),
468	wx.LEFT \| wx.ADJUST_MINSIZE, 5)
469	pars_sizer.Add(background_sizer, (iy, 0), (1, 2),
470	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
471
472	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
473	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
474	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
475
476	# ----- Add slit parameters -----
477	if True:
478	sbox = wx.StaticBox(self, -1, "Slit parameters")
479	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
480	sboxsizer.SetMinSize((self._default_width, 20))
481
482	sizer_slit = wx.GridBagSizer(5, 5)
483
484	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
485	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
486	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
487	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
488	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
489	hint_msg = "Enter slit height in units of Q or leave blank."
490	self.sheight_ctl.SetToolTipString(hint_msg)
491	hint_msg = "Enter slit width in units of Q or leave blank."
492	self.swidth_ctl.SetToolTipString(hint_msg)
493
494	iy = 0
495	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
496	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
497	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
498	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
499	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
500
501	sboxsizer.Add(sizer_slit, wx.TOP, 15)
502	iy_vb += 1
503	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
504	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
505
506	# ----- Q range -----
507	qbox = wx.StaticBox(self, -1, "Q range")
508	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
509	qboxsizer.SetMinSize((self._default_width, 20))
510
511	sizer_q = wx.GridBagSizer(5, 5)
512
513	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
514	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
515	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
516	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
517	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
518	hint_msg = "Select a lower bound for Q or leave blank."
519	self.qmin_ctl.SetToolTipString(hint_msg)
520	hint_msg = "Select an upper bound for Q or leave blank."
521	self.qmax_ctl.SetToolTipString(hint_msg)
522	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
523	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
524
525	iy = 0
526	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
527	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
528	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
529	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
530	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
531	qboxsizer.Add(sizer_q, wx.TOP, 15)
532
533	iy_vb += 1
534	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
535	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
536
537	# ----- Parameters -----
538	parsbox = wx.StaticBox(self, -1, "Parameters")
539	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
540	boxsizer2.SetMinSize((self._default_width, 50))
541
542	explanation = "P(r) is found by fitting a set of base functions"
543	explanation += " to I(Q). The minimization involves"
544	explanation += " a regularization term to ensure a smooth P(r)."
545	explanation += " The regularization constant gives the size of that "
546	explanation += "term. The suggested value is the value above which the"
547	explanation += " output P(r) will have only one peak."
548	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
549	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
550
551	label_nfunc = wx.StaticText(self, -1, "Number of terms")
552	label_nfunc.SetMinSize((120, 20))
553	label_alpha = wx.StaticText(self, -1, "Regularization constant")
554	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
555	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
556
557	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
558	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
559	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
560	hint_msg = "Control parameter for the size of the regularization term."
561	self.alpha_ctl.SetToolTipString(hint_msg)
562	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
563	hint_msg = "Maximum distance between any two points in the system."
564	self.dmax_ctl.SetToolTipString(hint_msg)
565	wx_id = wx.NewId()
566	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
567	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
568	self.alpha_estimate_ctl.Enable(False)
569	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
570
571	wx_id = wx.NewId()
572	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
573	#self.nterms_estimate_ctl.Hide()
574	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
575	self.nterms_estimate_ctl.Enable(False)
576
577	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
578
579	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
580	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
581	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
582
583	# Distance explorator
584	wx_id = wx.NewId()
585	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
586	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
587
588
589	sizer_params = wx.GridBagSizer(5, 5)
590
591	iy = 0
592	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
593	iy += 1
594	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
595	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
596	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
597	iy += 1
598	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
599	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
600	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
601	iy += 1
602	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
603	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
604	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
605	(1, 1), wx.LEFT, 15)
606
607	boxsizer2.Add(sizer_params, 0)
608
609	iy_vb += 1
610	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
611	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
612
613
614	# ----- Results -----
615	resbox = wx.StaticBox(self, -1, "Outputs")
616	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
617	ressizer.SetMinSize((self._default_width, 50))
618
619	label_rg = wx.StaticText(self, -1, "Rg")
620	label_rg_unit = wx.StaticText(self, -1, "[A]")
621	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
622	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
623	label_bck = wx.StaticText(self, -1, "Background")
624	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
625	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
626	hint_msg = "Radius of gyration for the computed P(r)."
627	self.rg_ctl.SetToolTipString(hint_msg)
628	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
629	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
630	self.iq0_ctl.SetToolTipString(hint_msg)
631	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
632	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
633
634	label_time = wx.StaticText(self, -1, "Computation time")
635	label_time_unit = wx.StaticText(self, -1, "secs")
636	label_time.SetMinSize((120, 20))
637	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
638	label_osc = wx.StaticText(self, -1, "Oscillations")
639	label_pos = wx.StaticText(self, -1, "Positive fraction")
640	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
641
642	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
643	hint_msg = "Computation time for the last inversion, in seconds."
644	self.time_ctl.SetToolTipString(hint_msg)
645
646	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
647	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
648
649	# Oscillation parameter
650	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
651	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
652	hint_msg += " oscillation parameter of 1.1."
653	self.osc_ctl.SetToolTipString(hint_msg)
654
655	# Positive fraction figure of merit
656	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
657	hint_msg = "Fraction of P(r) that is positive. "
658	hint_msg += "Theoretically, P(r) is defined positive."
659	self.pos_ctl.SetToolTipString(hint_msg)
660
661	# 1-simga positive fraction figure of merit
662	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
663	message = "Fraction of P(r) that is at least 1 standard deviation"
664	message += " greater than zero.\n"
665	message += "This figure of merit tells you about the size of the "
666	message += "P(r) errors.\n"
667	message += "If it is close to 1 and the other figures of merit are bad,"
668	message += " consider changing the maximum distance."
669	self.pos_err_ctl.SetToolTipString(message)
670
671	sizer_res = wx.GridBagSizer(5, 5)
672
673	iy = 0
674	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
675	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
676	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
677	iy += 1
678	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
679	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
680	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
681	iy += 1
682	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
683	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
684	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
685	iy += 1
686	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
687	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
688	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
689	iy += 1
690	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
691	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
692	iy += 1
693	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
694	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
695
696	iy += 1
697	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
698	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
699
700	iy += 1
701	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
702	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
703
704	ressizer.Add(sizer_res, 0)
705	iy_vb += 1
706	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
707	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
708
709	# ----- Buttons -----
710	wx_id = wx.NewId()
711	button_ok = wx.Button(self, wx_id, "Compute")
712	button_ok.SetToolTipString("Perform P(r) inversion.")
713	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
714
715	self.button_help = wx.Button(self, -1, "HELP")
716	self.button_help.SetToolTipString("Get help on P(r) inversion.")
717	self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
718
719	self._set_reset_flag(True)
720	self._set_save_flag(True)
721	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
722	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
723	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
724	sizer_button.Add(self.button_help, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
725
726	iy_vb += 1
727	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
728	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
729
730	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
731
732	self.SetSizer(vbox)
733
734	def _on_accept_alpha(self, evt):
735	"""
736	User has accepted the estimated alpha,
737	set it as part of the input parameters
738	"""
739	try:
740	alpha = self.alpha_estimate_ctl.GetLabel()
741	# Check that we have a number
742	float(alpha)
743	self.alpha_ctl.SetValue(alpha)
744	except ValueError:
745	logger.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
746	except:
747	# No estimate or bad estimate, either do nothing
748	logger.error("InversionControl._on_accept_alpha: %s" % sys.exc_value)
749
750	def _on_accept_nterms(self, evt):
751	"""
752	User has accepted the estimated number of terms,
753	set it as part of the input parameters
754	"""
755	try:
756	nterms = self.nterms_estimate_ctl.GetLabel()
757	# Check that we have a number
758	float(nterms)
759	self.nfunc_ctl.SetValue(nterms)
760	except ValueError:
761	logger.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
762	except:
763	# No estimate or bad estimate, either do nothing
764	logger.error("InversionControl._on_accept_nterms: %s" % sys.exc_value)
765
766	def clear_panel(self):
767	"""
768	"""
769	self.plot_data.SetValue("")
770	self.on_reset(event=None)
771
772	def on_reset(self, event=None):
773	"""
774	Resets inversion parameters
775	"""
776	self.nfunc = self._manager.DEFAULT_NFUNC
777	self.d_max = self._manager.DEFAULT_DMAX
778	self.alpha = self._manager.DEFAULT_ALPHA
779	self.qmin_ctl.SetValue("")
780	self.qmax_ctl.SetValue("")
781	self.time_ctl.SetValue("")
782	self.rg_ctl.SetValue("")
783	self.iq0_ctl.SetValue("")
784	self.bck_ctl.SetValue("")
785	self.chi2_ctl.SetValue("")
786	self.osc_ctl.SetValue("")
787	self.pos_ctl.SetValue("")
788	self.pos_err_ctl.SetValue("")
789	self.alpha_estimate_ctl.Enable(False)
790	self.alpha_estimate_ctl.SetLabel("")
791	self.nterms_estimate_ctl.Enable(False)
792	self.nterms_estimate_ctl.SetLabel("")
793	self._set_analysis(False)
794
795	self._on_pars_changed()
796
797	def _on_bck_changed(self, evt=None):
798	self.has_bck = self.bck_est_ctl.GetValue()
799	if self.has_bck:
800	self.bck_input.Disable()
801	else:
802	self.bck_input.Enable()
803
804	def _on_pars_changed(self, evt=None):
805	"""
806	Called when an input parameter has changed
807	We will estimate the alpha parameter behind the
808	scenes.
809	"""
810	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
811
812	# If the pars are valid, estimate alpha
813	if flag:
814	self.nterms_estimate_ctl.Enable(False)
815	self.alpha_estimate_ctl.Enable(False)
816
817	dataset = self.plot_data.GetValue()
818	if dataset is not None and dataset.strip() != "":
819	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
820	d_max=dmax,
821	q_min=qmin, q_max=qmax,
822	bck=self.has_bck,
823	height=height,
824	width=width)
825
826	def _read_pars(self, evt=None):
827	"""
828	"""
829	alpha = 0
830	nfunc = 5
831	dmax = 120
832	qmin = 0
833	qmax = 0
834	height = 0
835	width = 0
836	flag = True
837	# Read slit height
838	try:
839	height_str = self.sheight_ctl.GetValue()
840	if len(height_str.lstrip().rstrip()) == 0:
841	height = 0
842	else:
843	height = float(height_str)
844	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
845	self.sheight_ctl.Refresh()
846	except:
847	flag = False
848	self.sheight_ctl.SetBackgroundColour("pink")
849	self.sheight_ctl.Refresh()
850
851	# Read slit width
852	try:
853	width_str = self.swidth_ctl.GetValue()
854	if len(width_str.lstrip().rstrip()) == 0:
855	width = 0
856	else:
857	width = float(width_str)
858	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
859	self.swidth_ctl.Refresh()
860	except:
861	flag = False
862	self.swidth_ctl.SetBackgroundColour("pink")
863	self.swidth_ctl.Refresh()
864
865	# Read alpha
866	try:
867	alpha = float(self.alpha_ctl.GetValue())
868	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
869	self.alpha_ctl.Refresh()
870	except:
871	flag = False
872	self.alpha_ctl.SetBackgroundColour("pink")
873	self.alpha_ctl.Refresh()
874
875	# Read d_max
876	try:
877	dmax = float(self.dmax_ctl.GetValue())
878	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
879	self.dmax_ctl.Refresh()
880	except:
881	flag = False
882	self.dmax_ctl.SetBackgroundColour("pink")
883	self.dmax_ctl.Refresh()
884
885	# Read nfunc
886	try:
887	nfunc = int(self.nfunc_ctl.GetValue())
888	npts = self._manager.get_npts()
889	if npts > 0 and nfunc > npts:
890	message = "Number of function terms should be smaller "
891	message += "than the number of points"
892	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
893	raise ValueError, message
894	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
895	self.nfunc_ctl.Refresh()
896	except:
897	flag = False
898	self.nfunc_ctl.SetBackgroundColour("pink")
899	self.nfunc_ctl.Refresh()
900
901	# Read qmin
902	try:
903	qmin_str = self.qmin_ctl.GetValue()
904	if len(qmin_str.lstrip().rstrip()) == 0:
905	qmin = None
906	else:
907	qmin = float(qmin_str)
908	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
909	self.qmin_ctl.Refresh()
910	except:
911	flag = False
912	self.qmin_ctl.SetBackgroundColour("pink")
913	self.qmin_ctl.Refresh()
914
915	# Read qmax
916	try:
917	qmax_str = self.qmax_ctl.GetValue()
918	if len(qmax_str.lstrip().rstrip()) == 0:
919	qmax = None
920	else:
921	qmax = float(qmax_str)
922	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
923	self.qmax_ctl.Refresh()
924	except:
925	flag = False
926	self.qmax_ctl.SetBackgroundColour("pink")
927	self.qmax_ctl.Refresh()
928
929	return flag, alpha, dmax, nfunc, qmin, qmax, height, width
930
931	def _on_explore(self, evt):
932	"""
933	Invoke the d_max exploration dialog
934	"""
935	from explore_dialog import ExploreDialog
936	if self._manager._last_pr is not None:
937	pr = self._manager._create_plot_pr()
938	dialog = ExploreDialog(pr, 10, None, -1, "")
939	dialog.Show()
940	else:
941	message = "No data to analyze. Please load a data set to proceed."
942	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
943
944	def _on_invert(self, evt):
945	"""
946	Perform inversion
947
948	:param silent: when True, there will be no output for the user
949
950	"""
951	# Get the data from the form
952	# Push it to the manager
953
954	flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
955
956	if flag:
957	dataset = self.plot_data.GetValue()
958	if dataset is None or len(dataset.strip()) == 0:
959	message = "No data to invert. Select a data set before"
960	message += " proceeding with P(r) inversion."
961	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
962	else:
963	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
964	d_max=dmax,
965	q_min=qmin, q_max=qmax,
966	bck=self.has_bck,
967	height=height,
968	width=width)
969	else:
970	message = "The P(r) form contains invalid values: "
971	message += "please submit it again."
972	wx.PostEvent(self.parent, StatusEvent(status=message))
973
974	def _change_file(self, evt=None, filepath=None, data=None):
975	"""
976	Choose a new input file for I(q)
977	"""
978	if self._manager is not None:
979	self.plot_data.SetValue(str(data.name))
980	try:
981	self._manager.show_data(data=data, reset=True)
982	self._on_pars_changed(None)
983	self._on_invert(None)
984	self._set_analysis(True)
985	except:
986	msg = "InversionControl._change_file: %s" % sys.exc_value
987	logger.error(msg)
988
989	def on_help(self, event):
990	"""
991	Bring up the P(r) Documentation whenever
992	the HELP button is clicked.
993
994	Calls DocumentationWindow with the path of the location within the
995	documentation tree (after /doc/ ....". Note that when using old
996	versions of Wx (before 2.9) and thus not the release version of
997	installers, the help comes up at the top level of the file as
998	webbrowser does not pass anything past the # to the browser when it is
999	running "file:///...."
1000
1001	:param evt: Triggers on clicking the help button
1002	"""
1003
1004	_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
1005	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
1006	"P(r) Help")
1007
1008
1009	class PrDistDialog(wx.Dialog):
1010	"""
1011	Property dialog to let the user change the number
1012	of points on the P(r) plot.
1013	"""
1014	def __init__(self, parent, id):
1015	from sas.sascalc.pr.invertor import help
1016	wx.Dialog.__init__(self, parent, id, size=(250, 120))
1017	self.SetTitle("P(r) distribution")
1018
1019
1020	vbox = wx.BoxSizer(wx.VERTICAL)
1021
1022	label_npts = wx.StaticText(self, -1, "Number of points")
1023	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
1024
1025	pars_sizer = wx.GridBagSizer(5, 5)
1026	iy = 0
1027	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
1028	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
1029
1030	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
1031
1032	static_line = wx.StaticLine(self, -1)
1033	vbox.Add(static_line, 0, wx.EXPAND, 0)
1034
1035	button_ok = wx.Button(self, wx.ID_OK, "OK")
1036	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
1037	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
1038
1039	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
1040	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
1041	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1042	sizer_button.Add(button_cancel, 0,
1043	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1044	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
1045
1046	self.SetSizer(vbox)
1047	self.SetAutoLayout(True)
1048
1049	self.Layout()
1050	self.Centre()
1051
1052	def _checkValues(self, event):
1053	"""
1054	Check the dialog content.
1055	"""
1056	flag = True
1057	try:
1058	int(self.npts_ctl.GetValue())
1059	self.npts_ctl.SetBackgroundColour(wx.WHITE)
1060	self.npts_ctl.Refresh()
1061	except:
1062	flag = False
1063	self.npts_ctl.SetBackgroundColour("pink")
1064	self.npts_ctl.Refresh()
1065	if flag:
1066	event.Skip(True)
1067
1068	def get_content(self):
1069	"""
1070	Return the content of the dialog.
1071	At this point the values have already been
1072	checked.
1073	"""
1074	value = int(self.npts_ctl.GetValue())
1075	return value
1076
1077	def set_content(self, npts):
1078	"""
1079	Initialize the content of the dialog.
1080	"""
1081	self.npts_ctl.SetValue("%i" % npts)

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source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ 5c3c310

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