fitDialog.py @ dd545d1

ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc

Last change on this file since dd545d1 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

Rev	Line
[959eb01]	1	import wx
[fa81e94]	2	from .plottables import Theory1D
[959eb01]	3	import math
	4	import numpy as np
[fa81e94]	5	from . import fittings
	6	from . import transform
[959eb01]	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
[fa81e94]	88	from .LineModel import LineModel
[959eb01]	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
[235f514]	97	if self.Avalue is None:
[959eb01]	98	self.tcA.SetValue(format_number(self.default_A))
	99	else:
	100	self.tcA.SetLabel(format_number(self.Avalue))
[235f514]	101	if self.Bvalue is None:
[959eb01]	102	self.tcB.SetValue(format_number(self.default_B))
	103	else:
	104	self.tcB.SetLabel(format_number(self.Bvalue))
[235f514]	105	if self.ErrAvalue is None:
[959eb01]	106	self.tcErrA.SetLabel(format_number(0.0))
	107	else:
	108	self.tcErrA.SetLabel(format_number(self.ErrAvalue))
[235f514]	109	if self.ErrBvalue is None:
[959eb01]	110	self.tcErrB.SetLabel(format_number(0.0))
	111	else:
	112	self.tcErrB.SetLabel(format_number(self.ErrBvalue))
[235f514]	113	if self.Chivalue is None:
[959eb01]	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
[235f514]	504	if cov is None:
[959eb01]	505	errA = 0.0
	506	errB = 0.0
	507	else:
	508	errA = math.sqrt(cov[0][0])
	509	errB = math.sqrt(cov[1][1])
[235f514]	510	if out is None:
[959eb01]	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():
[7432acb]	581	if rg is not None and rg != 0:
[959eb01]	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():
[7432acb]	595	if rg is not None and rg != 0:
[959eb01]	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:
[fa81e94]	673	raise ValueError("cannot compute log of a negative number")
[959eb01]	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"
[fa81e94]	736	raise ValueError(msg)
[959eb01]	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 @ dd545d1

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