def build_display(self):
titleopts = dict(font=Font(12), colour='#AA0000')
panel = self.panel
wids = self.wids
self.skip_process = True
wids['plotone_op'] = Choice(panel,
choices=PlotOne_Choices,
action=self.onPlotOne,
size=(175, -1))
wids['plotalt_op'] = Choice(panel,
choices=PlotAlt_Choices,
action=self.onPlotOne,
size=(175, -1))
wids['plotsel_op'] = Choice(panel,
choices=PlotSel_Choices,
action=self.onPlotSel,
size=(175, -1))
wids['plotone_op'].SetStringSelection(chik)
wids['plotsel_op'].SetStringSelection(chik)
wids['plotalt_op'].SetStringSelection(noplot)
plot_one = Button(panel,
'Plot This Group',
size=(150, -1),
action=self.onPlotOne)
plot_sel = Button(panel,
'Plot Selected Groups',
size=(150, -1),
action=self.onPlotSel)
saveconf = Button(panel,
'Save as Default Settings',
size=(200, -1),
action=self.onSaveConfigBtn)
def FloatSpinWithPin(name, value, **kws):
s = wx.BoxSizer(wx.HORIZONTAL)
self.wids[name] = FloatSpin(panel, value=value, **kws)
bb = BitmapButton(panel,
get_icon('pin'),
size=(25, 25),
action=partial(self.onSelPoint, opt=name),
tooltip='use last point selected from plot')
s.Add(wids[name])
s.Add(bb)
return s
wids['plot_voffset'] = FloatSpin(panel,
value=0,
digits=2,
increment=0.25,
action=self.onProcess)
wids['plot_kweight'] = FloatSpin(panel,
value=2,
digits=1,
increment=1,
action=self.onProcess,
min_val=0,
max_val=5)
wids['plot_kweight_alt'] = FloatSpin(panel,
value=2,
digits=1,
increment=1,
action=self.onProcess,
min_val=0,
max_val=5)
opts = dict(digits=2, increment=0.1, min_val=0, action=self.onProcess)
wids['e0'] = FloatSpin(panel, **opts)
opts['max_val'] = 5
wids['rbkg'] = FloatSpin(panel, value=1.0, **opts)
opts['max_val'] = 125
bkg_kmin = FloatSpinWithPin('bkg_kmin', value=0, **opts)
bkg_kmax = FloatSpinWithPin('bkg_kmax', value=20, **opts)
fft_kmin = FloatSpinWithPin('fft_kmin', value=0, **opts)
fft_kmax = FloatSpinWithPin('fft_kmax', value=20, **opts)
wids['fft_dk'] = FloatSpin(panel, value=3, **opts)
opts.update({'increment': 1, 'digits': 1, 'max_val': 5})
wids['bkg_kweight'] = FloatSpin(panel, value=1, **opts)
wids['fft_kweight'] = FloatSpin(panel, value=1, **opts)
opts = dict(choices=CLAMPLIST, size=(80, -1), action=self.onProcess)
wids['bkg_clamplo'] = Choice(panel, **opts)
wids['bkg_clamphi'] = Choice(panel, **opts)
wids['fft_kwindow'] = Choice(panel,
choices=list(FTWINDOWS),
action=self.onProcess,
size=(125, -1))
def add_text(text, dcol=1, newrow=True):
panel.Add(SimpleText(panel, text), dcol=dcol, newrow=newrow)
panel.Add(SimpleText(panel, ' EXAFS Processing', **titleopts), dcol=5)
panel.Add(plot_sel, newrow=True)
panel.Add(self.wids['plotsel_op'], dcol=2)
add_text('Vertical offset: ', newrow=False)
panel.Add(wids['plot_voffset'], dcol=2)
panel.Add(plot_one, newrow=True)
panel.Add(self.wids['plotone_op'], dcol=2)
add_text('Plot k weight: ', newrow=False)
panel.Add(wids['plot_kweight'])
add_text('Add Second Plot: ', newrow=True)
panel.Add(self.wids['plotalt_op'], dcol=2)
add_text('Plot2 k weight: ', newrow=False)
panel.Add(wids['plot_kweight_alt'])
panel.Add(HLine(panel, size=(500, 3)), dcol=6, newrow=True)
panel.Add(SimpleText(panel, ' Background subtraction', **titleopts),
dcol=2,
newrow=True)
panel.Add(Button(panel,
'Copy To Selected Groups',
size=(175, -1),
action=partial(self.onCopyParam, 'bkg')),
dcol=2)
add_text('R bkg: ')
panel.Add(wids['rbkg'])
add_text('E0: ', newrow=False)
panel.Add(wids['e0'])
add_text('k min: ')
panel.Add(bkg_kmin)
add_text('k max:', newrow=False)
panel.Add(bkg_kmax)
add_text('kweight: ', newrow=True)
panel.Add(wids['bkg_kweight'], dcol=1)
add_text('Clamps Low E: ', newrow=True)
panel.Add(wids['bkg_clamplo'])
add_text('high E: ', newrow=False)
panel.Add(wids['bkg_clamphi'])
panel.Add(HLine(panel, size=(500, 3)), dcol=6, newrow=True)
panel.Add(SimpleText(panel, ' Fourier transform', **titleopts),
dcol=2,
newrow=True)
panel.Add(Button(panel,
'Copy to Selected Groups',
size=(175, -1),
action=partial(self.onCopyParam, 'fft')),
dcol=2)
panel.Add(SimpleText(panel, 'k min: '), newrow=True)
panel.Add(fft_kmin)
panel.Add(SimpleText(panel, 'k max:'))
panel.Add(fft_kmax)
panel.Add(SimpleText(panel, 'k weight : '), newrow=True)
panel.Add(wids['fft_kweight'])
panel.Add(SimpleText(panel, 'K window : '), newrow=True)
panel.Add(wids['fft_kwindow'])
panel.Add(SimpleText(panel, ' dk : '))
panel.Add(wids['fft_dk'])
panel.Add(HLine(panel, size=(500, 3)), dcol=6, newrow=True)
panel.Add(saveconf, dcol=4, newrow=True)
panel.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add(panel, 1, LCEN, 3)
pack(self, sizer)
self.skip_process = False
def build(self):
sizer = wx.GridBagSizer(10, 5)
sizer.SetVGap(5)
sizer.SetHGap(5)
panel = scrolled.ScrolledPanel(self)
self.SetMinSize((600, 450))
self.colors = GUIColors()
# title row
self.wids = wids = {}
title = SimpleText(panel, 'Fit Results', font=Font(12),
colour=self.colors.title, style=LCEN)
wids['data_title'] = SimpleText(panel, '< > ', font=Font(12),
colour=self.colors.title, style=LCEN)
wids['hist_info'] = SimpleText(panel, ' ___ ', font=Font(12),
colour=self.colors.title, style=LCEN)
sizer.Add(title, (0, 0), (1, 2), LCEN)
sizer.Add(wids['data_title'], (0, 2), (1, 2), LCEN)
sizer.Add(wids['hist_info'], (0, 4), (1, 2), LCEN)
irow = 1
wids['model_desc'] = SimpleText(panel, '<Model>', font=Font(12),
size=(550, 75), style=LCEN)
sizer.Add(wids['model_desc'], (irow, 0), (1, 6), LCEN)
irow += 1
sizer.Add(HLine(panel, size=(400, 3)), (irow, 0), (1, 5), LCEN)
irow += 1
title = SimpleText(panel, '[[Fit Statistics]]', font=Font(12),
colour=self.colors.title, style=LCEN)
sizer.Add(title, (irow, 0), (1, 4), LCEN)
for label, attr in (('Fit method', 'method'),
('# Fit Evaluations', 'nfev'),
('# Data Points', 'ndata'),
('# Fit Variables', 'nvarys'),
('# Free Points', 'nfree'),
('Chi-square', 'chisqr'),
('Reduced Chi-square', 'redchi'),
('Akaike Info Criteria', 'aic'),
('Bayesian Info Criteria', 'bic')):
irow += 1
wids[attr] = SimpleText(panel, '?')
sizer.Add(SimpleText(panel, " %s = " % label), (irow, 0), (1, 1), LCEN)
sizer.Add(wids[attr], (irow, 1), (1, 1), LCEN)
irow += 1
sizer.Add(HLine(panel, size=(400, 3)), (irow, 0), (1, 5), LCEN)
irow += 1
title = SimpleText(panel, '[[Variables]]', font=Font(12),
colour=self.colors.title, style=LCEN)
sizer.Add(title, (irow, 0), (1, 1), LCEN)
self.wids['copy_params'] = Button(panel, 'Update Model with Best Fit Values',
size=(250, -1), action=self.onCopyParams)
sizer.Add(self.wids['copy_params'], (irow, 1), (1, 3), LCEN)
dvstyle = dv.DV_SINGLE|dv.DV_VERT_RULES|dv.DV_ROW_LINES
pview = self.wids['params'] = dv.DataViewListCtrl(panel, style=dvstyle)
self.wids['paramsdata'] = []
pview.AppendTextColumn('Parameter', width=150)
pview.AppendTextColumn('Best-Fit Value', width=100)
pview.AppendTextColumn('Standard Error', width=100)
pview.AppendTextColumn('Info ', width=275)
for col in (0, 1, 2, 3):
this = pview.Columns[col]
isort, align = True, wx.ALIGN_LEFT
if col in (1, 2):
isort, align = False, wx.ALIGN_RIGHT
this.Sortable = isort
this.Alignment = this.Renderer.Alignment = align
pview.SetMinSize((650, 200))
pview.Bind(dv.EVT_DATAVIEW_SELECTION_CHANGED, self.onSelectParameter)
irow += 1
sizer.Add(pview, (irow, 0), (1, 5), LCEN)
irow += 1
sizer.Add(HLine(panel, size=(400, 3)), (irow, 0), (1, 5), LCEN)
irow += 1
title = SimpleText(panel, '[[Correlations]]', font=Font(12),
colour=self.colors.title, style=LCEN)
self.wids['all_correl'] = Button(panel, 'Show All',
size=(100, -1), action=self.onAllCorrel)
self.wids['min_correl'] = FloatSpin(panel, value=MIN_CORREL,
min_val=0, size=(60, -1),
digits=3, increment=0.1)
ctitle = SimpleText(panel, 'minimum correlation: ')
sizer.Add(title, (irow, 0), (1, 1), LCEN)
sizer.Add(ctitle, (irow, 1), (1, 1), LCEN)
sizer.Add(self.wids['min_correl'], (irow, 2), (1, 1), LCEN)
sizer.Add(self.wids['all_correl'], (irow, 3), (1, 1), LCEN)
irow += 1
cview = self.wids['correl'] = dv.DataViewListCtrl(panel, style=dvstyle)
cview.AppendTextColumn('Parameter 1', width=150)
cview.AppendTextColumn('Parameter 2', width=150)
cview.AppendTextColumn('Correlation', width=100)
for col in (0, 1, 2):
this = cview.Columns[col]
isort, align = True, wx.ALIGN_LEFT
if col == 1:
isort = False
if col == 2:
align = wx.ALIGN_RIGHT
this.Sortable = isort
this.Alignment = this.Renderer.Alignment = align
cview.SetMinSize((450, 200))
irow += 1
sizer.Add(cview, (irow, 0), (1, 5), LCEN)
irow += 1
sizer.Add(HLine(panel, size=(400, 3)), (irow, 0), (1, 5), LCEN)
pack(panel, sizer)
panel.SetupScrolling()
mainsizer = wx.BoxSizer(wx.VERTICAL)
mainsizer.Add(panel, 1, wx.GROW|wx.ALL, 1)
pack(self, mainsizer)
self.Show()
self.Raise()
def CopyBtn(name):
return Button(xas,
'Copy',
size=(50, -1),
action=partial(self.onCopyParam, name))
def build_display(self):
titleopts = dict(font=Font(12), colour='#AA0000')
xas = self.panel
self.wids = {}
self.plotone_op = Choice(xas,
choices=list(PlotOne_Choices.keys()),
action=self.onPlotOne,
size=(175, -1))
self.plotsel_op = Choice(xas,
choices=list(PlotSel_Choices.keys()),
action=self.onPlotSel,
size=(175, -1))
self.plotone_op.SetSelection(1)
self.plotsel_op.SetSelection(1)
plot_one = Button(xas,
'Plot This Group',
size=(150, -1),
action=self.onPlotOne)
plot_sel = Button(xas,
'Plot Selected Groups',
size=(150, -1),
action=self.onPlotSel)
opts = dict(action=self.onReprocess)
e0opts_panel = wx.Panel(xas)
self.wids['autoe0'] = Check(e0opts_panel,
default=True,
label='auto?',
**opts)
self.wids['showe0'] = Check(e0opts_panel,
default=True,
label='show?',
**opts)
sx = wx.BoxSizer(wx.HORIZONTAL)
sx.Add(self.wids['autoe0'], 0, LCEN, 4)
sx.Add(self.wids['showe0'], 0, LCEN, 4)
pack(e0opts_panel, sx)
self.wids['autostep'] = Check(xas, default=True, label='auto?', **opts)
opts['size'] = (50, -1)
self.wids['vict'] = Choice(xas, choices=('0', '1', '2', '3'), **opts)
self.wids['nnor'] = Choice(xas, choices=('0', '1', '2', '3'), **opts)
self.wids['vict'].SetSelection(1)
self.wids['nnor'].SetSelection(1)
opts.update({'size': (100, -1), 'digits': 2, 'increment': 5.0})
xas_pre1 = self.add_floatspin('pre1', value=-1000, **opts)
xas_pre2 = self.add_floatspin('pre2', value=-30, **opts)
xas_nor1 = self.add_floatspin('nor1', value=50, **opts)
xas_nor2 = self.add_floatspin('nor2', value=5000, **opts)
opts = {'digits': 2, 'increment': 0.1, 'value': 0}
xas_e0 = self.add_floatspin('e0', action=self.onSet_XASE0, **opts)
xas_step = self.add_floatspin('step',
action=self.onSet_XASStep,
with_pin=False,
**opts)
saveconf = Button(xas,
'Save as Default Settings',
size=(200, -1),
action=self.onSaveConfigBtn)
def CopyBtn(name):
return Button(xas,
'Copy',
size=(50, -1),
action=partial(self.onCopyParam, name))
add_text = self.add_text
xas.Add(SimpleText(xas, ' XAS Pre-edge subtraction and Normalization',
**titleopts),
dcol=4)
xas.Add(SimpleText(xas, 'Copy to Selected Groups?'),
style=RCEN,
dcol=3)
xas.Add(plot_sel, newrow=True)
xas.Add(self.plotsel_op, dcol=6)
xas.Add(plot_one, newrow=True)
xas.Add(self.plotone_op, dcol=4)
xas.Add((10, 10))
xas.Add(CopyBtn('plotone_op'), style=RCEN)
add_text('E0 : ')
xas.Add(xas_e0)
xas.Add(e0opts_panel, dcol=3)
xas.Add((10, 1))
xas.Add(CopyBtn('xas_e0'), style=RCEN)
add_text('Edge Step: ')
xas.Add(xas_step)
xas.Add(self.wids['autostep'], dcol=3)
xas.Add((10, 1))
xas.Add(CopyBtn('xas_step'), style=RCEN)
add_text('Pre-edge range: ')
xas.Add(xas_pre1)
add_text(' : ', newrow=False)
xas.Add(xas_pre2)
xas.Add(SimpleText(xas, 'Victoreen:'))
xas.Add(self.wids['vict'])
xas.Add(CopyBtn('xas_pre'), style=RCEN)
add_text('Normalization range: ')
xas.Add(xas_nor1)
add_text(' : ', newrow=False)
xas.Add(xas_nor2)
xas.Add(SimpleText(xas, 'Poly Order:'))
xas.Add(self.wids['nnor'])
xas.Add(CopyBtn('xas_norm'), style=RCEN)
xas.Add(saveconf, dcol=6, newrow=True)
xas.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add((5, 5), 0, LCEN, 3)
sizer.Add(HLine(self, size=(550, 2)), 0, LCEN, 3)
sizer.Add(xas, 0, LCEN, 3)
sizer.Add((5, 5), 0, LCEN, 3)
sizer.Add(HLine(self, size=(550, 2)), 0, LCEN, 3)
pack(self, sizer)
def build_display(self):
panel = self.panel
wids = self.wids
self.skip_process = True
wids['fitspace'] = Choice(panel,
choices=FitSpace_Choices,
size=(175, -1))
wids['fitspace'].SetStringSelection(norm)
wids['plotchoice'] = Choice(panel,
choices=Plot_Choices,
size=(175, -1),
action=self.onPlot)
wids['plotchoice'].SetSelection(0)
add_text = self.add_text
opts = dict(digits=2, increment=1.0)
w_xmin = self.add_floatspin('xmin', value=defaults['xmin'], **opts)
w_xmax = self.add_floatspin('xmax', value=defaults['xmax'], **opts)
w_wmin = self.add_floatspin('weight_min',
digits=4,
value=defaults['weight_min'],
increment=0.001,
with_pin=False,
min_val=0,
max_val=0.5,
action=self.onSet_WeightMin)
autoset_fs_increment(self.wids['weight_min'], defaults['weight_min'])
self.wids['weight_auto'] = Check(panel, default=True, label='auto?')
w_mcomps = self.add_floatspin('max_components',
digits=0,
value=defaults['max_components'],
increment=1,
with_pin=False,
min_val=0)
b_build_model = Button(panel,
'Build Model With Selected Groups',
size=(275, -1),
action=self.onBuildPCAModel)
wids['fit_group'] = Button(panel,
'Test Current Group with Model',
size=(225, -1),
action=self.onFitGroup)
wids['save_model'] = Button(panel,
'Save PCA Model',
size=(150, -1),
action=self.onSavePCAModel)
wids['load_model'] = Button(panel,
'Load PCA Model',
size=(150, -1),
action=self.onLoadPCAModel)
wids['fit_group'].Disable()
wids['load_model'].Disable()
wids['save_model'].Disable()
collabels = [
' Variance ', ' IND value ', ' IND / IND_Best', ' Factor Weight'
]
colsizes = [100, 100, 100, 200]
coltypes = ['float:12,6', 'float:12,6', 'float:12,5', 'string']
coldefs = [0.0, 0.0, 1.0, '0.0']
wids['table'] = DataTableGrid(panel,
nrows=MAX_ROWS,
collabels=collabels,
datatypes=coltypes,
defaults=coldefs,
colsizes=colsizes,
rowlabelsize=60)
wids['table'].SetMinSize((625, 175))
wids['table'].EnableEditing(False)
#
# sview = self.wids['stats'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
# sview.AppendTextColumn(' Component', width=75)
# sview.AppendTextColumn(' Weight', width=100)
# sview.AppendTextColumn(' Significant?', width=75)
#
# for col in range(sview.ColumnCount):
# this = sview.Columns[col]
# align = wx.ALIGN_LEFT if col == 0 else wx.ALIGN_RIGHT
# this.Sortable = False
# this.Alignment = this.Renderer.Alignment = align
# sview.SetMinSize((275, 250))
wids['status'] = SimpleText(panel, ' ')
rfont = self.GetFont()
rfont.SetPointSize(rfont.GetPointSize() + 1)
wids['fit_chi2'] = SimpleText(panel, '0.000', font=rfont)
wids['fit_dscale'] = SimpleText(panel, '1.000', font=rfont)
panel.Add(SimpleText(panel, ' Principal Component Analysis',
**self.titleopts),
dcol=4)
add_text('Array to Use: ', newrow=True)
panel.Add(wids['fitspace'], dcol=2)
panel.Add(wids['load_model'], dcol=2)
add_text('Plot : ', newrow=True)
panel.Add(wids['plotchoice'], dcol=2)
panel.Add(wids['save_model'], dcol=2)
add_text('Fit Energy Range: ')
panel.Add(w_xmin)
add_text(' : ', newrow=False)
panel.Add(w_xmax)
#panel.Add(wids['show_fitrange'])
add_text('Min Weight: ')
panel.Add(w_wmin)
panel.Add(wids['weight_auto'])
add_text('Max Components:', dcol=1, newrow=True)
panel.Add(w_mcomps)
panel.Add(Button(panel,
'Copy To Selected Groups',
size=(200, -1),
action=partial(self.onCopyParam, 'pca')),
dcol=2)
add_text('Status: ')
panel.Add(wids['status'], dcol=3)
panel.Add(HLine(panel, size=(550, 2)), dcol=5, newrow=True)
panel.Add(b_build_model, dcol=5, newrow=True)
panel.Add(wids['table'], dcol=5, newrow=True)
panel.Add(wids['fit_group'], dcol=3, newrow=True)
add_text('chi-square: ')
panel.Add(wids['fit_chi2'])
add_text('scale factor: ')
panel.Add(wids['fit_dscale'])
#
# ## add weights report: slightly tricky layout
# ## working with GridBagSizer under gridpanel...
# icol = panel.icol - 2
# irow = panel.irow
# pstyle, ppad = panel.itemstyle, panel.pad
#
# panel.sizer.Add(SimpleText(panel, 'data scalefactor = '),
# (irow+1, icol), (1, 1), pstyle, ppad)
# panel.sizer.Add(wids['fit_dscale'],
# (irow+1, icol+1), (1, 1), pstyle, ppad)
# irow +=1
# for i in range(1, NWTS+1):
# wids['fit_wt%d' % i] = SimpleText(panel, '--', font=rfont)
# panel.sizer.Add(SimpleText(panel, 'weight_%d ='%i, font=rfont),
# (irow+i, icol), (1, 1), pstyle, ppad)
# panel.sizer.Add(wids['fit_wt%d'%i],
# (irow+i, icol+1), (1, 1), pstyle, ppad)
#
panel.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add((10, 10), 0, LCEN, 3)
sizer.Add(panel, 1, LCEN, 3)
pack(self, sizer)
self.skip_process = False
def build_display(self):
panel = self.panel
self.wids = {}
self.plotone_op = Choice(panel,
choices=list(PlotOne_Choices.keys()),
action=self.onPlotOne,
size=(225, -1))
self.plotsel_op = Choice(panel,
choices=list(PlotSel_Choices.keys()),
action=self.onPlotSel,
size=(225, -1))
self.plotone_op.SetSelection(1)
self.plotsel_op.SetSelection(1)
plot_one = Button(panel,
'Plot This Group',
size=(175, -1),
action=self.onPlotOne)
plot_sel = Button(panel,
'Plot Selected Groups',
size=(175, -1),
action=self.onPlotSel)
e0panel = wx.Panel(panel)
self.wids['auto_e0'] = Check(e0panel,
default=True,
label='auto?',
action=self.onSet_XASE0)
self.wids['showe0'] = Check(e0panel,
default=True,
label='show?',
action=self.onSet_XASE0)
sx = wx.BoxSizer(wx.HORIZONTAL)
sx.Add(self.wids['auto_e0'], 0, LCEN, 4)
sx.Add(self.wids['showe0'], 0, LCEN, 4)
pack(e0panel, sx)
self.wids['auto_step'] = Check(panel,
default=True,
label='auto?',
action=self.onNormMethod)
self.wids['nvict'] = Choice(panel,
choices=('0', '1', '2', '3'),
size=(60, -1),
action=self.onNormMethod,
default=0)
self.wids['nnorm'] = Choice(panel,
choices=('constant', 'linear', 'quadratic',
'cubic'),
size=(100, -1),
action=self.onNormMethod,
default=1)
opts = {
'size': (100, -1),
'digits': 2,
'increment': 5.0,
'action': self.onSet_Ranges
}
xas_pre1 = self.add_floatspin('pre1', value=defaults['pre1'], **opts)
xas_pre2 = self.add_floatspin('pre2', value=defaults['pre2'], **opts)
xas_norm1 = self.add_floatspin('norm1',
value=defaults['norm1'],
**opts)
xas_norm2 = self.add_floatspin('norm2',
value=defaults['norm2'],
**opts)
opts = {'digits': 3, 'increment': 0.1, 'value': 0}
plot_voff = self.add_floatspin('plot_voff',
with_pin=False,
action=self.onVoffset,
**opts)
xas_e0 = self.add_floatspin('e0', action=self.onSet_XASE0Val, **opts)
xas_step = self.add_floatspin('step',
action=self.onSet_XASStep,
with_pin=False,
**opts)
self.wids['norm_method'] = Choice(
panel,
choices=('polynomial', 'mback'), # , 'area'),
size=(120, -1),
action=self.onNormMethod)
self.wids['norm_method'].SetSelection(0)
atsyms = ['?'] + self.larch.symtable._xray._xraydb.atomic_symbols
edges = ('K', 'L3', 'L2', 'L1', 'M5')
self.wids['atsym'] = Choice(panel, choices=atsyms, size=(75, -1))
self.wids['edge'] = Choice(panel, choices=edges, size=(60, -1))
self.wids['is_frozen'] = Check(panel,
default=False,
label='Freeze Group',
action=self.onFreezeGroup)
saveconf = Button(panel,
'Save as Default Settings',
size=(200, -1),
action=self.onSaveConfigBtn)
def CopyBtn(name):
return Button(panel,
'Copy',
size=(60, -1),
action=partial(self.onCopyParam, name))
add_text = self.add_text
HLINEWID = 600
panel.Add(SimpleText(panel,
' XAS Pre-edge subtraction and Normalization',
**self.titleopts),
dcol=7)
panel.Add(plot_sel, newrow=True)
panel.Add(self.plotsel_op, dcol=3)
panel.Add(SimpleText(panel, ' Vertical offset:'), style=RCEN)
panel.Add(plot_voff, style=RCEN)
panel.Add((5, 5), dcol=3, newrow=True)
panel.Add(SimpleText(panel, 'Copy to Selected Groups:'),
style=RCEN,
dcol=3)
panel.Add(plot_one, newrow=True)
panel.Add(self.plotone_op, dcol=4)
panel.Add(CopyBtn('plotone_op'), dcol=1, style=RCEN)
panel.Add((5, 5), newrow=True)
panel.Add(HLine(panel, size=(HLINEWID, 3)), dcol=6, newrow=True)
add_text('Element and Edge: ', newrow=True)
panel.Add(self.wids['atsym'])
panel.Add(self.wids['edge'], dcol=3)
panel.Add(CopyBtn('atsym'), dcol=1, style=RCEN)
add_text('E0 : ')
panel.Add(xas_e0)
panel.Add(e0panel, dcol=3)
panel.Add(CopyBtn('xas_e0'), dcol=1, style=RCEN)
add_text('Edge Step: ')
panel.Add(xas_step)
panel.Add(self.wids['auto_step'], dcol=2)
panel.Add(CopyBtn('xas_step'), dcol=2, style=RCEN)
panel.Add((5, 5), newrow=True)
panel.Add(HLine(panel, size=(HLINEWID, 3)), dcol=6, newrow=True)
add_text('Pre-edge range: ')
panel.Add(xas_pre1)
add_text(' : ', newrow=False)
panel.Add(xas_pre2, dcol=2)
panel.Add(CopyBtn('xas_pre'), dcol=1, style=RCEN)
panel.Add(SimpleText(panel, 'Victoreen order:'), newrow=True)
panel.Add(self.wids['nvict'], dcol=3)
panel.Add((5, 5), newrow=True)
panel.Add(HLine(panel, size=(HLINEWID, 3)), dcol=6, newrow=True)
add_text('Normalization method: ')
panel.Add(self.wids['norm_method'], dcol=4)
panel.Add(CopyBtn('xas_norm'), dcol=1, style=RCEN)
add_text('Normalization range: ')
panel.Add(xas_norm1)
add_text(' : ', newrow=False)
panel.Add(xas_norm2, dcol=2)
panel.Add(SimpleText(panel, 'Polynomial Type:'), newrow=True)
panel.Add(self.wids['nnorm'], dcol=2)
panel.Add(HLine(panel, size=(HLINEWID, 3)), dcol=6, newrow=True)
panel.Add((5, 5), newrow=True)
panel.Add(self.wids['is_frozen'], newrow=True)
panel.Add(saveconf, dcol=4)
panel.Add((5, 5), newrow=True)
panel.Add(HLine(panel, size=(HLINEWID, 3)), dcol=6, newrow=True)
panel.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add((5, 5), 0, LCEN, 3)
sizer.Add(panel, 0, LCEN, 3)
sizer.Add((5, 5), 0, LCEN, 3)
pack(self, sizer)
def build_display(self):
panel = self.panel
wids = self.wids
self.skip_process = True
wids['fitspace'] = Choice(panel,
choices=FitSpace_Choices,
size=(250, -1))
wids['fitspace'].SetStringSelection(norm)
# wids['plotchoice'] = Choice(panel, choices=Plot_Choices,
# size=(250, -1), action=self.onPlot)
wids['method'] = Choice(panel,
choices=Regress_Choices,
size=(250, -1),
action=self.onRegressMethod)
add_text = self.add_text
opts = dict(digits=2, increment=1.0)
w_xmin = self.add_floatspin('xmin', value=defaults['xmin'], **opts)
w_xmax = self.add_floatspin('xmax', value=defaults['xmax'], **opts)
wids['alpha'] = NumericCombo(panel,
make_steps(),
fmt='%.6g',
default_val=0.01,
width=100)
wids['auto_scale_pls'] = Check(panel,
default=True,
label='auto scale?')
wids['auto_alpha'] = Check(panel, default=False, label='auto alpha?')
wids['fit_intercept'] = Check(panel,
default=True,
label='fit intercept?')
wids['save_csv'] = Button(panel,
'Save CSV File',
size=(150, -1),
action=self.onSaveCSV)
wids['load_csv'] = Button(panel,
'Load CSV File',
size=(150, -1),
action=self.onLoadCSV)
wids['save_model'] = Button(panel,
'Save Model',
size=(150, -1),
action=self.onSaveModel)
wids['save_model'].Disable()
wids['load_model'] = Button(panel,
'Load Model',
size=(150, -1),
action=self.onLoadModel)
wids['train_model'] = Button(panel,
'Train Model From These Data',
size=(275, -1),
action=self.onTrainModel)
wids['fit_group'] = Button(panel,
'Predict Variable for Selected Groups',
size=(275, -1),
action=self.onPredictGroups)
wids['fit_group'].Disable()
w_cvfolds = self.add_floatspin('cv_folds',
digits=0,
with_pin=False,
value=0,
increment=1,
min_val=-1)
w_cvreps = self.add_floatspin('cv_repeats',
digits=0,
with_pin=False,
value=0,
increment=1,
min_val=-1)
w_ncomps = self.add_floatspin('ncomps',
digits=0,
with_pin=False,
value=3,
increment=1,
min_val=1)
wids['varname'] = wx.TextCtrl(panel, -1, 'valence', size=(150, -1))
wids['stat1'] = SimpleText(panel, ' - - - ')
wids['stat2'] = SimpleText(panel, ' - - - ')
collabels = [' File /Group Name ', 'External Value', 'Predicted Value']
colsizes = [300, 120, 120]
coltypes = ['str', 'float:12,4', 'float:12,4']
coldefs = ['', 0.0, 0.0]
wids['table'] = DataTableGrid(panel,
nrows=MAX_ROWS,
collabels=collabels,
datatypes=coltypes,
defaults=coldefs,
colsizes=colsizes)
wids['table'].SetMinSize((625, 175))
wids['use_selected'] = Button(panel,
'Use Selected Groups',
size=(150, -1),
action=self.onFillTable)
panel.Add(SimpleText(panel, 'Feature Regression, Model Selection',
**self.titleopts),
dcol=4)
add_text('Array to Use: ', newrow=True)
panel.Add(wids['fitspace'], dcol=4)
# add_text('Plot : ', newrow=True)
# panel.Add(wids['plotchoice'], dcol=3)
add_text('Fit Energy Range: ')
panel.Add(w_xmin)
add_text(' : ', newrow=False)
panel.Add(w_xmax, dcol=3)
add_text('Regression Method:')
panel.Add(wids['method'], dcol=4)
add_text('PLS # components: ')
panel.Add(w_ncomps)
panel.Add(wids['auto_scale_pls'], dcol=2)
add_text('Lasso Alpha: ')
panel.Add(wids['alpha'])
panel.Add(wids['auto_alpha'], dcol=2)
panel.Add(wids['fit_intercept'])
wids['alpha'].Disable()
wids['auto_alpha'].Disable()
wids['fit_intercept'].Disable()
add_text('Cross Validation: ')
add_text(' # folds, # repeats: ', newrow=False)
panel.Add(w_cvfolds, dcol=2)
panel.Add(w_cvreps)
panel.Add(HLine(panel, size=(600, 2)), dcol=6, newrow=True)
add_text('Build Model: ', newrow=True)
panel.Add(wids['use_selected'], dcol=2)
add_text('Attribute Name: ', newrow=False)
panel.Add(wids['varname'], dcol=4)
add_text('Read/Save Data: ', newrow=True)
panel.Add(wids['load_csv'], dcol=3)
panel.Add(wids['save_csv'], dcol=2)
panel.Add(wids['table'], newrow=True, dcol=5) # , drow=3)
panel.Add(HLine(panel, size=(550, 2)), dcol=5, newrow=True)
panel.Add((5, 5), newrow=True)
add_text('Train Model : ')
panel.Add(wids['train_model'], dcol=3)
panel.Add(wids['load_model'])
add_text('Use This Model : ')
panel.Add(wids['fit_group'], dcol=3)
panel.Add(wids['save_model'])
add_text('Fit Statistics : ')
panel.Add(wids['stat1'], dcol=4)
panel.Add((5, 5), newrow=True)
panel.Add(wids['stat2'], dcol=4)
panel.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add((10, 10), 0, LEFT, 3)
sizer.Add(panel, 1, LEFT, 3)
pack(self, sizer)
self.skip_process = False
def Btn(msg, x, act):
b = Button(ltop, msg, size=(x, 30), action=act)
b.SetFont(Font(FONTSIZE))
return b
def build(self):
sizer = wx.GridBagSizer(5, 5)
sizer.SetVGap(5)
sizer.SetHGap(5)
splitter = wx.SplitterWindow(self, style=wx.SP_LIVE_UPDATE)
splitter.SetMinimumPaneSize(200)
self.datalistbox = EditableListBox(splitter,
self.ShowDataSet,
size=(250, -1))
panel = scrolled.ScrolledPanel(splitter)
self.SetMinSize((650, 600))
self.colors = GUIColors()
# title row
self.wids = wids = {}
title = SimpleText(panel,
'Linear Combination Results',
font=Font(FONTSIZE + 2),
colour=self.colors.title,
style=LEFT)
wids['plot_one'] = Button(panel,
'Plot This Fit',
size=(125, -1),
action=self.onPlotOne)
wids['plot_sel'] = Button(panel,
'Plot N Best Fits',
size=(125, -1),
action=self.onPlotSel)
wids['plot_ntitle'] = SimpleText(panel, 'N fits to plot: ')
wids['plot_nchoice'] = Choice(panel,
size=(60, -1),
choices=['%d' % i for i in range(1, 21)])
wids['plot_nchoice'].SetStringSelection('5')
wids['data_title'] = SimpleText(panel,
'<--> ',
font=Font(FONTSIZE + 2),
colour=self.colors.title,
style=LEFT)
wids['nfits_title'] = SimpleText(panel, 'showing 5 best fits')
copts = dict(size=(125, 30), default=True, action=self.onPlotOne)
# wids['show_e0'] = Check(panel, label='show E0?', **copts)
wids['show_fitrange'] = Check(panel, label='show fit range?', **copts)
irow = 0
sizer.Add(title, (irow, 0), (1, 1), LEFT)
sizer.Add(wids['data_title'], (irow, 1), (1, 2), LEFT)
irow += 1
sizer.Add(wids['nfits_title'], (irow, 0), (1, 1), LEFT)
irow += 1
self.wids['paramstitle'] = SimpleText(panel,
'[[Parameters]]',
font=Font(FONTSIZE + 2),
colour=self.colors.title,
style=LEFT)
sizer.Add(self.wids['paramstitle'], (irow, 0), (1, 1), LEFT)
pview = self.wids['params'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
pview.SetMinSize((475, 200))
pview.AppendTextColumn(' Parameter ', width=230)
pview.AppendTextColumn(' Best-Fit Value', width=120)
pview.AppendTextColumn(' Standard Error ', width=120)
for col in range(3):
this = pview.Columns[col]
isort, align = True, wx.ALIGN_RIGHT
if col == 0:
align = wx.ALIGN_LEFT
this.Sortable = isort
this.Alignment = this.Renderer.Alignment = align
irow += 1
sizer.Add(self.wids['params'], (irow, 0), (4, 1), LEFT)
sizer.Add(self.wids['plot_one'], (irow, 1), (1, 2), LEFT)
sizer.Add(self.wids['plot_sel'], (irow + 1, 1), (1, 2), LEFT)
sizer.Add(self.wids['plot_ntitle'], (irow + 2, 1), (1, 1), LEFT)
sizer.Add(self.wids['plot_nchoice'], (irow + 2, 2), (1, 1), LEFT)
# sizer.Add(self.wids['show_e0'], (irow+3, 1), (1, 2), LEFT)
sizer.Add(self.wids['show_fitrange'], (irow + 3, 1), (1, 2), LEFT)
irow += 4
sizer.Add(HLine(panel, size=(675, 3)), (irow, 0), (1, 4), LEFT)
sview = self.wids['stats'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
sview.Bind(dv.EVT_DATAVIEW_SELECTION_CHANGED, self.onSelectFitStat)
sview.AppendTextColumn(' Fit #', width=50)
sview.AppendTextColumn(' N_vary', width=50)
sview.AppendTextColumn(' N_eval', width=60)
sview.AppendTextColumn(' \u03c7\u00B2', width=110)
sview.AppendTextColumn(' \u03c7\u00B2_reduced', width=110)
sview.AppendTextColumn(' Akaike Info', width=110)
sview.AppendTextColumn(' Bayesian Info', width=110)
for col in range(sview.ColumnCount):
this = sview.Columns[col]
isort, align = True, wx.ALIGN_RIGHT
if col == 0:
align = wx.ALIGN_CENTER
this.Sortable = isort
this.Alignment = this.Renderer.Alignment = align
sview.SetMinSize((675, 175))
irow += 1
title = SimpleText(panel,
'[[Fit Statistics]]',
font=Font(FONTSIZE + 2),
colour=self.colors.title,
style=LEFT)
sizer.Add(title, (irow, 0), (1, 4), LEFT)
irow += 1
sizer.Add(sview, (irow, 0), (1, 4), LEFT)
irow += 1
sizer.Add(HLine(panel, size=(675, 3)), (irow, 0), (1, 4), LEFT)
irow += 1
title = SimpleText(panel,
'[[Weights]]',
font=Font(FONTSIZE + 2),
colour=self.colors.title,
style=LEFT)
sizer.Add(title, (irow, 0), (1, 4), LEFT)
self.wids['weightspanel'] = ppan = wx.Panel(panel)
p1 = SimpleText(ppan, ' < Weights > ')
os = wx.BoxSizer(wx.VERTICAL)
os.Add(p1, 1, 3)
pack(ppan, os)
ppan.SetMinSize((675, 175))
irow += 1
sizer.Add(ppan, (irow, 0), (1, 4), LEFT)
irow += 1
sizer.Add(HLine(panel, size=(675, 3)), (irow, 0), (1, 4), LEFT)
pack(panel, sizer)
panel.SetupScrolling()
splitter.SplitVertically(self.datalistbox, panel, 1)
mainsizer = wx.BoxSizer(wx.VERTICAL)
mainsizer.Add(splitter, 1, wx.GROW | wx.ALL, 5)
pack(self, mainsizer)
# self.SetSize((725, 750))
self.Show()
self.Raise()
def build_display(self):
panel = self.panel
wids = self.wids
self.skip_process = True
wids['fitspace'] = Choice(panel,
choices=FitSpace_Choices,
size=(175, -1))
wids['fitspace'].SetStringSelection(norm)
add_text = self.add_text
opts = dict(digits=2, increment=1.0, relative_e0=False) # True)
elo_wids = self.add_floatspin('elo', value=defaults['elo'], **opts)
ehi_wids = self.add_floatspin('ehi', value=defaults['ehi'], **opts)
wids['fit_group'] = Button(panel,
'Fit this Group',
size=(175, -1),
action=self.onFitOne)
wids['fit_selected'] = Button(panel,
'Fit Selected Groups',
size=(175, -1),
action=self.onFitAll)
wids['add_selected'] = Button(panel,
'Use Selected Groups as Components',
size=(300, -1),
action=self.onUseSelected)
wids['saveconf'] = Button(panel,
'Save as Default Settings',
size=(225, -1),
action=self.onSaveConfigBtn)
opts = dict(default=True, size=(75, -1), action=self.onPlotOne)
wids['show_fitrange'] = Check(panel, label='show?', **opts)
wids['sum_to_one'] = Check(panel,
label='Weights Must Sum to 1?',
default=True)
wids['all_combos'] = Check(panel,
label='Fit All Combinations?',
default=True)
max_ncomps = self.add_floatspin('max_ncomps',
value=10,
digits=0,
increment=1,
min_val=0,
max_val=20,
size=(60, -1),
with_pin=False)
panel.Add(SimpleText(panel, ' Linear Combination Analysis',
**self.titleopts),
dcol=4)
add_text('Array to Fit: ', newrow=True)
panel.Add(wids['fitspace'], dcol=3)
add_text('Fit Energy Range: ')
panel.Add(elo_wids)
add_text(' : ', newrow=False)
panel.Add(ehi_wids)
panel.Add(wids['show_fitrange'])
panel.Add(HLine(panel, size=(625, 3)), dcol=5, newrow=True)
add_text('Run Fit: ')
panel.Add(wids['fit_group'], dcol=2)
panel.Add(wids['fit_selected'], dcol=3)
add_text('Fit Options: ')
panel.Add(wids['sum_to_one'], dcol=2)
panel.Add((10, 10), dcol=1, newrow=True)
panel.Add(wids['all_combos'], dcol=2)
add_text('Max # Components: ', newrow=False)
panel.Add(max_ncomps, dcol=2)
panel.Add(HLine(panel, size=(625, 3)), dcol=5, newrow=True)
add_text('Components: ')
panel.Add(wids['add_selected'], dcol=4)
collabels = [' File /Group Name ', 'weight', 'min', 'max']
colsizes = [300, 80, 80, 80]
coltypes = ['str', 'float:12,4', 'float:12,4', 'float:12,4']
coldefs = ['', 1.0 / MAX_COMPONENTS, 0.0, 1.0]
wids['table'] = DataTableGrid(panel,
nrows=MAX_COMPONENTS,
collabels=collabels,
datatypes=coltypes,
defaults=coldefs,
colsizes=colsizes)
wids['table'].SetMinSize((625, 250))
panel.Add(wids['table'], newrow=True, dcol=6)
panel.Add(HLine(panel, size=(625, 3)), dcol=5, newrow=True)
panel.Add(wids['saveconf'], dcol=4, newrow=True)
panel.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add((10, 10), 0, LEFT, 3)
sizer.Add(panel, 1, LEFT, 3)
pack(self, sizer)
self.skip_process = False
def build_display(self):
titleopts = dict(font=Font(12), colour='#AA0000')
panel = self.panel
wids = self.wids
self.skip_process = True
wids['fitspace'] = Choice(panel,
choices=FitSpace_Choices,
size=(175, -1))
wids['fitspace'].SetStringSelection(norm)
wids['plotchoice'] = Choice(panel,
choices=Plot_Choices,
size=(175, -1),
action=self.onPlot)
wids['plotchoice'].SetSelection(1)
add_text = self.add_text
opts = dict(digits=2, increment=1.0, relative_e0=True)
e0_wids = self.add_floatspin('e0', value=0, **opts)
elo_wids = self.add_floatspin('elo', value=-20, **opts)
ehi_wids = self.add_floatspin('ehi', value=30, **opts)
wids['fit_group'] = Button(panel,
'Fit this Group',
size=(150, -1),
action=self.onFitOne)
wids['fit_selected'] = Button(panel,
'Fit Selected Groups',
size=(150, -1),
action=self.onFitAll)
wids['add_selected'] = Button(panel,
'Use Selected Groups as Components',
size=(250, -1),
action=self.onUseSelected)
wids['saveconf'] = Button(panel,
'Save as Default Settings',
size=(200, -1),
action=self.onSaveConfigBtn)
opts = dict(default=True, size=(75, -1), action=self.onPlotOne)
wids['show_e0'] = Check(panel, label='show?', **opts)
wids['show_fitrange'] = Check(panel, label='show?', **opts)
wids['sum_to_one'] = Check(panel,
label='Weights Must Sum to 1?',
default=True)
wids['all_combos'] = Check(panel,
label='Fit All Combinations?',
default=True)
panel.Add(SimpleText(panel, ' Linear Combination Analysis',
**titleopts),
dcol=5)
add_text('Run Fit', newrow=False)
add_text('Array to Fit: ', newrow=True)
panel.Add(wids['fitspace'], dcol=4)
panel.Add(wids['fit_group'])
add_text('Plot : ', newrow=True)
panel.Add(wids['plotchoice'], dcol=4)
panel.Add(wids['fit_selected'])
add_text('E0: ')
panel.Add(e0_wids, dcol=3)
panel.Add(wids['show_e0'])
add_text('Fit Energy Range: ')
panel.Add(elo_wids)
add_text(' : ', newrow=False)
panel.Add(ehi_wids)
panel.Add(wids['show_fitrange'])
panel.Add(wids['sum_to_one'], dcol=2, newrow=True)
panel.Add(wids['all_combos'], dcol=3)
panel.Add(HLine(panel, size=(400, 2)), dcol=5, newrow=True)
add_text('Components: ')
panel.Add(wids['add_selected'], dcol=4)
groupnames = [noname] + list(self.controller.file_groups.keys())
sgrid = GridPanel(panel, nrows=6)
sgrid.Add(SimpleText(sgrid, "#"))
sgrid.Add(SimpleText(sgrid, "Group"))
sgrid.Add(SimpleText(sgrid, "Weight"))
sgrid.Add(SimpleText(sgrid, "Min Weight"))
sgrid.Add(SimpleText(sgrid, "Max Weight"))
fopts = dict(minval=-10, maxval=20, precision=4, size=(60, -1))
for i in range(1, 1 + MAX_COMPONENTS):
si = ("comp", "_%2.2d" % i)
sgrid.Add(SimpleText(sgrid, "%2i" % i), newrow=True)
wids['%schoice%s' % si] = Choice(sgrid,
choices=groupnames,
size=(200, -1),
action=partial(self.onComponent,
comp=i))
wids['%sval%s' % si] = FloatCtrl(sgrid, value=0, **fopts)
wids['%smin%s' % si] = FloatCtrl(sgrid, value=0, **fopts)
wids['%smax%s' % si] = FloatCtrl(sgrid, value=1, **fopts)
for cname in ('choice', 'val', 'min', 'max'):
sgrid.Add(wids[("%%s%s%%s" % cname) % si])
sgrid.pack()
panel.Add(sgrid, dcol=5, newrow=True)
panel.Add(HLine(panel, size=(400, 2)), dcol=5, newrow=True)
panel.Add(wids['saveconf'], dcol=4, newrow=True)
panel.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add(panel, 1, LCEN, 3)
pack(self, sizer)
self.skip_process = False
def build(self):
sizer = wx.GridBagSizer(10, 5)
sizer.SetVGap(5)
sizer.SetHGap(5)
panel = scrolled.ScrolledPanel(self)
self.SetMinSize((675, 600))
self.colors = GUIColors()
# title row
self.wids = wids = {}
title = SimpleText(panel,
'Linear Combination Results',
font=Font(12),
colour=self.colors.title,
style=LCEN)
wids['plot_one'] = Button(panel,
'Plot This Fit',
size=(150, -1),
action=self.onPlotOne)
wids['plot_sel'] = Button(panel,
'Plot top N Fits',
size=(150, -1),
action=self.onPlotSel)
wids['plot_ntitle'] = SimpleText(panel, 'N fits to plot: ')
wids['plot_nchoice'] = Choice(panel,
size=(100, -1),
choices=['%d' % i for i in range(1, 21)])
wids['plot_nchoice'].SetStringSelection('5')
wids['data_title'] = SimpleText(panel,
'<--> ',
font=Font(12),
colour=self.colors.title,
style=LCEN)
wids['nfits_title'] = SimpleText(panel, 'showing top 5 fits')
irow = 0
sizer.Add(title, (irow, 0), (1, 2), LCEN)
sizer.Add(wids['data_title'], (irow, 2), (1, 2), LCEN)
irow += 1
sizer.Add(wids['nfits_title'], (irow, 0), (1, 4), LCEN)
irow += 1
sizer.Add(self.wids['plot_one'], (irow, 0), (1, 1), LCEN)
sizer.Add(self.wids['plot_sel'], (irow, 1), (1, 1), LCEN)
sizer.Add(self.wids['plot_ntitle'], (irow, 2), (1, 1), LCEN)
sizer.Add(self.wids['plot_nchoice'], (irow, 3), (1, 1), LCEN)
irow += 1
self.wids['paramstitle'] = SimpleText(panel,
'[[Parameters]]',
font=Font(12),
colour=self.colors.title,
style=LCEN)
sizer.Add(self.wids['paramstitle'], (irow, 0), (1, 4), LCEN)
pview = self.wids['params'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
pview.SetMinSize((675, 200))
pview.AppendTextColumn(' Parameter ', width=250)
pview.AppendTextColumn(' Best-Fit Value', width=150)
pview.AppendTextColumn(' Uncertainty ', width=150)
for col in range(3):
this = pview.Columns[col]
isort, align = True, wx.ALIGN_RIGHT
if col == 0:
align = wx.ALIGN_LEFT
this.Sortable = isort
this.Alignment = this.Renderer.Alignment = align
irow += 1
sizer.Add(self.wids['params'], (irow, 0), (1, 4), LCEN)
irow += 1
sizer.Add(HLine(panel, size=(675, 3)), (irow, 0), (1, 4), LCEN)
sview = self.wids['stats'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
sview.Bind(dv.EVT_DATAVIEW_SELECTION_CHANGED, self.onSelectFitStat)
sview.AppendTextColumn(' Fit #', width=50)
sview.AppendTextColumn(' N_Vary', width=60)
sview.AppendTextColumn(' N_Data', width=60)
sview.AppendTextColumn(' N_eval', width=60)
sview.AppendTextColumn(u' \u03c7\u00B2', width=100)
sview.AppendTextColumn(u' \u03c7\u00B2_reduced', width=100)
sview.AppendTextColumn(' Akaike Info', width=100)
sview.AppendTextColumn(' Bayesian Info', width=100)
for col in range(8):
this = sview.Columns[col]
isort, align = True, wx.ALIGN_RIGHT
if col == 0:
align = wx.ALIGN_CENTER
this.Sortable = isort
this.Alignment = this.Renderer.Alignment = align
sview.SetMinSize((675, 175))
irow += 1
title = SimpleText(panel,
'[[Fit Statistics]]',
font=Font(12),
colour=self.colors.title,
style=LCEN)
sizer.Add(title, (irow, 0), (1, 4), LCEN)
irow += 1
sizer.Add(sview, (irow, 0), (1, 4), LCEN)
irow += 1
sizer.Add(HLine(panel, size=(675, 3)), (irow, 0), (1, 4), LCEN)
irow += 1
title = SimpleText(panel,
'[[Weights]]',
font=Font(12),
colour=self.colors.title,
style=LCEN)
sizer.Add(title, (irow, 0), (1, 4), LCEN)
self.wids['weightspanel'] = ppan = wx.Panel(self)
p1 = SimpleText(ppan, ' < Weights > ')
os = wx.BoxSizer(wx.VERTICAL)
os.Add(p1, 1, 3)
pack(ppan, os)
ppan.SetMinSize((675, 175))
irow += 1
sizer.Add(ppan, (irow, 0), (1, 4), LCEN)
irow += 1
sizer.Add(HLine(panel, size=(675, 3)), (irow, 0), (1, 4), LCEN)
pack(panel, sizer)
panel.SetupScrolling()
mainsizer = wx.BoxSizer(wx.VERTICAL)
mainsizer.Add(panel, 1, wx.GROW | wx.ALL, 1)
pack(self, mainsizer)
self.Show()
self.Raise()
def addModel(self, event=None, model=None, prefix=None, isbkg=False):
if model is None and event is not None:
model = event.GetString()
if model is None or model.startswith('<'):
return
self.models_peaks.SetSelection(0)
self.models_other.SetSelection(0)
if prefix is None:
p = model[:5].lower()
curmodels = ["%s%i_" % (p, i+1) for i in range(1+len(self.fit_components))]
for comp in self.fit_components:
if comp in curmodels:
curmodels.remove(comp)
prefix = curmodels[0]
label = "%s(prefix='%s')" % (model, prefix)
title = "%s: %s " % (prefix[:-1], model)
title = prefix[:-1]
mclass_kws = {'prefix': prefix}
if 'step' in model.lower():
form = model.lower().replace('step', '').strip()
if form.startswith('err'):
form = 'erf'
label = "Step(form='%s', prefix='%s')" % (form, prefix)
title = "%s: Step %s" % (prefix[:-1], form[:3])
mclass = lm_models.StepModel
mclass_kws['form'] = form
minst = mclass(form=form, prefix=prefix)
else:
if model in ModelFuncs:
mclass = getattr(lm_models, ModelFuncs[model])
else:
mclass = getattr(lm_models, model+'Model')
minst = mclass(prefix=prefix)
panel = GridPanel(self.mod_nb, ncols=2, nrows=5, pad=1, itemstyle=CEN)
def SLabel(label, size=(80, -1), **kws):
return SimpleText(panel, label,
size=size, style=wx.ALIGN_LEFT, **kws)
usebox = Check(panel, default=True, label='Use in Fit?', size=(100, -1))
bkgbox = Check(panel, default=False, label='Is Baseline?', size=(125, -1))
if isbkg:
bkgbox.SetValue(1)
delbtn = Button(panel, 'Delete This Component', size=(200, -1),
action=partial(self.onDeleteComponent, prefix=prefix))
pick2msg = SimpleText(panel, " ", size=(125, -1))
pick2btn = Button(panel, 'Pick Values from Plotted Data', size=(200, -1),
action=partial(self.onPick2Points, prefix=prefix))
# SetTip(mname, 'Label for the model component')
SetTip(usebox, 'Use this component in fit?')
SetTip(bkgbox, 'Label this component as "background" when plotting?')
SetTip(delbtn, 'Delete this model component')
SetTip(pick2btn, 'Select X range on Plot to Guess Initial Values')
panel.Add(SLabel(label, size=(275, -1), colour='#0000AA'),
dcol=4, style=wx.ALIGN_LEFT, newrow=True)
panel.Add(usebox, dcol=2)
panel.Add(bkgbox, dcol=1, style=RIGHT)
panel.Add(pick2btn, dcol=2, style=wx.ALIGN_LEFT, newrow=True)
panel.Add(pick2msg, dcol=3, style=wx.ALIGN_RIGHT)
panel.Add(delbtn, dcol=2, style=wx.ALIGN_RIGHT)
# panel.Add(HLine(panel, size=(150, 3)), dcol=4, style=wx.ALIGN_CENTER)
panel.Add(SLabel("Parameter "), style=wx.ALIGN_LEFT, newrow=True)
panel.AddMany((SLabel(" Value"), SLabel(" Type"), SLabel(' Bounds'),
SLabel(" Min", size=(60, -1)),
SLabel(" Max", size=(60, -1)), SLabel(" Expression")))
parwids = OrderedDict()
parnames = sorted(minst.param_names)
for a in minst._func_allargs:
pname = "%s%s" % (prefix, a)
if (pname not in parnames and
a in minst.param_hints and
a not in minst.independent_vars):
parnames.append(pname)
for pname in parnames:
sname = pname[len(prefix):]
hints = minst.param_hints.get(sname, {})
par = Parameter(name=pname, value=0, vary=True)
if 'min' in hints:
par.min = hints['min']
if 'max' in hints:
par.max = hints['max']
if 'value' in hints:
par.value = hints['value']
if 'expr' in hints:
par.expr = hints['expr']
pwids = ParameterWidgets(panel, par, name_size=100, expr_size=150,
float_size=80, prefix=prefix,
widgets=('name', 'value', 'minval',
'maxval', 'vary', 'expr'))
parwids[par.name] = pwids
panel.Add(pwids.name, newrow=True)
panel.AddMany((pwids.value, pwids.vary, pwids.bounds,
pwids.minval, pwids.maxval, pwids.expr))
for sname, hint in minst.param_hints.items():
pname = "%s%s" % (prefix, sname)
if 'expr' in hint and pname not in parnames:
par = Parameter(name=pname, value=0, expr=hint['expr'])
pwids = ParameterWidgets(panel, par, name_size=100, expr_size=400,
float_size=80, prefix=prefix,
widgets=('name', 'value', 'expr'))
parwids[par.name] = pwids
panel.Add(pwids.name, newrow=True)
panel.Add(pwids.value)
panel.Add(pwids.expr, dcol=5, style=wx.ALIGN_RIGHT)
pwids.value.Disable()
fgroup = Group(prefix=prefix, title=title, mclass=mclass,
mclass_kws=mclass_kws, usebox=usebox, panel=panel,
parwids=parwids, float_size=65, expr_size=150,
pick2_msg=pick2msg, bkgbox=bkgbox)
self.fit_components[prefix] = fgroup
panel.pack()
self.mod_nb.AddPage(panel, title, True)
sx,sy = self.GetSize()
self.SetSize((sx, sy+1))
self.SetSize((sx, sy))
self.fitmodel_btn.Enable()
def build_display(self):
self.mod_nb = flatnotebook(self, {})
pan = self.panel = GridPanel(self, ncols=4, nrows=4, pad=2, itemstyle=LEFT)
self.wids = {}
fsopts = dict(digits=2, increment=0.1, with_pin=True)
ppeak_e0 = self.add_floatspin('ppeak_e0', value=0, **fsopts)
ppeak_elo = self.add_floatspin('ppeak_elo', value=-15, **fsopts)
ppeak_ehi = self.add_floatspin('ppeak_ehi', value=-5, **fsopts)
ppeak_emin = self.add_floatspin('ppeak_emin', value=-30, **fsopts)
ppeak_emax = self.add_floatspin('ppeak_emax', value=0, **fsopts)
self.fitbline_btn = Button(pan,'Fit Baseline', action=self.onFitBaseline,
size=(125, -1))
self.plotmodel_btn = Button(pan, 'Plot Model',
action=self.onPlotModel, size=(125, -1))
self.fitmodel_btn = Button(pan, 'Fit Model',
action=self.onFitModel, size=(125, -1))
self.loadmodel_btn = Button(pan, 'Load Model',
action=self.onLoadFitResult, size=(125, -1))
self.fitmodel_btn.Disable()
self.array_choice = Choice(pan, size=(175, -1),
choices=list(Array_Choices.keys()))
self.array_choice.SetSelection(1)
models_peaks = Choice(pan, size=(150, -1),
choices=ModelChoices['peaks'],
action=self.addModel)
models_other = Choice(pan, size=(150, -1),
choices=ModelChoices['other'],
action=self.addModel)
self.models_peaks = models_peaks
self.models_other = models_other
self.message = SimpleText(pan,
'first fit baseline, then add peaks to fit model.')
self.msg_centroid = SimpleText(pan, '----')
opts = dict(default=True, size=(75, -1), action=self.onPlot)
self.show_centroid = Check(pan, label='show?', **opts)
self.show_peakrange = Check(pan, label='show?', **opts)
self.show_fitrange = Check(pan, label='show?', **opts)
self.show_e0 = Check(pan, label='show?', **opts)
opts = dict(default=False, size=(200, -1), action=self.onPlot)
def add_text(text, dcol=1, newrow=True):
pan.Add(SimpleText(pan, text), dcol=dcol, newrow=newrow)
pan.Add(SimpleText(pan, ' Pre-edge Peak Fitting',
**self.titleopts), dcol=5)
add_text(' Run Fit:', newrow=False)
add_text('Array to fit: ')
pan.Add(self.array_choice, dcol=3)
pan.Add((10, 10))
pan.Add(self.fitbline_btn)
add_text('E0: ')
pan.Add(ppeak_e0)
pan.Add((10, 10), dcol=2)
pan.Add(self.show_e0)
pan.Add(self.plotmodel_btn)
add_text('Fit Energy Range: ')
pan.Add(ppeak_emin)
add_text(' : ', newrow=False)
pan.Add(ppeak_emax)
pan.Add(self.show_fitrange)
pan.Add(self.fitmodel_btn)
t = SimpleText(pan, 'Pre-edge Peak Range: ')
SetTip(t, 'Range used as mask for background')
pan.Add(t, newrow=True)
pan.Add(ppeak_elo)
add_text(' : ', newrow=False)
pan.Add(ppeak_ehi)
pan.Add(self.show_peakrange)
# pan.Add(self.fitsel_btn)
add_text( 'Peak Centroid: ')
pan.Add(self.msg_centroid, dcol=3)
pan.Add(self.show_centroid, dcol=1)
pan.Add(self.loadmodel_btn)
# add model
ts = wx.BoxSizer(wx.HORIZONTAL)
ts.Add(models_peaks)
ts.Add(models_other)
pan.Add(SimpleText(pan, 'Add Component: '), newrow=True)
pan.Add(ts, dcol=7)
pan.Add(SimpleText(pan, 'Messages: '), newrow=True)
pan.Add(self.message, dcol=7)
pan.pack()
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add((10, 10), 0, LEFT, 3)
sizer.Add(pan, 0, LEFT, 3)
sizer.Add((10, 10), 0, LEFT, 3)
sizer.Add(HLine(self, size=(550, 2)), 0, LEFT, 3)
sizer.Add((10, 10), 0, LEFT, 3)
sizer.Add(self.mod_nb, 1, LEFT|wx.GROW, 10)
pack(self, sizer)
def build(self):
sizer = wx.GridBagSizer(10, 5)
sizer.SetVGap(5)
sizer.SetHGap(5)
panel = scrolled.ScrolledPanel(self)
self.SetMinSize((700, 450))
self.colors = GUIColors()
# title row
self.wids = wids = {}
title = SimpleText(panel, 'Fit Results', font=Font(FONTSIZE+2),
colour=self.colors.title, style=LEFT)
wids['data_title'] = SimpleText(panel, '< > ', font=Font(FONTSIZE+2),
colour=self.colors.title, style=LEFT)
wids['hist_info'] = SimpleText(panel, ' ___ ', font=Font(FONTSIZE+2),
colour=self.colors.title, style=LEFT)
wids['hist_hint'] = SimpleText(panel, ' (Fit #01 is most recent)',
font=Font(FONTSIZE+2), colour=self.colors.title,
style=LEFT)
opts = dict(default=False, size=(200, -1), action=self.onPlot)
wids['plot_bline'] = Check(panel, label='Plot baseline-subtracted?', **opts)
wids['plot_resid'] = Check(panel, label='Plot with residual?', **opts)
self.plot_choice = Button(panel, 'Plot Selected Fit',
size=(175, -1), action=self.onPlot)
self.save_result = Button(panel, 'Save Selected Model',
size=(175, -1), action=self.onSaveFitResult)
SetTip(self.save_result, 'save model and result to be loaded later')
self.export_fit = Button(panel, 'Export Fit',
size=(175, -1), action=self.onExportFitResult)
SetTip(self.export_fit, 'save arrays and results to text file')
irow = 0
sizer.Add(title, (irow, 0), (1, 2), LEFT)
sizer.Add(wids['data_title'], (irow, 2), (1, 2), LEFT)
irow += 1
sizer.Add(wids['hist_info'], (irow, 0), (1, 2), LEFT)
sizer.Add(wids['hist_hint'], (irow, 2), (1, 2), LEFT)
irow += 1
wids['model_desc'] = SimpleText(panel, '<Model>', font=Font(FONTSIZE+1),
size=(700, 50), style=LEFT)
sizer.Add(wids['model_desc'], (irow, 0), (1, 6), LEFT)
irow += 1
sizer.Add(self.save_result, (irow, 0), (1, 1), LEFT)
sizer.Add(self.export_fit, (irow, 1), (1, 2), LEFT)
irow += 1
# sizer.Add(SimpleText(panel, 'Plot: '), (irow, 0), (1, 1), LEFT)
sizer.Add(self.plot_choice, (irow, 0), (1, 2), LEFT)
sizer.Add(wids['plot_bline'], (irow, 2), (1, 1), LEFT)
sizer.Add(wids['plot_resid'], (irow, 3), (1, 1), LEFT)
irow += 1
sizer.Add(HLine(panel, size=(650, 3)), (irow, 0), (1, 5), LEFT)
irow += 1
title = SimpleText(panel, '[[Fit Statistics]]', font=Font(FONTSIZE+2),
colour=self.colors.title, style=LEFT)
sizer.Add(title, (irow, 0), (1, 4), LEFT)
sview = self.wids['stats'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
sview.Bind(dv.EVT_DATAVIEW_SELECTION_CHANGED, self.onSelectFit)
sview.AppendTextColumn(' Fit #', width=50)
sview.AppendTextColumn(' N_data', width=50)
sview.AppendTextColumn(' N_vary', width=50)
sview.AppendTextColumn(' N_eval', width=60)
sview.AppendTextColumn(' \u03c7\u00B2', width=110)
sview.AppendTextColumn(' \u03c7\u00B2_reduced', width=110)
sview.AppendTextColumn(' Akaike Info', width=110)
sview.AppendTextColumn(' Bayesian Info', width=110)
for col in range(sview.ColumnCount):
this = sview.Columns[col]
isort, align = True, wx.ALIGN_RIGHT
if col == 0:
align = wx.ALIGN_CENTER
this.Sortable = isort
this.Alignment = this.Renderer.Alignment = align
sview.SetMinSize((700, 125))
irow += 1
sizer.Add(sview, (irow, 0), (1, 5), LEFT)
irow += 1
sizer.Add(HLine(panel, size=(650, 3)), (irow, 0), (1, 5), LEFT)
irow += 1
title = SimpleText(panel, '[[Variables]]', font=Font(FONTSIZE+2),
colour=self.colors.title, style=LEFT)
sizer.Add(title, (irow, 0), (1, 1), LEFT)
self.wids['copy_params'] = Button(panel, 'Update Model with these values',
size=(250, -1), action=self.onCopyParams)
sizer.Add(self.wids['copy_params'], (irow, 1), (1, 3), LEFT)
pview = self.wids['params'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
self.wids['paramsdata'] = []
pview.AppendTextColumn('Parameter', width=150)
pview.AppendTextColumn('Best-Fit Value', width=125)
pview.AppendTextColumn('Standard Error', width=125)
pview.AppendTextColumn('Info ', width=275)
for col in range(4):
this = pview.Columns[col]
align = wx.ALIGN_LEFT
if col in (1, 2):
align = wx.ALIGN_RIGHT
this.Sortable = False
this.Alignment = this.Renderer.Alignment = align
pview.SetMinSize((700, 200))
pview.Bind(dv.EVT_DATAVIEW_SELECTION_CHANGED, self.onSelectParameter)
irow += 1
sizer.Add(pview, (irow, 0), (1, 5), LEFT)
irow += 1
sizer.Add(HLine(panel, size=(650, 3)), (irow, 0), (1, 5), LEFT)
irow += 1
title = SimpleText(panel, '[[Correlations]]', font=Font(FONTSIZE+2),
colour=self.colors.title, style=LEFT)
self.wids['all_correl'] = Button(panel, 'Show All',
size=(100, -1), action=self.onAllCorrel)
self.wids['min_correl'] = FloatSpin(panel, value=MIN_CORREL,
min_val=0, size=(100, -1),
digits=3, increment=0.1)
ctitle = SimpleText(panel, 'minimum correlation: ')
sizer.Add(title, (irow, 0), (1, 1), LEFT)
sizer.Add(ctitle, (irow, 1), (1, 1), LEFT)
sizer.Add(self.wids['min_correl'], (irow, 2), (1, 1), LEFT)
sizer.Add(self.wids['all_correl'], (irow, 3), (1, 1), LEFT)
irow += 1
cview = self.wids['correl'] = dv.DataViewListCtrl(panel, style=DVSTYLE)
cview.AppendTextColumn('Parameter 1', width=150)
cview.AppendTextColumn('Parameter 2', width=150)
cview.AppendTextColumn('Correlation', width=150)
for col in (0, 1, 2):
this = cview.Columns[col]
this.Sortable = False
align = wx.ALIGN_LEFT
if col == 2:
align = wx.ALIGN_RIGHT
this.Alignment = this.Renderer.Alignment = align
cview.SetMinSize((475, 200))
irow += 1
sizer.Add(cview, (irow, 0), (1, 5), LEFT)
irow += 1
sizer.Add(HLine(panel, size=(400, 3)), (irow, 0), (1, 5), LEFT)
pack(panel, sizer)
panel.SetupScrolling()
mainsizer = wx.BoxSizer(wx.VERTICAL)
mainsizer.Add(panel, 1, wx.GROW|wx.ALL, 1)
pack(self, mainsizer)
self.Show()
self.Raise()