inversion_panel.py @ 5251ec6

magnetic_scattrelease-4.2.2ticket-1009ticket-1249

Last change on this file since 5251ec6 was 5251ec6, checked in by Paul Kienzle <pkienzle@…>, 6 years ago
improved support for py37 in sasgui
Property mode set to `100644`
File size: 40.5 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 os
8	import sys
9	import logging
10
11	import wx
12	from wx.lib.scrolledpanel import ScrolledPanel
13
14	from sas.sasgui.guiframe.events import StatusEvent
15	from sas.sasgui.guiframe.panel_base import PanelBase
16	from sas.sasgui.guiframe.documentation_window import DocumentationWindow
17
18	from .inversion_state import InversionState
19	from .pr_widgets import PrTextCtrl
20	from .pr_widgets import DataFileTextCtrl
21	from .pr_widgets import OutputTextCtrl
22
23	logger = logging.getLogger(__name__)
24
25	if sys.platform.count("win32") > 0:
26	FONT_VARIANT = 0
27	else:
28	FONT_VARIANT = 1
29
30	class InversionControl(ScrolledPanel, PanelBase):
31	"""
32	"""
33	window_name = 'pr_control'
34	window_caption = "P(r) control panel"
35	CENTER_PANE = True
36
37	# Figure of merit parameters [default]
38
39	## Oscillation parameters (sin function = 1.1)
40	oscillation_max = 1.5
41
42	def __init__(self, parent, id=-1, plots=None, **kwargs):
43	"""
44	"""
45	ScrolledPanel.__init__(self, parent, id=id, **kwargs)
46	PanelBase.__init__(self, parent)
47	self.SetupScrolling()
48	#Set window's font size
49	self.SetWindowVariant(variant=FONT_VARIANT)
50	self._set_analysis(False)
51
52	self.plots = plots
53	self.radio_buttons = {}
54	self.parent = parent.parent
55
56	## Data file TextCtrl
57	self.data_file = None
58	self.plot_data = None
59	self.nfunc_ctl = None
60	self.alpha_ctl = None
61	self.dmax_ctl = None
62	self.time_ctl = None
63	self.chi2_ctl = None
64	self.osc_ctl = None
65	self.file_radio = None
66	self.plot_radio = None
67	self.label_sugg = None
68	self.qmin_ctl = None
69	self.qmax_ctl = None
70	self.swidth_ctl = None
71	self.sheight_ctl = None
72
73	self.rg_ctl = None
74	self.iq0_ctl = None
75	self.bck_value = None
76	self.bck_est_ctl = None
77	self.bck_man_ctl = None
78	self.est_bck = True
79	self.bck_input = None
80	self.bck_ctl = None
81
82	# TextCtrl for fraction of positive P(r)
83	self.pos_ctl = None
84
85	# TextCtrl for fraction of 1 sigma positive P(r)
86	self.pos_err_ctl = None
87
88	## Estimates
89	self.alpha_estimate_ctl = None
90	self.nterms_estimate_ctl = None
91	## D_max distance explorator
92	self.distance_explorator_ctl = None
93	## Data manager
94	self._manager = None
95	## Default file location for save
96	self._default_save_location = os.getcwd()
97	if self.parent is not None:
98	self._default_save_location = \
99	self.parent._default_save_location
100
101	# Default width
102	self._default_width = 350
103	self._do_layout()
104
105	def __setattr__(self, name, value):
106	"""
107	Allow direct hooks to text boxes
108	"""
109	if name == 'nfunc':
110	self.nfunc_ctl.SetValue(str(int(value)))
111	elif name == 'd_max':
112	self.dmax_ctl.SetValue(str(value))
113	elif name == 'alpha':
114	self.alpha_ctl.SetValue(str(value))
115	elif name == 'chi2':
116	self.chi2_ctl.SetValue("%-5.2g" % value)
117	elif name == 'bck':
118	self.bck_ctl.SetValue("%-5.2g" % value)
119	elif name == 'q_min':
120	self.qmin_ctl.SetValue("%-5.2g" % value)
121	elif name == 'q_max':
122	self.qmax_ctl.SetValue("%-5.2g" % value)
123	elif name == 'elapsed':
124	self.time_ctl.SetValue("%-5.2g" % value)
125	elif name == 'rg':
126	self.rg_ctl.SetValue("%-5.2g" % value)
127	elif name == 'iq0':
128	self.iq0_ctl.SetValue("%-5.2g" % value)
129	elif name == 'oscillation':
130	self.osc_ctl.SetValue("%-5.2g" % value)
131	elif name == 'slit_width':
132	self.swidth_ctl.SetValue("%-5.2g" % value)
133	elif name == 'slit_height':
134	self.sheight_ctl.SetValue("%-5.2g" % value)
135	elif name == 'positive':
136	self.pos_ctl.SetValue("%-5.2g" % value)
137	elif name == 'pos_err':
138	self.pos_err_ctl.SetValue("%-5.2g" % value)
139	elif name == 'alpha_estimate':
140	self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
141	self.alpha_estimate_ctl.Enable(True)
142	self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
143	#self.alpha_estimate_ctl.Show()
144	#self.label_sugg.Show()
145	elif name == 'nterms_estimate':
146	self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
147	self.nterms_estimate_ctl.Enable(True)
148	self.nterms_estimate_ctl.SetLabel("%-g" % value)
149	elif name == 'plotname':
150	self.plot_data.SetValue(str(value))
151	self._on_pars_changed(None)
152	elif name == 'datafile':
153	self.plot_data.SetValue(str(value))
154	self._on_pars_changed(None)
155	else:
156	wx.Panel.__setattr__(self, name, value)
157
158	def __getattr__(self, name):
159	"""
160	Allow direct hooks to text boxes
161	"""
162	if name == 'nfunc':
163	try:
164	return int(self.nfunc_ctl.GetValue())
165	except:
166	return -1
167	elif name == 'd_max':
168	try:
169	return self.dmax_ctl.GetValue()
170	except:
171	return -1.0
172	elif name == 'alpha':
173	try:
174	return self.alpha_ctl.GetValue()
175	except:
176	return -1.0
177	elif name == 'chi2':
178	try:
179	return float(self.chi2_ctl.GetValue())
180	except:
181	return None
182	elif name == 'bck':
183	try:
184	return float(self.bck_ctl.GetValue())
185	except:
186	return None
187	elif name == 'q_min':
188	try:
189	return float(self.qmin_ctl.GetValue())
190	except:
191	return 0.0
192	elif name == 'q_max':
193	try:
194	return float(self.qmax_ctl.GetValue())
195	except:
196	return 0.0
197	elif name == 'elapsed':
198	try:
199	return float(self.time_ctl.GetValue())
200	except:
201	return None
202	elif name == 'rg':
203	try:
204	return float(self.rg_ctl.GetValue())
205	except:
206	return None
207	elif name == 'iq0':
208	try:
209	return float(self.iq0_ctl.GetValue())
210	except:
211	return None
212	elif name == 'oscillation':
213	try:
214	return float(self.osc_ctl.GetValue())
215	except:
216	return None
217	elif name == 'slit_width':
218	try:
219	return float(self.swidth_ctl.GetValue())
220	except:
221	return None
222	elif name == 'slit_height':
223	try:
224	return float(self.sheight_ctl.GetValue())
225	except:
226	return None
227	elif name == 'pos':
228	try:
229	return float(self.pos_ctl.GetValue())
230	except:
231	return None
232	elif name == 'pos_err':
233	try:
234	return float(self.pos_err_ctl.GetValue())
235	except:
236	return None
237	elif name == 'alpha_estimate':
238	try:
239	return float(self.alpha_estimate_ctl.GetLabel())
240	except:
241	return None
242	elif name == 'nterms_estimate':
243	try:
244	return int(self.nterms_estimate_ctl.GetLabel())
245	except:
246	return None
247	elif name == 'plotname':
248	return self.plot_data.GetValue()
249	elif name == 'datafile':
250	return self.plot_data.GetValue()
251	else:
252	return wx.Panel.__getattribute__(self, name)
253
254	def save_project(self, doc=None):
255	"""
256	return an xml node containing state of the panel
257	that guiframe can write to file
258	"""
259	data = self.get_data()
260	state = self.get_state()
261	if data is not None:
262	new_doc = self._manager.state_reader.write_toXML(data, state)
263	if new_doc is not None:
264	if doc is not None and hasattr(doc, "firstChild"):
265	child = new_doc.getElementsByTagName("SASentry")
266	for item in child:
267	doc.firstChild.appendChild(item)
268	else:
269	doc = new_doc
270	return doc
271
272	def on_save(self, evt=None):
273	"""
274	Method used to create a memento of the current state
275
276	:return: state object
277	"""
278	# Ask the user the location of the file to write to.
279	path = None
280	if self.parent is not None:
281	self._default_save_location = self.parent._default_save_location
282	dlg = wx.FileDialog(self, "Choose a file",
283	self._default_save_location,
284	self.window_caption, "*.prv", wx.SAVE)
285	if dlg.ShowModal() == wx.ID_OK:
286	path = dlg.GetPath()
287	self._default_save_location = os.path.dirname(path)
288	if self.parent is not None:
289	self.parent._default_save_location = self._default_save_location
290	else:
291	return None
292
293	dlg.Destroy()
294
295	state = self.get_state()
296
297	# MAC always needs the extension for saving
298	extens = ".prv"
299	# Make sure the ext included in the file name
300	fName = os.path.splitext(path)[0] + extens
301	self._manager.save_data(filepath=fName, prstate=state)
302
303	return state
304
305	def get_data(self):
306	"""
307	"""
308	return self._manager.get_data()
309
310	def get_state(self):
311	"""
312	Get the current state
313
314	: return: state object
315	"""
316	# Construct the state object
317	state = InversionState()
318
319	# Read the panel's parameters
320	flag, alpha, dmax, nfunc, qmin, \
321	qmax, height, width, bck = self._read_pars()
322
323	state.nfunc = nfunc
324	state.d_max = dmax
325	state.alpha = alpha
326	state.qmin = qmin
327	state.qmax = qmax
328	state.width = width
329	state.height = height
330
331	# Data file
332	state.file = self.plot_data.GetValue()
333
334	# Background evaluation checkbox
335	state.estimate_bck = self.est_bck
336	state.bck_value = bck
337
338	# Estimates
339	state.nterms_estimate = self.nterms_estimate
340	state.alpha_estimate = self.alpha_estimate
341
342	# Read the output values
343	state.chi2 = self.chi2
344	state.elapsed = self.elapsed
345	state.osc = self.oscillation
346	state.pos = self.pos
347	state.pos_err = self.pos_err
348	state.rg = self.rg
349	state.iq0 = self.iq0
350	state.bck = self.bck
351
352	return state
353
354	def set_state(self, state):
355	"""
356	Set the state of the panel and inversion problem to
357	the state passed as a parameter.
358	Execute the inversion immediately after filling the
359	controls.
360
361	:param state: InversionState object
362	"""
363	if state.nfunc is not None:
364	self.nfunc = state.nfunc
365	if state.d_max is not None:
366	self.d_max = state.d_max
367	if state.alpha is not None:
368	self.alpha = state.alpha
369	if state.qmin is not None:
370	self.q_min = state.qmin
371	if state.qmax is not None:
372	self.q_max = state.qmax
373	if state.width is not None:
374	self.slit_width = state.width
375	if state.height is not None:
376	self.slit_height = state.height
377
378	# Data file
379	self.plot_data.SetValue(str(state.file))
380
381	# Background value
382	self.bck_est_ctl.SetValue(state.estimate_bck)
383	self.bck_man_ctl.SetValue(not state.estimate_bck)
384	if not state.estimate_bck:
385	self.bck_input.Enable()
386	self.bck_input.SetValue(str(state.bck_value))
387	self.est_bck = state.estimate_bck
388	self.bck_value = state.bck_value
389
390	# Estimates
391	if state.nterms_estimate is not None:
392	self.nterms_estimate = state.nterms_estimate
393	if state.alpha_estimate is not None:
394	self.alpha_estimate = state.alpha_estimate
395
396
397	# Read the output values
398	if state.chi2 is not None:
399	self.chi2 = state.chi2
400	if state.elapsed is not None:
401	self.elapsed = state.elapsed
402	if state.osc is not None:
403	self.oscillation = state.osc
404	if state.pos is not None:
405	self.positive = state.pos
406	if state.pos_err is not None:
407	self.pos_err = state.pos_err
408	if state.rg is not None:
409	self.rg = state.rg
410	if state.iq0 is not None:
411	self.iq0 = state.iq0
412	if state.bck is not None:
413	self.bck = state.bck
414
415	# We have the data available for serialization
416	self._set_analysis(True)
417
418	# Perform inversion
419	self._on_invert(None)
420
421	def set_manager(self, manager):
422	self._manager = manager
423	if manager is not None:
424	self._set_analysis(False)
425
426	def _do_layout(self):
427	vbox = wx.GridBagSizer(0, 0)
428	iy_vb = 0
429
430	# ----- I(q) data -----
431	databox = wx.StaticBox(self, -1, "I(q) data source")
432
433	boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
434	boxsizer1.SetMinSize((self._default_width, 50))
435	pars_sizer = wx.GridBagSizer(5, 5)
436
437	iy = 0
438	self.file_radio = wx.StaticText(self, -1, "Name:")
439	pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
440	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
441
442	self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
443
444	pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
445	wx.EXPAND \| wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 15)
446
447	radio_sizer = wx.GridBagSizer(5, 5)
448
449	self.bck_est_ctl = wx.RadioButton(self, -1, "Estimate background level",
450	name="estimate_bck", style=wx.RB_GROUP)
451	self.bck_man_ctl = wx.RadioButton(self, -1, "Input manual background level",
452	name="manual_bck")
453
454	self.bck_est_ctl.Bind(wx.EVT_RADIOBUTTON, self._on_bck_changed)
455	self.bck_man_ctl.Bind(wx.EVT_RADIOBUTTON, self._on_bck_changed)
456
457	radio_sizer.Add(self.bck_est_ctl, (0,0), (1,1), wx.LEFT \| wx.EXPAND)
458	radio_sizer.Add(self.bck_man_ctl, (0,1), (1,1), wx.RIGHT \| wx.EXPAND)
459
460	iy += 1
461	pars_sizer.Add(radio_sizer, (iy, 0), (1, 2),
462	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
463
464	background_label = wx.StaticText(self, -1, "Background: ")
465	self.bck_input = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER,
466	size=(60, 20), value="0.0")
467	self.bck_input.Disable()
468	self.bck_input.Bind(wx.EVT_TEXT, self._read_pars)
469	background_units = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
470	iy += 1
471
472	background_sizer = wx.GridBagSizer(5, 5)
473
474	background_sizer.Add(background_label, (0, 0), (1,1),
475	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 23)
476	background_sizer.Add(self.bck_input, (0, 1), (1,1),
477	wx.LEFT \| wx.ADJUST_MINSIZE, 5)
478	background_sizer.Add(background_units, (0, 2), (1,1),
479	wx.LEFT \| wx.ADJUST_MINSIZE, 5)
480	pars_sizer.Add(background_sizer, (iy, 0), (1, 2),
481	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
482
483	boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
484	vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
485	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE \| wx.TOP, 5)
486
487	# ----- Add slit parameters -----
488	if True:
489	sbox = wx.StaticBox(self, -1, "Slit parameters")
490	sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
491	sboxsizer.SetMinSize((self._default_width, 20))
492
493	sizer_slit = wx.GridBagSizer(5, 5)
494
495	label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
496	label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
497	label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
498	self.sheight_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
499	self.swidth_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
500	hint_msg = "Enter slit height in units of Q or leave blank."
501	self.sheight_ctl.SetToolTipString(hint_msg)
502	hint_msg = "Enter slit width in units of Q or leave blank."
503	self.swidth_ctl.SetToolTipString(hint_msg)
504
505	iy = 0
506	sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
507	sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
508	sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
509	sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
510	sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
511
512	sboxsizer.Add(sizer_slit, wx.TOP, 15)
513	iy_vb += 1
514	vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
515	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
516
517	# ----- Q range -----
518	qbox = wx.StaticBox(self, -1, "Q range")
519	qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
520	qboxsizer.SetMinSize((self._default_width, 20))
521
522	sizer_q = wx.GridBagSizer(5, 5)
523
524	label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
525	label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
526	label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
527	self.qmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
528	self.qmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
529	hint_msg = "Select a lower bound for Q or leave blank."
530	self.qmin_ctl.SetToolTipString(hint_msg)
531	hint_msg = "Select an upper bound for Q or leave blank."
532	self.qmax_ctl.SetToolTipString(hint_msg)
533	self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
534	self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
535
536	iy = 0
537	sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 5)
538	sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT \| wx.EXPAND, 5)
539	sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT \| wx.EXPAND, 5)
540	sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT \| wx.EXPAND, 5)
541	sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT \| wx.EXPAND, 5)
542	qboxsizer.Add(sizer_q, wx.TOP, 15)
543
544	iy_vb += 1
545	vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
546	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
547
548	# ----- Parameters -----
549	parsbox = wx.StaticBox(self, -1, "Parameters")
550	boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
551	boxsizer2.SetMinSize((self._default_width, 50))
552
553	explanation = "P(r) is found by fitting a set of base functions"
554	explanation += " to I(Q). The minimization involves"
555	explanation += " a regularization term to ensure a smooth P(r)."
556	explanation += " The regularization constant gives the size of that "
557	explanation += "term. The suggested value is the value above which the"
558	explanation += " output P(r) will have only one peak."
559	label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
560	boxsizer2.Add(label_explain, wx.LEFT \| wx.BOTTOM, 5)
561
562	label_nfunc = wx.StaticText(self, -1, "Number of terms")
563	label_nfunc.SetMinSize((120, 20))
564	label_alpha = wx.StaticText(self, -1, "Regularization constant")
565	label_dmax = wx.StaticText(self, -1, "Max distance [A]")
566	self.label_sugg = wx.StaticText(self, -1, "Suggested value")
567
568	self.nfunc_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
569	self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
570	self.alpha_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
571	hint_msg = "Control parameter for the size of the regularization term."
572	self.alpha_ctl.SetToolTipString(hint_msg)
573	self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, size=(60, 20))
574	hint_msg = "Maximum distance between any two points in the system."
575	self.dmax_ctl.SetToolTipString(hint_msg)
576	wx_id = wx.NewId()
577	self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
578	self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
579	self.alpha_estimate_ctl.Enable(False)
580	self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
581
582	wx_id = wx.NewId()
583	self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
584	#self.nterms_estimate_ctl.Hide()
585	self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
586	self.nterms_estimate_ctl.Enable(False)
587
588	self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
589
590	self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
591	self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
592	self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
593
594	# Distance explorator
595	wx_id = wx.NewId()
596	self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
597	self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
598
599
600	sizer_params = wx.GridBagSizer(5, 5)
601
602	iy = 0
603	sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
604	iy += 1
605	sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
606	sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
607	sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
608	iy += 1
609	sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
610	sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
611	sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
612	iy += 1
613	sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
614	sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
615	sizer_params.Add(self.distance_explorator_ctl, (iy, 2),
616	(1, 1), wx.LEFT, 15)
617
618	boxsizer2.Add(sizer_params, 0)
619
620	iy_vb += 1
621	vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
622	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
623
624
625	# ----- Results -----
626	resbox = wx.StaticBox(self, -1, "Outputs")
627	ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
628	ressizer.SetMinSize((self._default_width, 50))
629
630	label_rg = wx.StaticText(self, -1, "Rg")
631	label_rg_unit = wx.StaticText(self, -1, "[A]")
632	label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
633	label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
634	label_bck = wx.StaticText(self, -1, "Background")
635	label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
636	self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
637	hint_msg = "Radius of gyration for the computed P(r)."
638	self.rg_ctl.SetToolTipString(hint_msg)
639	self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
640	hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
641	self.iq0_ctl.SetToolTipString(hint_msg)
642	self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
643	self.bck_ctl.SetToolTipString("Value of estimated constant background.")
644
645	label_time = wx.StaticText(self, -1, "Computation time")
646	label_time_unit = wx.StaticText(self, -1, "secs")
647	label_time.SetMinSize((120, 20))
648	label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
649	label_osc = wx.StaticText(self, -1, "Oscillations")
650	label_pos = wx.StaticText(self, -1, "Positive fraction")
651	label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
652
653	self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
654	hint_msg = "Computation time for the last inversion, in seconds."
655	self.time_ctl.SetToolTipString(hint_msg)
656
657	self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
658	self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
659
660	# Oscillation parameter
661	self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
662	hint_msg = "Oscillation parameter. P(r) for a sphere has an "
663	hint_msg += " oscillation parameter of 1.1."
664	self.osc_ctl.SetToolTipString(hint_msg)
665
666	# Positive fraction figure of merit
667	self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
668	hint_msg = "Fraction of P(r) that is positive. "
669	hint_msg += "Theoretically, P(r) is defined positive."
670	self.pos_ctl.SetToolTipString(hint_msg)
671
672	# 1-simga positive fraction figure of merit
673	self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
674	message = "Fraction of P(r) that is at least 1 standard deviation"
675	message += " greater than zero.\n"
676	message += "This figure of merit tells you about the size of the "
677	message += "P(r) errors.\n"
678	message += "If it is close to 1 and the other figures of merit are bad,"
679	message += " consider changing the maximum distance."
680	self.pos_err_ctl.SetToolTipString(message)
681
682	sizer_res = wx.GridBagSizer(5, 5)
683
684	iy = 0
685	sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
686	sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
687	sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
688	iy += 1
689	sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
690	sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
691	sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
692	iy += 1
693	sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
694	sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
695	sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
696	iy += 1
697	sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
698	sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
699	sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
700	iy += 1
701	sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
702	sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
703	iy += 1
704	sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
705	sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
706
707	iy += 1
708	sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
709	sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
710
711	iy += 1
712	sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT \| wx.EXPAND, 15)
713	sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT \| wx.EXPAND, 15)
714
715	ressizer.Add(sizer_res, 0)
716	iy_vb += 1
717	vbox.Add(ressizer, (iy_vb, 0), (1, 1),
718	wx.LEFT \| wx.RIGHT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 5)
719
720	# ----- Buttons -----
721	wx_id = wx.NewId()
722	button_ok = wx.Button(self, wx_id, "Compute")
723	button_ok.SetToolTipString("Perform P(r) inversion.")
724	self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
725
726	self.button_help = wx.Button(self, -1, "HELP")
727	self.button_help.SetToolTipString("Get help on P(r) inversion.")
728	self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
729
730	self._set_reset_flag(True)
731	self._set_save_flag(True)
732	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
733	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
734	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
735	sizer_button.Add(self.button_help, 0, wx.LEFT \| wx.ADJUST_MINSIZE, 10)
736
737	iy_vb += 1
738	vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
739	wx.EXPAND \| wx.BOTTOM \| wx.TOP \| wx.RIGHT, 10)
740
741	self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
742
743	self.SetSizer(vbox)
744
745	def _on_accept_alpha(self, evt):
746	"""
747	User has accepted the estimated alpha,
748	set it as part of the input parameters
749	"""
750	try:
751	alpha = self.alpha_estimate_ctl.GetLabel()
752	# Check that we have a number
753	float(alpha)
754	self.alpha_ctl.SetValue(alpha)
755	except ValueError:
756	logger.error("InversionControl._on_accept_alpha got a value that was not a number: %s" % alpha )
757	except Exception as exc:
758	# No estimate or bad estimate, either do nothing
759	logger.error("InversionControl._on_accept_alpha: %s" % exc)
760
761	def _on_accept_nterms(self, evt):
762	"""
763	User has accepted the estimated number of terms,
764	set it as part of the input parameters
765	"""
766	try:
767	nterms = self.nterms_estimate_ctl.GetLabel()
768	# Check that we have a number
769	float(nterms)
770	self.nfunc_ctl.SetValue(nterms)
771	except ValueError:
772	logger.error("InversionControl._on_accept_nterms got a value that was not a number: %s" % nterms )
773	except Exception as exc:
774	# No estimate or bad estimate, either do nothing
775	logger.error("InversionControl._on_accept_nterms: %s" % exc)
776
777	def clear_panel(self):
778	"""
779	"""
780	self.plot_data.SetValue("")
781	self.on_reset(event=None)
782
783	def on_reset(self, event=None):
784	"""
785	Resets inversion parameters
786	"""
787	self.nfunc = self._manager.DEFAULT_NFUNC
788	self.d_max = self._manager.DEFAULT_DMAX
789	self.alpha = self._manager.DEFAULT_ALPHA
790	self.qmin_ctl.SetValue("")
791	self.qmax_ctl.SetValue("")
792	self.time_ctl.SetValue("")
793	self.rg_ctl.SetValue("")
794	self.iq0_ctl.SetValue("")
795	self.bck_ctl.SetValue("")
796	self.chi2_ctl.SetValue("")
797	self.osc_ctl.SetValue("")
798	self.pos_ctl.SetValue("")
799	self.pos_err_ctl.SetValue("")
800	self.alpha_estimate_ctl.Enable(False)
801	self.alpha_estimate_ctl.SetLabel("")
802	self.nterms_estimate_ctl.Enable(False)
803	self.nterms_estimate_ctl.SetLabel("")
804	self._set_analysis(False)
805
806	self._on_pars_changed()
807
808	def _on_bck_changed(self, evt=None):
809	self.est_bck = self.bck_est_ctl.GetValue()
810	if self.est_bck:
811	self.bck_input.Disable()
812	else:
813	self.bck_input.Enable()
814
815	def _on_pars_changed(self, evt=None):
816	"""
817	Called when an input parameter has changed
818	We will estimate the alpha parameter behind the
819	scenes.
820	"""
821	flag, alpha, dmax, nfunc, qmin, qmax, height, width, bck = self._read_pars()
822
823	# If the pars are valid, estimate alpha
824	if flag:
825	self.nterms_estimate_ctl.Enable(False)
826	self.alpha_estimate_ctl.Enable(False)
827
828	dataset = self.plot_data.GetValue()
829	if dataset is not None and dataset.strip() != "":
830	self._manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc,
831	d_max=dmax,
832	q_min=qmin, q_max=qmax,
833	est_bck=self.est_bck,
834	bck_val=bck,
835	height=height,
836	width=width)
837
838	def _read_pars(self, evt=None):
839	"""
840	"""
841	alpha = 0
842	nfunc = 5
843	dmax = 120
844	qmin = 0
845	qmax = 0
846	height = 0
847	width = 0
848	background = 0
849	flag = True
850	# Read slit height
851	try:
852	height_str = self.sheight_ctl.GetValue()
853	if len(height_str.lstrip().rstrip()) == 0:
854	height = 0
855	else:
856	height = float(height_str)
857	self.sheight_ctl.SetBackgroundColour(wx.WHITE)
858	self.sheight_ctl.Refresh()
859	except:
860	flag = False
861	self.sheight_ctl.SetBackgroundColour("pink")
862	self.sheight_ctl.Refresh()
863
864	# Read slit width
865	try:
866	width_str = self.swidth_ctl.GetValue()
867	if len(width_str.lstrip().rstrip()) == 0:
868	width = 0
869	else:
870	width = float(width_str)
871	self.swidth_ctl.SetBackgroundColour(wx.WHITE)
872	self.swidth_ctl.Refresh()
873	except:
874	flag = False
875	self.swidth_ctl.SetBackgroundColour("pink")
876	self.swidth_ctl.Refresh()
877
878	# Read alpha
879	try:
880	alpha = float(self.alpha_ctl.GetValue())
881	self.alpha_ctl.SetBackgroundColour(wx.WHITE)
882	self.alpha_ctl.Refresh()
883	except:
884	flag = False
885	self.alpha_ctl.SetBackgroundColour("pink")
886	self.alpha_ctl.Refresh()
887
888	# Read d_max
889	try:
890	dmax = float(self.dmax_ctl.GetValue())
891	self.dmax_ctl.SetBackgroundColour(wx.WHITE)
892	self.dmax_ctl.Refresh()
893	except:
894	flag = False
895	self.dmax_ctl.SetBackgroundColour("pink")
896	self.dmax_ctl.Refresh()
897
898	# Read nfunc
899	try:
900	nfunc = int(self.nfunc_ctl.GetValue())
901	npts = self._manager.get_npts()
902	if npts > 0 and nfunc > npts:
903	message = "Number of function terms should be smaller "
904	message += "than the number of points"
905	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
906	raise ValueError(message)
907	self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
908	self.nfunc_ctl.Refresh()
909	except:
910	flag = False
911	self.nfunc_ctl.SetBackgroundColour("pink")
912	self.nfunc_ctl.Refresh()
913
914	# Read qmin
915	try:
916	qmin_str = self.qmin_ctl.GetValue()
917	if len(qmin_str.lstrip().rstrip()) == 0:
918	qmin = None
919	else:
920	qmin = float(qmin_str)
921	self.qmin_ctl.SetBackgroundColour(wx.WHITE)
922	self.qmin_ctl.Refresh()
923	except:
924	flag = False
925	self.qmin_ctl.SetBackgroundColour("pink")
926	self.qmin_ctl.Refresh()
927
928	# Read qmax
929	try:
930	qmax_str = self.qmax_ctl.GetValue()
931	if len(qmax_str.lstrip().rstrip()) == 0:
932	qmax = None
933	else:
934	qmax = float(qmax_str)
935	self.qmax_ctl.SetBackgroundColour(wx.WHITE)
936	self.qmax_ctl.Refresh()
937	except:
938	flag = False
939	self.qmax_ctl.SetBackgroundColour("pink")
940	self.qmax_ctl.Refresh()
941
942	# Read background
943	if not self.est_bck:
944	try:
945	bck_str = self.bck_input.GetValue()
946	if len(bck_str.strip()) == 0:
947	background = 0.0
948	else:
949	background = float(bck_str)
950	self.bck_input.SetBackgroundColour(wx.WHITE)
951	except ValueError:
952	background = 0.0
953	self.bck_input.SetBackgroundColour("pink")
954	self.bck_input.Refresh()
955
956	return flag, alpha, dmax, nfunc, qmin, qmax, height, width, background
957
958	def _on_explore(self, evt):
959	"""
960	Invoke the d_max exploration dialog
961	"""
962	from .explore_dialog import ExploreDialog
963	if self._manager._last_pr is not None:
964	pr = self._manager._create_plot_pr()
965	dialog = ExploreDialog(pr, 10, None, -1, "")
966	dialog.Show()
967	else:
968	message = "No data to analyze. Please load a data set to proceed."
969	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
970
971	def _on_invert(self, evt):
972	"""
973	Perform inversion
974
975	:param silent: when True, there will be no output for the user
976
977	"""
978	# Get the data from the form
979	# Push it to the manager
980
981	flag, alpha, dmax, nfunc, qmin, qmax, height, width, bck = self._read_pars()
982
983	if flag:
984	dataset = self.plot_data.GetValue()
985	if dataset is None or len(dataset.strip()) == 0:
986	message = "No data to invert. Select a data set before"
987	message += " proceeding with P(r) inversion."
988	wx.PostEvent(self._manager.parent, StatusEvent(status=message))
989	else:
990	self._manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc,
991	d_max=dmax,
992	q_min=qmin, q_max=qmax,
993	est_bck=self.est_bck,
994	bck_val = bck,
995	height=height,
996	width=width)
997	else:
998	message = "The P(r) form contains invalid values: "
999	message += "please submit it again."
1000	wx.PostEvent(self.parent, StatusEvent(status=message))
1001
1002	def _change_file(self, evt=None, filepath=None, data=None):
1003	"""
1004	Choose a new input file for I(q)
1005	"""
1006	if self._manager is not None:
1007	self.plot_data.SetValue(str(data.name))
1008	try:
1009	self._manager.show_data(data=data, reset=True)
1010	self._on_pars_changed(None)
1011	self._on_invert(None)
1012	self._set_analysis(True)
1013	except Exception as exc:
1014	msg = "InversionControl._change_file: %s" % exc
1015	logger.error(msg)
1016
1017	def on_help(self, event):
1018	"""
1019	Bring up the P(r) Documentation whenever
1020	the HELP button is clicked.
1021
1022	Calls DocumentationWindow with the path of the location within the
1023	documentation tree (after /doc/ ....". Note that when using old
1024	versions of Wx (before 2.9) and thus not the release version of
1025	installers, the help comes up at the top level of the file as
1026	webbrowser does not pass anything past the # to the browser when it is
1027	running "file:///...."
1028
1029	:param evt: Triggers on clicking the help button
1030	"""
1031
1032	_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
1033	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
1034	"P(r) Help")
1035
1036
1037	class PrDistDialog(wx.Dialog):
1038	"""
1039	Property dialog to let the user change the number
1040	of points on the P(r) plot.
1041	"""
1042	def __init__(self, parent, id):
1043	from sas.sascalc.pr.invertor import help
1044	wx.Dialog.__init__(self, parent, id, size=(250, 120))
1045	self.SetTitle("P(r) distribution")
1046
1047
1048	vbox = wx.BoxSizer(wx.VERTICAL)
1049
1050	label_npts = wx.StaticText(self, -1, "Number of points")
1051	self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
1052
1053	pars_sizer = wx.GridBagSizer(5, 5)
1054	iy = 0
1055	pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
1056	pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
1057
1058	vbox.Add(pars_sizer, 0, wx.ALL \| wx.EXPAND, 15)
1059
1060	static_line = wx.StaticLine(self, -1)
1061	vbox.Add(static_line, 0, wx.EXPAND, 0)
1062
1063	button_ok = wx.Button(self, wx.ID_OK, "OK")
1064	self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
1065	button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
1066
1067	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
1068	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
1069	sizer_button.Add(button_ok, 0, wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1070	sizer_button.Add(button_cancel, 0,
1071	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
1072	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
1073
1074	self.SetSizer(vbox)
1075	self.SetAutoLayout(True)
1076
1077	self.Layout()
1078	self.Centre()
1079
1080	def _checkValues(self, event):
1081	"""
1082	Check the dialog content.
1083	"""
1084	flag = True
1085	try:
1086	int(self.npts_ctl.GetValue())
1087	self.npts_ctl.SetBackgroundColour(wx.WHITE)
1088	self.npts_ctl.Refresh()
1089	except:
1090	flag = False
1091	self.npts_ctl.SetBackgroundColour("pink")
1092	self.npts_ctl.Refresh()
1093	if flag:
1094	event.Skip(True)
1095
1096	def get_content(self):
1097	"""
1098	Return the content of the dialog.
1099	At this point the values have already been
1100	checked.
1101	"""
1102	value = int(self.npts_ctl.GetValue())
1103	return value
1104
1105	def set_content(self, npts):
1106	"""
1107	Initialize the content of the dialog.
1108	"""
1109	self.npts_ctl.SetValue("%i" % npts)

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SasView

source: sasview/src/sas/sasgui/perspectives/pr/inversion_panel.py @ 5251ec6

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