inversion_panel.py @ aed0532

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 aed0532 was fa81e94, checked in by Piotr Rozyczko <rozyczko@…>, 7 years ago
Initial commit of the P(r) inversion perspective. Code merged from Jeff Krzywon's ESS_GUI_Pr branch. Also, minor 2to3 mods to sascalc/sasgui to enble error free setup.
Property mode set to `100755`
File size: 40.4 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.est_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, bck = 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.est_bck
333	state.bck_value = bck
334
335	# Estimates
336	state.nterms_estimate = self.nterms_estimate
337	state.alpha_estimate = self.alpha_estimate
338
339	# Read the output values
340	state.chi2 = self.chi2
341	state.elapsed = self.elapsed
342	state.osc = self.oscillation
343	state.pos = self.pos
344	state.pos_err = self.pos_err
345	state.rg = self.rg
346	state.iq0 = self.iq0
347	state.bck = self.bck
348
349	return state
350
351	def set_state(self, state):
352	"""
353	Set the state of the panel and inversion problem to
354	the state passed as a parameter.
355	Execute the inversion immediately after filling the
356	controls.
357
358	:param state: InversionState object
359	"""
360	if state.nfunc is not None:
361	self.nfunc = state.nfunc
362	if state.d_max is not None:
363	self.d_max = state.d_max
364	if state.alpha is not None:
365	self.alpha = state.alpha
366	if state.qmin is not None:
367	self.q_min = state.qmin
368	if state.qmax is not None:
369	self.q_max = state.qmax
370	if state.width is not None:
371	self.slit_width = state.width
372	if state.height is not None:
373	self.slit_height = state.height
374
375	# Data file
376	self.plot_data.SetValue(str(state.file))
377
378	# Background value
379	self.bck_est_ctl.SetValue(state.estimate_bck)
380	self.bck_man_ctl.SetValue(not state.estimate_bck)
381	if not state.estimate_bck:
382	self.bck_input.Enable()
383	self.bck_input.SetValue(str(state.bck_value))
384	self.est_bck = state.estimate_bck
385	self.bck_value = state.bck_value
386
387	# Estimates
388	if state.nterms_estimate is not None:
389	self.nterms_estimate = state.nterms_estimate
390	if state.alpha_estimate is not None:
391	self.alpha_estimate = state.alpha_estimate
392
393
394	# Read the output values
395	if state.chi2 is not None:
396	self.chi2 = state.chi2
397	if state.elapsed is not None:
398	self.elapsed = state.elapsed
399	if state.osc is not None:
400	self.oscillation = state.osc
401	if state.pos is not None:
402	self.positive = state.pos
403	if state.pos_err is not None:
404	self.pos_err = state.pos_err
405	if state.rg is not None:
406	self.rg = state.rg
407	if state.iq0 is not None:
408	self.iq0 = state.iq0
409	if state.bck is not None:
410	self.bck = state.bck
411
412	# We have the data available for serialization
413	self._set_analysis(True)
414
415	# Perform inversion
416	self._on_invert(None)
417
418	def set_manager(self, manager):
419	self._manager = manager
420	if manager is not None:
421	self._set_analysis(False)
422
423	def _do_layout(self):
424	vbox = wx.GridBagSizer(0, 0)
425	iy_vb = 0
426
427	# ----- I(q) data -----
428	databox = wx.StaticBox(self, -1, "I(q) data source")
429
430	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
431	boxsizer1.SetMinSize((self._default_width, 50))
432	pars_sizer = wx.GridBagSizer(5, 5)
433
434	iy = 0
435	self.file_radio = wx.StaticText(self, -1, "Name:")
436	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
437	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
438
439	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
440
441	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
442	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
443
444	radio_sizer = wx.GridBagSizer(5, 5)
445
446	self.bck_est_ctl = wx.RadioButton(self, -1, "Estimate background level",
447	name="estimate_bck", style=wx.RB_GROUP)
448	self.bck_man_ctl = wx.RadioButton(self, -1, "Input manual background level",
449	name="manual_bck")
450
451	self.bck_est_ctl.Bind(wx.EVT_RADIOBUTTON, self._on_bck_changed)
452	self.bck_man_ctl.Bind(wx.EVT_RADIOBUTTON, self._on_bck_changed)
453
454	radio_sizer.Add(self.bck_est_ctl, (0,0), (1,1), wx.LEFT \| wx.EXPAND)
455	radio_sizer.Add(self.bck_man_ctl, (0,1), (1,1), wx.RIGHT \| wx.EXPAND)
456
457	iy += 1
458	pars_sizer.Add(radio_sizer, (iy, 0), (1, 2),
459	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
460
461	background_label = wx.StaticText(self, -1, "Background: ")
462	self.bck_input = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER,
463	size=(60, 20), value="0.0")
464	self.bck_input.Disable()
465	self.bck_input.Bind(wx.EVT_TEXT, self._read_pars)
466	background_units = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
467	iy += 1
468
469	background_sizer = wx.GridBagSizer(5, 5)
470
471	background_sizer.Add(background_label, (0, 0), (1,1),
472	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 23)
473	background_sizer.Add(self.bck_input, (0, 1), (1,1),
474	wx.LEFT \| wx.ADJUST_MINSIZE, 5)
475	background_sizer.Add(background_units, (0, 2), (1,1),
476	wx.LEFT \| wx.ADJUST_MINSIZE, 5)
477	pars_sizer.Add(background_sizer, (iy, 0), (1, 2),
478	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
479
480	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
481	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
482	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
483
484	# ----- Add slit parameters -----
485	if True:
486	sbox = wx.StaticBox(self, -1, "Slit parameters")
487	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
488	sboxsizer.SetMinSize((self._default_width, 20))
489
490	sizer_slit = wx.GridBagSizer(5, 5)
491
492	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
493	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
494	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
495	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
496	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
497	hint_msg = "Enter slit height in units of Q or leave blank."
498	self.sheight_ctl.SetToolTipString(hint_msg)
499	hint_msg = "Enter slit width in units of Q or leave blank."
500	self.swidth_ctl.SetToolTipString(hint_msg)
501
502	iy = 0
503	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
504	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
505	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
506	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
507	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
508
509	sboxsizer.Add(sizer_slit, wx.TOP, 15)
510	iy_vb += 1
511	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
512	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
513
514	# ----- Q range -----
515	qbox = wx.StaticBox(self, -1, "Q range")
516	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
517	qboxsizer.SetMinSize((self._default_width, 20))
518
519	sizer_q = wx.GridBagSizer(5, 5)
520
521	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
522	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
523	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
524	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
525	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
526	hint_msg = "Select a lower bound for Q or leave blank."
527	self.qmin_ctl.SetToolTipString(hint_msg)
528	hint_msg = "Select an upper bound for Q or leave blank."
529	self.qmax_ctl.SetToolTipString(hint_msg)
530	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
531	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
532
533	iy = 0
534	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
535	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
536	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
537	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
538	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
539	qboxsizer.Add(sizer_q, wx.TOP, 15)
540
541	iy_vb += 1
542	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
543	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
544
545	# ----- Parameters -----
546	parsbox = wx.StaticBox(self, -1, "Parameters")
547	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
548	boxsizer2.SetMinSize((self._default_width, 50))
549
550	explanation = "P(r) is found by fitting a set of base functions"
551	explanation += " to I(Q). The minimization involves"
552	explanation += " a regularization term to ensure a smooth P(r)."
553	explanation += " The regularization constant gives the size of that "
554	explanation += "term. The suggested value is the value above which the"
555	explanation += " output P(r) will have only one peak."
556	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
557	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
558
559	label_nfunc = wx.StaticText(self, -1, "Number of terms")
560	label_nfunc.SetMinSize((120, 20))
561	label_alpha = wx.StaticText(self, -1, "Regularization constant")
562	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
563	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
564
565	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
566	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
567	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
568	hint_msg = "Control parameter for the size of the regularization term."
569	self.alpha_ctl.SetToolTipString(hint_msg)
570	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
571	hint_msg = "Maximum distance between any two points in the system."
572	self.dmax_ctl.SetToolTipString(hint_msg)
573	wx_id = wx.NewId()
574	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
575	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
576	self.alpha_estimate_ctl.Enable(False)
577	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
578
579	wx_id = wx.NewId()
580	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
581	#self.nterms_estimate_ctl.Hide()
582	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
583	self.nterms_estimate_ctl.Enable(False)
584
585	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
586
587	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
588	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
589	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
590
591	# Distance explorator
592	wx_id = wx.NewId()
593	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
594	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
595
596
597	sizer_params = wx.GridBagSizer(5, 5)
598
599	iy = 0
600	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
601	iy += 1
602	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
603	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
604	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
605	iy += 1
606	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
607	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
608	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
609	iy += 1
610	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
611	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
612	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
613	(1, 1), wx.LEFT, 15)
614
615	boxsizer2.Add(sizer_params, 0)
616
617	iy_vb += 1
618	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
619	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
620
621
622	# ----- Results -----
623	resbox = wx.StaticBox(self, -1, "Outputs")
624	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
625	ressizer.SetMinSize((self._default_width, 50))
626
627	label_rg = wx.StaticText(self, -1, "Rg")
628	label_rg_unit = wx.StaticText(self, -1, "[A]")
629	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
630	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
631	label_bck = wx.StaticText(self, -1, "Background")
632	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
633	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
634	hint_msg = "Radius of gyration for the computed P(r)."
635	self.rg_ctl.SetToolTipString(hint_msg)
636	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
637	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
638	self.iq0_ctl.SetToolTipString(hint_msg)
639	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
640	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
641
642	label_time = wx.StaticText(self, -1, "Computation time")
643	label_time_unit = wx.StaticText(self, -1, "secs")
644	label_time.SetMinSize((120, 20))
645	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
646	label_osc = wx.StaticText(self, -1, "Oscillations")
647	label_pos = wx.StaticText(self, -1, "Positive fraction")
648	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
649
650	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
651	hint_msg = "Computation time for the last inversion, in seconds."
652	self.time_ctl.SetToolTipString(hint_msg)
653
654	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
655	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
656
657	# Oscillation parameter
658	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
659	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
660	hint_msg += " oscillation parameter of 1.1."
661	self.osc_ctl.SetToolTipString(hint_msg)
662
663	# Positive fraction figure of merit
664	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
665	hint_msg = "Fraction of P(r) that is positive. "
666	hint_msg += "Theoretically, P(r) is defined positive."
667	self.pos_ctl.SetToolTipString(hint_msg)
668
669	# 1-simga positive fraction figure of merit
670	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
671	message = "Fraction of P(r) that is at least 1 standard deviation"
672	message += " greater than zero.\n"
673	message += "This figure of merit tells you about the size of the "
674	message += "P(r) errors.\n"
675	message += "If it is close to 1 and the other figures of merit are bad,"
676	message += " consider changing the maximum distance."
677	self.pos_err_ctl.SetToolTipString(message)
678
679	sizer_res = wx.GridBagSizer(5, 5)
680
681	iy = 0
682	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
683	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
684	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
685	iy += 1
686	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
687	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
688	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
689	iy += 1
690	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
691	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
692	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
693	iy += 1
694	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
695	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
696	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
697	iy += 1
698	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
699	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
700	iy += 1
701	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
702	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
703
704	iy += 1
705	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
706	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
707
708	iy += 1
709	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
710	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
711
712	ressizer.Add(sizer_res, 0)
713	iy_vb += 1
714	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
715	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
716
717	# ----- Buttons -----
718	wx_id = wx.NewId()
719	button_ok = wx.Button(self, wx_id, "Compute")
720	button_ok.SetToolTipString("Perform P(r) inversion.")
721	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
722
723	self.button_help = wx.Button(self, -1, "HELP")
724	self.button_help.SetToolTipString("Get help on P(r) inversion.")
725	self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
726
727	self._set_reset_flag(True)
728	self._set_save_flag(True)
729	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
730	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
731	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
732	sizer_button.Add(self.button_help, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
733
734	iy_vb += 1
735	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
736	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
737
738	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
739
740	self.SetSizer(vbox)
741
742	def _on_accept_alpha(self, evt):
743	"""
744	User has accepted the estimated alpha,
745	set it as part of the input parameters
746	"""
747	try:
748	alpha = self.alpha_estimate_ctl.GetLabel()
749	# Check that we have a number
750	float(alpha)
751	self.alpha_ctl.SetValue(alpha)
752	except ValueError:
753	logger.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
754	except:
755	# No estimate or bad estimate, either do nothing
756	logger.error("InversionControl._on_accept_alpha: %s" % sys.exc_info()[1])
757
758	def _on_accept_nterms(self, evt):
759	"""
760	User has accepted the estimated number of terms,
761	set it as part of the input parameters
762	"""
763	try:
764	nterms = self.nterms_estimate_ctl.GetLabel()
765	# Check that we have a number
766	float(nterms)
767	self.nfunc_ctl.SetValue(nterms)
768	except ValueError:
769	logger.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
770	except:
771	# No estimate or bad estimate, either do nothing
772	logger.error("InversionControl._on_accept_nterms: %s" % sys.exc_info()[1])
773
774	def clear_panel(self):
775	"""
776	"""
777	self.plot_data.SetValue("")
778	self.on_reset(event=None)
779
780	def on_reset(self, event=None):
781	"""
782	Resets inversion parameters
783	"""
784	self.nfunc = self._manager.DEFAULT_NFUNC
785	self.d_max = self._manager.DEFAULT_DMAX
786	self.alpha = self._manager.DEFAULT_ALPHA
787	self.qmin_ctl.SetValue("")
788	self.qmax_ctl.SetValue("")
789	self.time_ctl.SetValue("")
790	self.rg_ctl.SetValue("")
791	self.iq0_ctl.SetValue("")
792	self.bck_ctl.SetValue("")
793	self.chi2_ctl.SetValue("")
794	self.osc_ctl.SetValue("")
795	self.pos_ctl.SetValue("")
796	self.pos_err_ctl.SetValue("")
797	self.alpha_estimate_ctl.Enable(False)
798	self.alpha_estimate_ctl.SetLabel("")
799	self.nterms_estimate_ctl.Enable(False)
800	self.nterms_estimate_ctl.SetLabel("")
801	self._set_analysis(False)
802
803	self._on_pars_changed()
804
805	def _on_bck_changed(self, evt=None):
806	self.est_bck = self.bck_est_ctl.GetValue()
807	if self.est_bck:
808	self.bck_input.Disable()
809	else:
810	self.bck_input.Enable()
811
812	def _on_pars_changed(self, evt=None):
813	"""
814	Called when an input parameter has changed
815	We will estimate the alpha parameter behind the
816	scenes.
817	"""
818	flag, alpha, dmax, nfunc, qmin, qmax, height, width, bck = self._read_pars()
819
820	# If the pars are valid, estimate alpha
821	if flag:
822	self.nterms_estimate_ctl.Enable(False)
823	self.alpha_estimate_ctl.Enable(False)
824
825	dataset = self.plot_data.GetValue()
826	if dataset is not None and dataset.strip() != "":
827	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
828	d_max=dmax,
829	q_min=qmin, q_max=qmax,
830	est_bck=self.est_bck,
831	bck_val=bck,
832	height=height,
833	width=width)
834
835	def _read_pars(self, evt=None):
836	"""
837	"""
838	alpha = 0
839	nfunc = 5
840	dmax = 120
841	qmin = 0
842	qmax = 0
843	height = 0
844	width = 0
845	background = 0
846	flag = True
847	# Read slit height
848	try:
849	height_str = self.sheight_ctl.GetValue()
850	if len(height_str.lstrip().rstrip()) == 0:
851	height = 0
852	else:
853	height = float(height_str)
854	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
855	self.sheight_ctl.Refresh()
856	except:
857	flag = False
858	self.sheight_ctl.SetBackgroundColour("pink")
859	self.sheight_ctl.Refresh()
860
861	# Read slit width
862	try:
863	width_str = self.swidth_ctl.GetValue()
864	if len(width_str.lstrip().rstrip()) == 0:
865	width = 0
866	else:
867	width = float(width_str)
868	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
869	self.swidth_ctl.Refresh()
870	except:
871	flag = False
872	self.swidth_ctl.SetBackgroundColour("pink")
873	self.swidth_ctl.Refresh()
874
875	# Read alpha
876	try:
877	alpha = float(self.alpha_ctl.GetValue())
878	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
879	self.alpha_ctl.Refresh()
880	except:
881	flag = False
882	self.alpha_ctl.SetBackgroundColour("pink")
883	self.alpha_ctl.Refresh()
884
885	# Read d_max
886	try:
887	dmax = float(self.dmax_ctl.GetValue())
888	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
889	self.dmax_ctl.Refresh()
890	except:
891	flag = False
892	self.dmax_ctl.SetBackgroundColour("pink")
893	self.dmax_ctl.Refresh()
894
895	# Read nfunc
896	try:
897	nfunc = int(self.nfunc_ctl.GetValue())
898	npts = self._manager.get_npts()
899	if npts > 0 and nfunc > npts:
900	message = "Number of function terms should be smaller "
901	message += "than the number of points"
902	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
903	raise ValueError(message)
904	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
905	self.nfunc_ctl.Refresh()
906	except:
907	flag = False
908	self.nfunc_ctl.SetBackgroundColour("pink")
909	self.nfunc_ctl.Refresh()
910
911	# Read qmin
912	try:
913	qmin_str = self.qmin_ctl.GetValue()
914	if len(qmin_str.lstrip().rstrip()) == 0:
915	qmin = None
916	else:
917	qmin = float(qmin_str)
918	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
919	self.qmin_ctl.Refresh()
920	except:
921	flag = False
922	self.qmin_ctl.SetBackgroundColour("pink")
923	self.qmin_ctl.Refresh()
924
925	# Read qmax
926	try:
927	qmax_str = self.qmax_ctl.GetValue()
928	if len(qmax_str.lstrip().rstrip()) == 0:
929	qmax = None
930	else:
931	qmax = float(qmax_str)
932	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
933	self.qmax_ctl.Refresh()
934	except:
935	flag = False
936	self.qmax_ctl.SetBackgroundColour("pink")
937	self.qmax_ctl.Refresh()
938
939	# Read background
940	if not self.est_bck:
941	try:
942	bck_str = self.bck_input.GetValue()
943	if len(bck_str.strip()) == 0:
944	background = 0.0
945	else:
946	background = float(bck_str)
947	self.bck_input.SetBackgroundColour(wx.WHITE)
948	except ValueError:
949	background = 0.0
950	self.bck_input.SetBackgroundColour("pink")
951	self.bck_input.Refresh()
952
953	return flag, alpha, dmax, nfunc, qmin, qmax, height, width, background
954
955	def _on_explore(self, evt):
956	"""
957	Invoke the d_max exploration dialog
958	"""
959	from .explore_dialog import ExploreDialog
960	if self._manager._last_pr is not None:
961	pr = self._manager._create_plot_pr()
962	dialog = ExploreDialog(pr, 10, None, -1, "")
963	dialog.Show()
964	else:
965	message = "No data to analyze. Please load a data set to proceed."
966	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
967
968	def _on_invert(self, evt):
969	"""
970	Perform inversion
971
972	:param silent: when True, there will be no output for the user
973
974	"""
975	# Get the data from the form
976	# Push it to the manager
977
978	flag, alpha, dmax, nfunc, qmin, qmax, height, width, bck = self._read_pars()
979
980	if flag:
981	dataset = self.plot_data.GetValue()
982	if dataset is None or len(dataset.strip()) == 0:
983	message = "No data to invert. Select a data set before"
984	message += " proceeding with P(r) inversion."
985	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
986	else:
987	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
988	d_max=dmax,
989	q_min=qmin, q_max=qmax,
990	est_bck=self.est_bck,
991	bck_val = bck,
992	height=height,
993	width=width)
994	else:
995	message = "The P(r) form contains invalid values: "
996	message += "please submit it again."
997	wx.PostEvent(self.parent, StatusEvent(status=message))
998
999	def _change_file(self, evt=None, filepath=None, data=None):
1000	"""
1001	Choose a new input file for I(q)
1002	"""
1003	if self._manager is not None:
1004	self.plot_data.SetValue(str(data.name))
1005	try:
1006	self._manager.show_data(data=data, reset=True)
1007	self._on_pars_changed(None)
1008	self._on_invert(None)
1009	self._set_analysis(True)
1010	except:
1011	msg = "InversionControl._change_file: %s" % sys.exc_info()[1]
1012	logger.error(msg)
1013
1014	def on_help(self, event):
1015	"""
1016	Bring up the P(r) Documentation whenever
1017	the HELP button is clicked.
1018
1019	Calls DocumentationWindow with the path of the location within the
1020	documentation tree (after /doc/ ....". Note that when using old
1021	versions of Wx (before 2.9) and thus not the release version of
1022	installers, the help comes up at the top level of the file as
1023	webbrowser does not pass anything past the # to the browser when it is
1024	running "file:///...."
1025
1026	:param evt: Triggers on clicking the help button
1027	"""
1028
1029	_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
1030	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
1031	"P(r) Help")
1032
1033
1034	class PrDistDialog(wx.Dialog):
1035	"""
1036	Property dialog to let the user change the number
1037	of points on the P(r) plot.
1038	"""
1039	def __init__(self, parent, id):
1040	from sas.sascalc.pr.invertor import help
1041	wx.Dialog.__init__(self, parent, id, size=(250, 120))
1042	self.SetTitle("P(r) distribution")
1043
1044
1045	vbox = wx.BoxSizer(wx.VERTICAL)
1046
1047	label_npts = wx.StaticText(self, -1, "Number of points")
1048	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
1049
1050	pars_sizer = wx.GridBagSizer(5, 5)
1051	iy = 0
1052	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
1053	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
1054
1055	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
1056
1057	static_line = wx.StaticLine(self, -1)
1058	vbox.Add(static_line, 0, wx.EXPAND, 0)
1059
1060	button_ok = wx.Button(self, wx.ID_OK, "OK")
1061	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
1062	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
1063
1064	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
1065	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
1066	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1067	sizer_button.Add(button_cancel, 0,
1068	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1069	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
1070
1071	self.SetSizer(vbox)
1072	self.SetAutoLayout(True)
1073
1074	self.Layout()
1075	self.Centre()
1076
1077	def _checkValues(self, event):
1078	"""
1079	Check the dialog content.
1080	"""
1081	flag = True
1082	try:
1083	int(self.npts_ctl.GetValue())
1084	self.npts_ctl.SetBackgroundColour(wx.WHITE)
1085	self.npts_ctl.Refresh()
1086	except:
1087	flag = False
1088	self.npts_ctl.SetBackgroundColour("pink")
1089	self.npts_ctl.Refresh()
1090	if flag:
1091	event.Skip(True)
1092
1093	def get_content(self):
1094	"""
1095	Return the content of the dialog.
1096	At this point the values have already been
1097	checked.
1098	"""
1099	value = int(self.npts_ctl.GetValue())
1100	return value
1101
1102	def set_content(self, npts):
1103	"""
1104	Initialize the content of the dialog.
1105	"""
1106	self.npts_ctl.SetValue("%i" % npts)

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SasView

source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ aed0532

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