fitDialog.py @ 8a518285

ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc

Last change on this file since 8a518285 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: 30.6 KB

Line
1	import wx
2	from .plottables import Theory1D
3	import math
4	import numpy as np
5	from . import fittings
6	from . import transform
7	import sys
8
9	# Linear fit panel size
10	if sys.platform.count("win32") > 0:
11	FONT_VARIANT = 0
12	PNL_WIDTH = 450
13	PNL_HEIGHT = 500
14	else:
15	FONT_VARIANT = 1
16	PNL_WIDTH = 500
17	PNL_HEIGHT = 500
18	RG_ON = True
19
20	def format_number(value, high=False):
21	"""
22	Return a float in a standardized, human-readable formatted string.
23	This is used to output readable (e.g. x.xxxe-y) values to the panel.
24	"""
25	try:
26	value = float(value)
27	except:
28	output = "NaN"
29	return output.lstrip().rstrip()
30
31	if high:
32	output = "%-6.4g" % value
33
34	else:
35	output = "%-5.3g" % value
36	return output.lstrip().rstrip()
37
38
39	class LinearFit(wx.Dialog):
40	def __init__(self, parent, plottable, push_data, transform, title):
41	"""
42	Dialog window pops- up when select Linear fit on Context menu
43	Displays fitting parameters. This class handles the linearized
44	fitting and derives and displays specialized output parameters based
45	on the scale choice of the plot calling it.
46
47	:note1: The fitting is currently a bit convoluted as besides using
48	plottools.transform.py to handle all the conversions, it uses
49	LineModel to define a linear model and calculate a number of
50	things like residuals etc as well as the function itself given an x
51	value. It also uses fittings.py to set up the defined LineModel for
52	fitting and then send it to the SciPy NLLSQ method. As these are by
53	definition "linear nodels" it would make more sense to just call
54	a linear solver such as scipy.stats.linregress or bumps.wsolve directly.
55	This would considerably simplify the code and remove the need I think
56	for LineModel.py and possibly fittins.py altogether. -PDB 7/10/16
57
58	:note2: The linearized fits do not take resolution into account. This
59	means that for poor resolution such as slit smearing the answers will
60	be completely wrong --- Rg would be OK but I0 would be orders of
61	magnitude off. Eventually we should fix this to account properly for
62	resolution. -PDB 7/10/16
63	"""
64	wx.Dialog.__init__(self, parent, title=title,
65	size=(PNL_WIDTH, 350))
66	self.parent = parent
67	self.transform = transform
68	# Font
69	self.SetWindowVariant(variant=FONT_VARIANT)
70	# Registered owner for close event
71	self._registered_close = None
72	# dialog panel self call function to plot the fitting function
73	# calls the calling PlotPanel method onFitDisplay
74	self.push_data = push_data
75	# dialog self plottable - basically the plot we are working with
76	# passed in by the caller
77	self.plottable = plottable
78	# is this a Guinier fit
79	self.rg_on = False
80	# Receive transformations of x and y - basically transform is passed
81	# as caller method that returns its current value for these
82	self.xLabel, self.yLabel, self.Avalue, self.Bvalue, \
83	self.ErrAvalue, self.ErrBvalue, self.Chivalue = self.transform()
84
85	# Now set up the dialog interface
86	self.layout()
87	# Receives the type of model for the fitting
88	from .LineModel import LineModel
89	self.model = LineModel()
90	# Display the fittings values
91	self.default_A = self.model.getParam('A')
92	self.default_B = self.model.getParam('B')
93	self.cstA = fittings.Parameter(self.model, 'A', self.default_A)
94	self.cstB = fittings.Parameter(self.model, 'B', self.default_B)
95
96	# Set default value of parameter in the dialog panel
97	if self.Avalue is None:
98	self.tcA.SetValue(format_number(self.default_A))
99	else:
100	self.tcA.SetLabel(format_number(self.Avalue))
101	if self.Bvalue is None:
102	self.tcB.SetValue(format_number(self.default_B))
103	else:
104	self.tcB.SetLabel(format_number(self.Bvalue))
105	if self.ErrAvalue is None:
106	self.tcErrA.SetLabel(format_number(0.0))
107	else:
108	self.tcErrA.SetLabel(format_number(self.ErrAvalue))
109	if self.ErrBvalue is None:
110	self.tcErrB.SetLabel(format_number(0.0))
111	else:
112	self.tcErrB.SetLabel(format_number(self.ErrBvalue))
113	if self.Chivalue is None:
114	self.tcChi.SetLabel(format_number(0.0))
115	else:
116	self.tcChi.SetLabel(format_number(self.Chivalue))
117	if self.plottable.x != []:
118	# store the values of View in self.x,self.y,self.dx,self.dy
119	self.x, self.y, self.dx, \
120	self.dy = self.plottable.returnValuesOfView()
121	try:
122	self.mini = self.floatForwardTransform(min(self.x))
123	except:
124	self.mini = "Invalid"
125	try:
126	self.maxi = self.floatForwardTransform(max(self.x))
127	except:
128	self.maxi = "Invalid"
129
130	self.initXmin.SetValue(format_number(min(self.plottable.x)))
131	self.initXmax.SetValue(format_number(max(self.plottable.x)))
132	self.mini = min(self.x)
133	self.maxi = max(self.x)
134	self.xminFit.SetValue(format_number(self.mini))
135	self.xmaxFit.SetValue(format_number(self.maxi))
136
137	def layout(self):
138	"""
139	Sets up the panel layout for the linear fit including all the
140	labels, text entry boxes, and buttons.
141
142	"""
143
144	# set up sizers first.
145	# vbox is the panel sizer and is a vertical sizer
146	# The first element of the panel is sizer which is a gridbagsizer
147	# and contains most of the text fields
148	# this is followed by a line separator added to vbox
149	# and finally the sizer_button (a horizontal sizer) adds the buttons
150	vbox = wx.BoxSizer(wx.VERTICAL)
151	sizer = wx.GridBagSizer(5, 5)
152	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
153
154	#size of string boxes in pixels
155	_BOX_WIDTH = 100
156	_BOX_HEIGHT = 20
157	#now set up all the text fields
158	self.tcA = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
159	self.tcA.SetToolTipString("Fit value for the slope parameter.")
160	self.tcErrA = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
161	self.tcErrA.SetToolTipString("Error on the slope parameter.")
162	self.tcB = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
163	self.tcA.SetToolTipString("Fit value for the constant parameter.")
164	self.tcErrB = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
165	self.tcErrB.SetToolTipString("Error on the constant parameter.")
166	self.tcChi = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
167	self.tcChi.SetToolTipString("Chi^2 over degrees of freedom.")
168	self.xminFit = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
169	msg = "Enter the minimum value on "
170	msg += "the x-axis to be included in the fit."
171	self.xminFit.SetToolTipString(msg)
172	self.xmaxFit = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
173	msg = "Enter the maximum value on "
174	msg += " the x-axis to be included in the fit."
175	self.xmaxFit.SetToolTipString(msg)
176	self.initXmin = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
177	msg = "Minimum value on the x-axis for the plotted data."
178	self.initXmin.SetToolTipString(msg)
179	self.initXmax = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, _BOX_HEIGHT))
180	msg = "Maximum value on the x-axis for the plotted data."
181	self.initXmax.SetToolTipString(msg)
182
183	# Make the info box not editable
184	# _BACKGROUND_COLOR = '#ffdf85'
185	_BACKGROUND_COLOR = self.GetBackgroundColour()
186	self.initXmin.SetEditable(False)
187	self.initXmin.SetBackgroundColour(_BACKGROUND_COLOR)
188	self.initXmax.SetEditable(False)
189	self.initXmax.SetBackgroundColour(_BACKGROUND_COLOR)
190
191	#set some flags for specific types of fits like Guinier (Rg) and
192	#Porod (bg) -- this will determine WHAT boxes show up in the
193	#sizer layout and depends on the active axis transform
194	self.bg_on = False
195	if RG_ON:
196	if (self.yLabel == "ln(y)" or self.yLabel == "ln(y*x)") and \
197	(self.xLabel == "x^(2)"):
198	self.rg_on = True
199	if (self.xLabel == "x^(4)") and (self.yLabel == "y*x^(4)"):
200	self.bg_on = True
201
202	# Finally set up static text strings
203	warning = "WARNING! Resolution is NOT accounted for. \n"
204	warning += "Thus slit smeared data will give very wrong answers!"
205	self.textwarn = wx.StaticText(self, -1, warning)
206	self.textwarn.SetForegroundColour(wx.RED)
207	explanation = "Perform fit for y(x) = ax + b \n"
208	if self.bg_on:
209	param_a = 'Background (= Parameter a)'
210	else:
211	param_a = 'Parameter a'
212
213
214	#Now set this all up in the GridBagSizer sizer
215	ix = 0
216	iy = 0
217	sizer.Add(self.textwarn, (iy, ix),
218	(2, 3), wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
219	iy += 2
220	sizer.Add(wx.StaticText(self, -1, explanation), (iy, ix),
221	(1, 1), wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
222	iy += 1
223	sizer.Add(wx.StaticText(self, -1, param_a), (iy, ix),
224	(1, 1), wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
225	ix += 1
226	sizer.Add(self.tcA, (iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
227	ix += 1
228	sizer.Add(wx.StaticText(self, -1, '+/-'),
229	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
230	ix += 1
231	sizer.Add(self.tcErrA, (iy, ix), (1, 1),
232	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
233	iy += 1
234	ix = 0
235	sizer.Add(wx.StaticText(self, -1, 'Parameter b'), (iy, ix), (1, 1),
236	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
237	ix += 1
238	sizer.Add(self.tcB, (iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
239	ix += 1
240	sizer.Add(wx.StaticText(self, -1, '+/-'), (iy, ix),
241	(1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
242	ix += 1
243	sizer.Add(self.tcErrB, (iy, ix), (1, 1),
244	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
245	iy += 1
246	ix = 0
247	sizer.Add(wx.StaticText(self, -1, 'Chi2/dof'), (iy, ix), (1, 1),
248	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
249	ix += 1
250	sizer.Add(self.tcChi, (iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
251	iy += 2
252	ix = 1
253	sizer.Add(wx.StaticText(self, -1, 'Min'), (iy, ix), (1, 1),
254	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
255	ix += 2
256	sizer.Add(wx.StaticText(self, -1, 'Max'), (iy, ix),
257	(1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
258
259	iy += 1
260	ix = 0
261	sizer.Add(wx.StaticText(self, -1, 'Maximum range (linear scale)'),
262	(iy, ix), (1, 1),
263	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
264	ix += 1
265	sizer.Add(self.initXmin, (iy, ix), (1, 1),
266	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
267	ix += 2
268	sizer.Add(self.initXmax, (iy, ix), (1, 1),
269	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
270
271	iy += 1
272	ix = 0
273	sizer.Add(wx.StaticText(self, -1, 'Fit range of ' + self.xLabel),
274	(iy, ix), (1, 1),
275	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
276	ix += 1
277	sizer.Add(self.xminFit, (iy, ix), (1, 1),
278	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
279	ix += 2
280	sizer.Add(self.xmaxFit, (iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
281	if self.rg_on:
282	self.SetSize((PNL_WIDTH, PNL_HEIGHT))
283	I0_stxt = wx.StaticText(self, -1, 'I(q=0)')
284	self.I0_tctr = wx.TextCtrl(self, -1, '')
285	self.I0_tctr.SetEditable(False)
286	self.I0_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
287	self.I0err_tctr = wx.TextCtrl(self, -1, '')
288	self.I0err_tctr.SetEditable(False)
289	self.I0err_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
290	Rg_stxt = wx.StaticText(self, -1, 'Rg [A]')
291	Rg_stxt.Show(self.yLabel == "ln(y)")
292	self.Rg_tctr = wx.TextCtrl(self, -1, '')
293	self.Rg_tctr.SetEditable(False)
294	self.Rg_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
295	self.Rg_tctr.Show(self.yLabel == "ln(y)")
296	self.Rgerr_tctr = wx.TextCtrl(self, -1, '')
297	self.Rgerr_tctr.SetEditable(False)
298	self.Rgerr_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
299	self.Rgerr_tctr.Show(self.yLabel == "ln(y)")
300	self.Rgerr_pm = wx.StaticText(self, -1, '+/-')
301	self.Rgerr_pm.Show(self.yLabel == "ln(y)")
302	Diameter_stxt = wx.StaticText(self, -1, 'Rod Diameter [A]')
303	Diameter_stxt.Show(self.yLabel == "ln(y*x)")
304	self.Diameter_tctr = wx.TextCtrl(self, -1, '')
305	self.Diameter_tctr.SetEditable(False)
306	self.Diameter_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
307	self.Diameter_tctr.Show(self.yLabel == "ln(y*x)")
308	self.Diameter_pm = wx.StaticText(self, -1, '+/-')
309	self.Diameter_pm.Show(self.yLabel == "ln(y*x)")
310	self.Diametererr_tctr = wx.TextCtrl(self, -1, '')
311	self.Diametererr_tctr.SetEditable(False)
312	self.Diametererr_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
313	self.Diametererr_tctr.Show(self.yLabel == "ln(y*x)")
314	RgQmin_stxt = wx.StaticText(self, -1, 'Rg*Qmin')
315	self.RgQmin_tctr = wx.TextCtrl(self, -1, '')
316	self.RgQmin_tctr.SetEditable(False)
317	self.RgQmin_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
318	RgQmax_stxt = wx.StaticText(self, -1, 'Rg*Qmax')
319	self.RgQmax_tctr = wx.TextCtrl(self, -1, '')
320	self.RgQmax_tctr.SetEditable(False)
321	self.RgQmax_tctr.SetBackgroundColour(_BACKGROUND_COLOR)
322
323	iy += 2
324	ix = 0
325	sizer.Add(I0_stxt, (iy, ix), (1, 1),
326	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
327	ix += 1
328	sizer.Add(self.I0_tctr, (iy, ix), (1, 1),
329	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
330	ix += 1
331	sizer.Add(wx.StaticText(self, -1, '+/-'), (iy, ix),
332	(1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
333	ix += 1
334	sizer.Add(self.I0err_tctr, (iy, ix), (1, 1),
335	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
336
337	iy += 1
338	ix = 0
339	sizer.Add(Rg_stxt, (iy, ix), (1, 1),
340	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
341	ix += 1
342	sizer.Add(self.Rg_tctr, (iy, ix), (1, 1),
343	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
344
345	ix += 1
346	sizer.Add(self.Rgerr_pm, (iy, ix),
347	(1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
348	ix += 1
349	sizer.Add(self.Rgerr_tctr, (iy, ix), (1, 1),
350	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
351	iy += 1
352	ix = 0
353	sizer.Add(Diameter_stxt, (iy, ix), (1, 1),
354	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
355	ix += 1
356	sizer.Add(self.Diameter_tctr, (iy, ix), (1, 1),
357	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
358
359	ix += 1
360	sizer.Add(self.Diameter_pm, (iy, ix),
361	(1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
362	ix += 1
363	sizer.Add(self.Diametererr_tctr, (iy, ix), (1, 1),
364	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
365	iy += 1
366	ix = 0
367	sizer.Add(RgQmin_stxt, (iy, ix), (1, 1),
368	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
369	ix += 1
370	sizer.Add(self.RgQmin_tctr, (iy, ix), (1, 1),
371	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
372	iy += 1
373	ix = 0
374	sizer.Add(RgQmax_stxt, (iy, ix), (1, 1),
375	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
376	ix += 1
377	sizer.Add(self.RgQmax_tctr, (iy, ix), (1, 1),
378	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
379
380	#Now add some space before the separation line
381	iy += 1
382	ix = 0
383	sizer.Add((20,20), (iy, ix), (1, 1),
384	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
385
386	# Buttons on the bottom
387	self.btFit = wx.Button(self, -1, 'Fit')
388	self.btFit.Bind(wx.EVT_BUTTON, self._onFit)
389	self.btFit.SetToolTipString("Perform fit.")
390	self.btClose = wx.Button(self, wx.ID_CANCEL, 'Close')
391	self.btClose.Bind(wx.EVT_BUTTON, self._on_close)
392	sizer_button.Add((20, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
393	sizer_button.Add(self.btFit, 0,
394	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
395	sizer_button.Add(self.btClose, 0,
396	wx.LEFT \| wx.RIGHT \| wx.ADJUST_MINSIZE, 10)
397
398	vbox.Add(sizer)
399	self.static_line_1 = wx.StaticLine(self, -1)
400	vbox.Add(self.static_line_1, 0, wx.EXPAND, 0)
401	vbox.Add(sizer_button, 0, wx.EXPAND \| wx.BOTTOM \| wx.TOP, 10)
402
403	# panel.SetSizer(sizer)
404	self.SetSizer(vbox)
405	self.Centre()
406
407	def register_close(self, owner):
408	"""
409	Method to register the close event to a parent
410	window that needs notification when the dialog
411	is closed
412
413	:param owner: parent window
414
415	"""
416	self._registered_close = owner
417
418	def _on_close(self, event):
419	"""
420	Close event.
421	Notify registered owner if available.
422	"""
423	event.Skip()
424	if self._registered_close is not None:
425	self._registered_close()
426
427	def _onFit(self, event):
428	"""
429	Performs the fit. Receive an event when clicking on
430	the button Fit.Computes chisqr ,
431	A and B parameters of the best linear fit y=Ax +B
432	Push a plottable to the caller
433	"""
434	tempx = []
435	tempy = []
436	tempdy = []
437
438	# Check if View contains a x array .we online fit when x exits
439	# makes transformation for y as a line to fit
440	if self.x != []:
441	if self.checkFitValues(self.xminFit) == True:
442	# Check if the field of Fit Dialog contain values
443	# and use the x max and min of the user
444	if not self._checkVal(self.xminFit, self.xmaxFit):
445	return
446	xminView = float(self.xminFit.GetValue())
447	xmaxView = float(self.xmaxFit.GetValue())
448	xmin = xminView
449	xmax = xmaxView
450	# Set the qmin and qmax in the panel that matches the
451	# transformed min and max
452	self.initXmin.SetValue(format_number(self.floatInvTransform(xmin)))
453	self.initXmax.SetValue(format_number(self.floatInvTransform(xmax)))
454	# Store the transformed values of view x, y,dy
455	# in variables before the fit
456	if self.yLabel.lower() == "log10(y)":
457	if self.xLabel.lower() == "log10(x)":
458	for i in range(len(self.x)):
459	if self.x[i] >= math.log10(xmin):
460	tempy.append(math.log10(self.y[i]))
461	tempdy.append(transform.errToLogX(self.y[i], 0, self.dy[i], 0))
462	else:
463	for i in range(len(self.y)):
464	tempy.append(math.log10(self.y[i]))
465	tempdy.append(transform.errToLogX(self.y[i], 0, self.dy[i], 0))
466	else:
467	tempy = self.y
468	tempdy = self.dy
469
470	if self.xLabel.lower() == "log10(x)":
471	for x_i in self.x:
472	if x_i >= math.log10(xmin):
473	tempx.append(math.log10(x_i))
474	else:
475	tempx = self.x
476
477	# Find the fitting parameters
478	# Always use the same defaults, so that fit history
479	# doesn't play a role!
480	self.cstA = fittings.Parameter(self.model, 'A', self.default_A)
481	self.cstB = fittings.Parameter(self.model, 'B', self.default_B)
482
483	if self.xLabel.lower() == "log10(x)":
484	tempdy = np.asarray(tempdy)
485	tempdy[tempdy == 0] = 1
486	chisqr, out, cov = fittings.sasfit(self.model,
487	[self.cstA, self.cstB],
488	tempx, tempy,
489	tempdy,
490	math.log10(xmin),
491	math.log10(xmax))
492	else:
493	tempdy = np.asarray(tempdy)
494	tempdy[tempdy == 0] = 1
495	chisqr, out, cov = fittings.sasfit(self.model,
496	[self.cstA, self.cstB],
497	tempx, tempy, tempdy,
498	xminView, xmaxView)
499	# Use chi2/dof
500	if len(tempx) > 0:
501	chisqr = chisqr / len(tempx)
502
503	# Check that cov and out are iterable before displaying them
504	if cov is None:
505	errA = 0.0
506	errB = 0.0
507	else:
508	errA = math.sqrt(cov[0][0])
509	errB = math.sqrt(cov[1][1])
510	if out is None:
511	cstA = 0.0
512	cstB = 0.0
513	else:
514	cstA = out[0]
515	cstB = out[1]
516	# Reset model with the right values of A and B
517	self.model.setParam('A', float(cstA))
518	self.model.setParam('B', float(cstB))
519
520	tempx = []
521	tempy = []
522	y_model = 0.0
523	# load tempy with the minimum transformation
524
525	if self.xLabel == "log10(x)":
526	y_model = self.model.run(math.log10(xmin))
527	tempx.append(xmin)
528	else:
529	y_model = self.model.run(xminView)
530	tempx.append(xminView)
531
532	if self.yLabel == "log10(y)":
533	tempy.append(math.pow(10, y_model))
534	else:
535	tempy.append(y_model)
536
537	# load tempy with the maximum transformation
538	if self.xLabel == "log10(x)":
539	y_model = self.model.run(math.log10(xmax))
540	tempx.append(xmax)
541	else:
542	y_model = self.model.run(xmaxView)
543	tempx.append(xmaxView)
544
545	if self.yLabel == "log10(y)":
546	tempy.append(math.pow(10, y_model))
547	else:
548	tempy.append(y_model)
549	# Set the fit parameter display when FitDialog is opened again
550	self.Avalue = cstA
551	self.Bvalue = cstB
552	self.ErrAvalue = errA
553	self.ErrBvalue = errB
554	self.Chivalue = chisqr
555	self.push_data(tempx, tempy, xminView, xmaxView,
556	xmin, xmax, self._ongetValues())
557
558	# Display the fitting value on the Fit Dialog
559	self._onsetValues(cstA, cstB, errA, errB, chisqr)
560
561	def _onsetValues(self, cstA, cstB, errA, errB, Chi):
562	"""
563	Display the value on fit Dialog
564	"""
565	rg = None
566	_diam = None
567	self.tcA.SetValue(format_number(cstA))
568	self.tcB.SetValue(format_number(cstB))
569	self.tcErrA.SetValue(format_number(errA))
570	self.tcErrB.SetValue(format_number(errB))
571	self.tcChi.SetValue(format_number(Chi))
572	if self.rg_on:
573	if self.Rg_tctr.IsShown():
574	rg = np.sqrt(-3 * float(cstA))
575	value = format_number(rg)
576	self.Rg_tctr.SetValue(value)
577	if self.I0_tctr.IsShown():
578	val = np.exp(cstB)
579	self.I0_tctr.SetValue(format_number(val))
580	if self.Rgerr_tctr.IsShown():
581	if rg is not None and rg != 0:
582	value = format_number(3 * float(errA) / (2 * rg))
583	else:
584	value = ''
585	self.Rgerr_tctr.SetValue(value)
586	if self.I0err_tctr.IsShown():
587	val = np.abs(np.exp(cstB) * errB)
588	self.I0err_tctr.SetValue(format_number(val))
589	if self.Diameter_tctr.IsShown():
590	rg = np.sqrt(-2 * float(cstA))
591	_diam = 4 * np.sqrt(-float(cstA))
592	value = format_number(_diam)
593	self.Diameter_tctr.SetValue(value)
594	if self.Diametererr_tctr.IsShown():
595	if rg is not None and rg != 0:
596	value = format_number(8 * float(errA) / _diam)
597	else:
598	value = ''
599	self.Diametererr_tctr.SetValue(value)
600	if self.RgQmin_tctr.IsShown():
601	value = format_number(rg * self.floatInvTransform(self.mini))
602	self.RgQmin_tctr.SetValue(value)
603	if self.RgQmax_tctr.IsShown():
604	value = format_number(rg * self.floatInvTransform(self.maxi))
605	self.RgQmax_tctr.SetValue(value)
606
607	def _ongetValues(self):
608	"""
609	Display the value on fit Dialog
610	"""
611	return self.Avalue, self.Bvalue, self.ErrAvalue, \
612	self.ErrBvalue, self.Chivalue
613
614	def _checkVal(self, usermin, usermax):
615	"""
616	Ensure that fields parameter contains a min and a max value
617	within x min and x max range
618	"""
619	self.mini = float(self.xminFit.GetValue())
620	self.maxi = float(self.xmaxFit.GetValue())
621	flag = True
622	try:
623	mini = float(usermin.GetValue())
624	maxi = float(usermax.GetValue())
625	if mini < maxi:
626	usermin.SetBackgroundColour(wx.WHITE)
627	usermin.Refresh()
628	else:
629	flag = False
630	usermin.SetBackgroundColour("pink")
631	usermin.Refresh()
632	except:
633	# Check for possible values entered
634	flag = False
635	usermin.SetBackgroundColour("pink")
636	usermin.Refresh()
637
638	return flag
639
640	def floatForwardTransform(self, x):
641	"""
642	transform a float.
643	"""
644	# TODO: refactor this with proper object-oriented design
645	# This code stinks.
646	if self.xLabel == "x":
647	return transform.toX(x)
648	if self.xLabel == "x^(2)":
649	return transform.toX2(x)
650	if self.xLabel == "ln(x)":
651	return transform.toLogX(x)
652	if self.xLabel == "log10(x)":
653	return math.log10(x)
654
655	def floatTransform(self, x):
656	"""
657	transform a float.It is use to determine the x.
658	View min and x.View max for values
659	not in x
660	"""
661	# TODO: refactor this with proper object-oriented design
662	# This code stinks.
663	if self.xLabel == "x":
664	return transform.toX(x)
665	if self.xLabel == "x^(2)":
666	return transform.toX2(x)
667	if self.xLabel == "ln(x)":
668	return transform.toLogX(x)
669	if self.xLabel == "log10(x)":
670	if x > 0:
671	return x
672	else:
673	raise ValueError("cannot compute log of a negative number")
674
675	def floatInvTransform(self, x):
676	"""
677	transform a float.It is used to determine the x.View min and x.View
678	max for values not in x. Also used to properly calculate RgQmin,
679	RgQmax and to update qmin and qmax in the linear range boxes on the
680	panel.
681
682	"""
683	# TODO: refactor this. This is just a hack to make the
684	# functionality work without rewritting the whole code
685	# with good design (which really should be done...).
686	if self.xLabel == "x":
687	return x
688	elif self.xLabel == "x^(2)":
689	return math.sqrt(x)
690	elif self.xLabel == "x^(4)":
691	return math.sqrt(math.sqrt(x))
692	elif self.xLabel == "log10(x)":
693	return math.pow(10, x)
694	elif self.xLabel == "ln(x)":
695	return math.exp(x)
696	elif self.xLabel == "log10(x^(4))":
697	return math.sqrt(math.sqrt(math.pow(10, x)))
698	return x
699
700	def checkFitValues(self, item):
701	"""
702	Check the validity of input values
703	"""
704	flag = True
705	value = item.GetValue()
706	# Check for possible values entered
707	if self.xLabel == "log10(x)":
708	if float(value) > 0:
709	item.SetBackgroundColour(wx.WHITE)
710	item.Refresh()
711	else:
712	flag = False
713	item.SetBackgroundColour("pink")
714	item.Refresh()
715	return flag
716
717	def setFitRange(self, xmin, xmax, xminTrans, xmaxTrans):
718	"""
719	Set fit parameters
720	"""
721	self.xminFit.SetValue(format_number(xmin))
722	self.xmaxFit.SetValue(format_number(xmax))
723
724	def set_fit_region(self, xmin, xmax):
725	"""
726	Set the fit region
727	:param xmin: minimum x-value to be included in fit
728	:param xmax: maximum x-value to be included in fit
729	"""
730	# Check values
731	try:
732	float(xmin)
733	float(xmax)
734	except:
735	msg = "LinearFit.set_fit_region: fit range must be floats"
736	raise ValueError(msg)
737	self.xminFit.SetValue(format_number(xmin))
738	self.xmaxFit.SetValue(format_number(xmax))
739
740
741	class MyApp(wx.App):
742	"""
743	Test application
744	"""
745	def OnInit(self):
746	"""
747	Test application initialization
748	"""
749	wx.InitAllImageHandlers()
750	plot = Theory1D([], [])
751	dialog = LinearFit(parent=None, plottable=plot,
752	push_data=self.onFitDisplay,
753	transform=self.returnTrans,
754	title='Linear Fit')
755	if dialog.ShowModal() == wx.ID_OK:
756	pass
757	dialog.Destroy()
758	return 1
759
760	def onFitDisplay(self, tempx, tempy, xminView, xmaxView, xmin, xmax, func):
761	"""
762	Test application dummy method
763	"""
764	pass
765
766	def returnTrans(self):
767	"""
768	Test application dummy method
769	"""
770	return '', '', 0, 0, 0, 0, 0

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SasView

source: sasview/src/sas/sasgui/plottools/fitDialog.py @ 8a518285

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