def makeToolbar(self):
"""Make bottom toolbar."""
# init toolbar panel
panel = mwx.bgrPanel(self, -1, images.lib['bgrBottombar'], size=(-1, mwx.BOTTOMBAR_HEIGHT))
self.add_butt = wx.BitmapButton(panel, -1, images.lib['documentsAdd'], size=(mwx.BOTTOMBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.add_butt.SetToolTip(wx.ToolTip("Add..."))
self.add_butt.Bind(wx.EVT_BUTTON, self.onAdd)
self.delete_butt = wx.BitmapButton(panel, -1, images.lib['documentsDelete'], size=(mwx.BOTTOMBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.delete_butt.SetToolTip(wx.ToolTip("Remove..."))
self.delete_butt.Bind(wx.EVT_BUTTON, self.onDelete)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.BOTTOMBAR_LSPACE)
sizer.Add(self.add_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.delete_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.AddSpacer(mwx.BOTTOMBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeControlbar1(self):
"""Make composition controlbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrControlbarBorder'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
formulaMin_label = wx.StaticText(panel, -1, "Minimal formula:")
formulaMin_label.SetFont(wx.SMALL_FONT)
self.formulaMin_value = mwx.formulaCtrl(panel, -1, config.massToFormula['formulaMin'], size=(150, -1))
formulaMax_label = wx.StaticText(panel, -1, "Maximal formula:")
formulaMax_label.SetFont(wx.SMALL_FONT)
self.formulaMax_value = mwx.formulaCtrl(panel, -1, config.massToFormula['formulaMax'], size=(150, -1))
# pack controls
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(formulaMin_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.formulaMin_value, 1, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.AddSpacer(20)
sizer.Add(formulaMax_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.formulaMax_value, 1, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make tools
self.pmf_butt = wx.BitmapButton(panel, ID_profoundPMF, images.lib['profoundPMFOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.pmf_butt.SetToolTip(wx.ToolTip("Peptide mass fingerprint"))
self.pmf_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.query_butt = wx.BitmapButton(panel, ID_profoundQuery, images.lib['profoundQueryOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.query_butt.SetToolTip(wx.ToolTip("Peak list"))
self.query_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.search_butt = wx.Button(panel, -1, "Search", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.search_butt.Bind(wx.EVT_BUTTON, self.onSearch)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.pmf_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.query_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.search_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbarNoBorder'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
if wx.Platform == '__WXMAC__':
self.search_value = wx.SearchCtrl(panel, -1, size=(150, mwx.SMALL_SEARCH_HEIGHT), style=wx.TE_PROCESS_ENTER)
self.search_value.ShowCancelButton(True)
self.search_value.SetDescriptiveText('Search')
self.search_value.Bind(wx.EVT_TEXT, self.onSearch)
self.search_value.Bind(wx.EVT_SEARCHCTRL_CANCEL_BTN, lambda evt: self.search_value.SetValue(''))
else:
self.search_value = wx.TextCtrl(panel, -1, size=(150, mwx.SMALL_SEARCH_HEIGHT), style=wx.TE_PROCESS_ENTER)
self.search_value.Bind(wx.EVT_TEXT, self.onSearch)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.search_value, 1, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeIonseriesPanel(self):
"""Make controls for ionseries."""
# init panel
ctrlPanel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
ionseriesAgent_label = wx.StaticText(ctrlPanel, -1, "Agent:")
ionseriesAgent_label.SetFont(wx.SMALL_FONT)
self.ionseriesAgentFormula_value = wx.TextCtrl(ctrlPanel, -1, config.massCalculator['ionseriesAgent'], size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.ionseriesAgentFormula_value.SetFont(wx.SMALL_FONT)
self.ionseriesAgentFormula_value.Bind(wx.EVT_TEXT, self.onCompoundChanged)
ionseriesAgentCharge_label = wx.StaticText(ctrlPanel, -1, "Agent charge:")
ionseriesAgentCharge_label.SetFont(wx.SMALL_FONT)
self.ionseriesAgentCharge_value = wx.TextCtrl(ctrlPanel, -1, str(config.massCalculator['ionseriesAgentCharge']), size=(40, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('int'))
self.ionseriesAgentCharge_value.SetFont(wx.SMALL_FONT)
self.ionseriesAgentCharge_value.Bind(wx.EVT_TEXT, self.onCompoundChanged)
ionseriesPolarity_label = wx.StaticText(ctrlPanel, -1, "Polarity:")
ionseriesPolarity_label.SetFont(wx.SMALL_FONT)
self.ionseriesPositive_radio = wx.RadioButton(ctrlPanel, -1, "Positive", style=wx.RB_GROUP)
self.ionseriesPositive_radio.SetFont(wx.SMALL_FONT)
self.ionseriesPositive_radio.Bind(wx.EVT_RADIOBUTTON, self.onCompoundChanged)
self.ionseriesNegative_radio = wx.RadioButton(ctrlPanel, -1, "Negative")
self.ionseriesNegative_radio.SetFont(wx.SMALL_FONT)
self.ionseriesNegative_radio.Bind(wx.EVT_RADIOBUTTON, self.onCompoundChanged)
if config.massCalculator['ionseriesPolarity'] == -1:
self.ionseriesNegative_radio.SetValue(True)
else:
self.ionseriesPositive_radio.SetValue(True)
# pack controls
controls = wx.BoxSizer(wx.HORIZONTAL)
controls.AddSpacer(mwx.CONTROLBAR_LSPACE)
controls.Add(ionseriesAgent_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.ionseriesAgentFormula_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(ionseriesAgentCharge_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.ionseriesAgentCharge_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(ionseriesPolarity_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.ionseriesPositive_radio, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.ionseriesNegative_radio, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls.Fit(ctrlPanel)
ctrlPanel.SetSizer(controls)
# make ions list
self.makeIonsList()
# pack main
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(ctrlPanel, 0, wx.EXPAND)
mainSizer.Add(self.ionsList, 1, wx.EXPAND|wx.ALL, mwx.LISTCTRL_NO_SPACE)
return mainSizer
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrControlbar'],
size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
filter_label = wx.StaticText(panel, -1, "Remove:")
filter_label.SetFont(wx.SMALL_FONT)
self.filterAnnotations_check = wx.CheckBox(panel, -1, "Annotated")
self.filterAnnotations_check.SetFont(wx.SMALL_FONT)
self.filterAnnotations_check.SetValue(
config.match['filterAnnotations'])
self.filterAnnotations_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterMatches_check = wx.CheckBox(panel, -1, "Matched")
self.filterMatches_check.SetFont(wx.SMALL_FONT)
self.filterMatches_check.SetValue(config.match['filterMatches'])
self.filterMatches_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterUnselected_check = wx.CheckBox(panel, -1, "Unselected")
self.filterUnselected_check.SetFont(wx.SMALL_FONT)
self.filterUnselected_check.SetValue(config.match['filterUnselected'])
self.filterUnselected_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterIsotopes_check = wx.CheckBox(panel, -1, "Isotopes")
self.filterIsotopes_check.SetFont(wx.SMALL_FONT)
self.filterIsotopes_check.SetValue(config.match['filterIsotopes'])
self.filterIsotopes_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterUnknown_check = wx.CheckBox(panel, -1, "Unknown")
self.filterUnknown_check.SetFont(wx.SMALL_FONT)
self.filterUnknown_check.SetValue(config.match['filterUnknown'])
self.filterUnknown_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(filter_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.filterAnnotations_check, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.filterMatches_check, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.filterUnselected_check, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.filterIsotopes_check, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.filterUnknown_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeReferencesPanel(self):
"""Make references selection panel."""
# init panel
ctrlPanel = mwx.bgrPanel(self, -1, images.lib["bgrControlbar"], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
references_label = wx.StaticText(ctrlPanel, -1, "References:")
references_label.SetFont(wx.SMALL_FONT)
choices = libs.references.keys()
choices.sort()
choices.insert(0, "Reference lists")
self.references_choice = wx.Choice(ctrlPanel, -1, choices=choices, size=(250, mwx.SMALL_CHOICE_HEIGHT))
self.references_choice.Select(0)
self.references_choice.Bind(wx.EVT_CHOICE, self.onReferencesSelected)
tolerance_label = wx.StaticText(ctrlPanel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(
ctrlPanel,
-1,
str(config.calibration["tolerance"]),
size=(50, mwx.SMALL_TEXTCTRL_HEIGHT),
validator=mwx.validator("floatPos"),
)
self.tolerance_value.SetFont(wx.SMALL_FONT)
self.toleranceUnits_label = wx.StaticText(ctrlPanel, -1, config.calibration["units"])
self.toleranceUnits_label.SetFont(wx.SMALL_FONT)
self.statCalibration_check = wx.CheckBox(ctrlPanel, -1, "Statistical only")
self.statCalibration_check.SetFont(wx.SMALL_FONT)
self.statCalibration_check.Bind(wx.EVT_CHECKBOX, self.onStatCalibration)
self.makeReferencesList()
# pack controls
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(references_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.references_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.toleranceUnits_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.statCalibration_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls = wx.BoxSizer(wx.VERTICAL)
controls.Add(sizer, 1, wx.EXPAND)
controls.Fit(ctrlPanel)
ctrlPanel.SetSizer(controls)
# pack main
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(ctrlPanel, 0, wx.EXPAND, 0)
mainSizer.Add(self.referencesList, 1, wx.EXPAND | wx.ALL, mwx.LISTCTRL_NO_SPACE)
return mainSizer
def makeControlbar2(self):
"""Make rules controlbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
rules_label = wx.StaticText(panel, -1, "Composition rules:")
rules_label.SetFont(wx.SMALL_FONT)
self.ruleHC_check = wx.CheckBox(panel, -1, "H/C")
self.ruleHC_check.SetFont(wx.SMALL_FONT)
self.ruleHC_check.SetValue(('HC' in config.massToFormula['rules']))
self.ruleHC_check.Bind(wx.EVT_CHECKBOX, self.onApplyRules)
self.ruleNOPSC_check = wx.CheckBox(panel, -1, "NOPS/C")
self.ruleNOPSC_check.SetFont(wx.SMALL_FONT)
self.ruleNOPSC_check.SetValue(('NOPSC' in config.massToFormula['rules']))
self.ruleNOPSC_check.Bind(wx.EVT_CHECKBOX, self.onApplyRules)
self.ruleNOPS_check = wx.CheckBox(panel, -1, "NOPS")
self.ruleNOPS_check.SetFont(wx.SMALL_FONT)
self.ruleNOPS_check.SetValue(('NOPS' in config.massToFormula['rules']))
self.ruleNOPS_check.Bind(wx.EVT_CHECKBOX, self.onApplyRules)
self.ruleRDBE_check = wx.CheckBox(panel, -1, "RDBE")
self.ruleRDBE_check.SetFont(wx.SMALL_FONT)
self.ruleRDBE_check.SetValue(('RDBE' in config.massToFormula['rules']))
self.ruleRDBE_check.Bind(wx.EVT_CHECKBOX, self.onApplyRules)
self.ruleRDBEInt_check = wx.CheckBox(panel, -1, "Integer RDBE")
self.ruleRDBEInt_check.SetFont(wx.SMALL_FONT)
self.ruleRDBEInt_check.SetValue(('RDBEInt' in config.massToFormula['rules']))
self.ruleRDBEInt_check.Bind(wx.EVT_CHECKBOX, self.onApplyRules)
self.checkPattern_check = wx.CheckBox(panel, -1, "Check isotopic pattern")
self.checkPattern_check.SetFont(wx.SMALL_FONT)
self.checkPattern_check.SetValue(config.massToFormula['checkPattern'])
# pack controls
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(rules_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.ruleHC_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.ruleNOPSC_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.ruleNOPS_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.ruleRDBE_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.ruleRDBEInt_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 40)
sizer.Add(self.checkPattern_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
filter_label = wx.StaticText(panel, -1, "Remove:")
filter_label.SetFont(wx.SMALL_FONT)
self.filterAnnotations_check = wx.CheckBox(panel, -1, "Annotated")
self.filterAnnotations_check.SetFont(wx.SMALL_FONT)
self.filterAnnotations_check.SetValue(config.match['filterAnnotations'])
self.filterAnnotations_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterMatches_check = wx.CheckBox(panel, -1, "Matched")
self.filterMatches_check.SetFont(wx.SMALL_FONT)
self.filterMatches_check.SetValue(config.match['filterMatches'])
self.filterMatches_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterUnselected_check = wx.CheckBox(panel, -1, "Unselected")
self.filterUnselected_check.SetFont(wx.SMALL_FONT)
self.filterUnselected_check.SetValue(config.match['filterUnselected'])
self.filterUnselected_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterIsotopes_check = wx.CheckBox(panel, -1, "Isotopes")
self.filterIsotopes_check.SetFont(wx.SMALL_FONT)
self.filterIsotopes_check.SetValue(config.match['filterIsotopes'])
self.filterIsotopes_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
self.filterUnknown_check = wx.CheckBox(panel, -1, "Unknown")
self.filterUnknown_check.SetFont(wx.SMALL_FONT)
self.filterUnknown_check.SetValue(config.match['filterUnknown'])
self.filterUnknown_check.Bind(wx.EVT_CHECKBOX, self.onFilter)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(filter_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.filterAnnotations_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.filterMatches_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.filterUnselected_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.filterIsotopes_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.filterUnknown_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.summary_butt = wx.BitmapButton(panel, ID_massCalculatorSummary, images.lib['massCalculatorSummaryOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.summary_butt.SetToolTip(wx.ToolTip("Compound summary"))
self.summary_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.ionseries_butt = wx.BitmapButton(panel, ID_massCalculatorIonSeries, images.lib['massCalculatorIonSeriesOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.ionseries_butt.SetToolTip(wx.ToolTip("Ion series"))
self.ionseries_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.pattern_butt = wx.BitmapButton(panel, ID_massCalculatorPattern, images.lib['massCalculatorPatternOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.pattern_butt.SetToolTip(wx.ToolTip("Isotopic pattern"))
self.pattern_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make compound fields
compound_label = wx.StaticText(panel, -1, "Formula:")
self.compound_value = mwx.formulaCtrl(panel, -1, "", size=(250, -1), style=wx.TE_PROCESS_ENTER)
compound_label.SetFont(wx.SMALL_FONT)
self.compound_value.Bind(wx.EVT_TEXT, self.onCompoundChanged)
self.compound_value.Bind(wx.EVT_TEXT_ENTER, self.onCompoundChanged)
# make save button
self.save_butt = wx.Button(panel, -1, "Save", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.save_butt.Bind(wx.EVT_BUTTON, self.onSave)
# pack elements
self.toolbar = wx.BoxSizer(wx.HORIZONTAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_LSPACE)
self.toolbar.Add(self.summary_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.Add(self.ionseries_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.Add(self.pattern_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.AddSpacer(20)
self.toolbar.Add(compound_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
self.toolbar.Add(self.compound_value, 1, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddSpacer(20)
self.toolbar.Add(self.save_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(self.toolbar, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbarNoBorder'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make tools
references_label = wx.StaticText(panel, -1, "References:")
references_label.SetFont(wx.SMALL_FONT)
choices = libs.references.keys()
choices.sort()
choices.insert(0,'Reference lists')
self.references_choice = wx.Choice(panel, -1, choices=choices, size=(200, mwx.SMALL_CHOICE_HEIGHT))
self.references_choice.Select(0)
self.references_choice.Bind(wx.EVT_CHOICE, self.onReferencesSelected)
# make buttons
self.match_butt = wx.Button(panel, -1, "Match", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.match_butt.Bind(wx.EVT_BUTTON, self.onMatch)
self.annotate_butt = wx.Button(panel, -1, "Annotate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.annotate_butt.Bind(wx.EVT_BUTTON, self.onAnnotate)
self.remove_butt = wx.Button(panel, -1, "Remove", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.remove_butt.Bind(wx.EVT_BUTTON, self.onRemove)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(references_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.references_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.match_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.annotate_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.remove_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make highlights
highlight_label = wx.StaticText(panel, -1, "Highlight:")
highlight_label.SetFont(wx.SMALL_FONT)
choices = ['None', '---', 'Metals', 'Alkali Metals', 'Alkaline Earth Metals', 'Inner Transition Metals', 'Lanthanides', 'Actinides', 'Transition Metals', 'Post-Transition Metals', '---', 'Nonmetals', 'Halogens', 'Noble Gasses', 'Other Nonmetals', '---', 'Metalloids']
self.highlight_choice = wx.Choice(panel, -1, choices=choices, size=(-1, mwx.SMALL_CHOICE_HEIGHT))
self.highlight_choice.Select(0)
self.highlight_choice.Bind(wx.EVT_CHOICE, self.onHighlightGroup)
# make buttons
self.isotopes_butt = wx.Button(panel, -1, "Isotopes", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.isotopes_butt.Bind(wx.EVT_BUTTON, self.onIsotopes)
self.isotopes_butt.Enable(False)
self.wiki_butt = wx.Button(panel, -1, "Wikipedia", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.wiki_butt.Bind(wx.EVT_BUTTON, self.onWiki)
self.photos_butt = wx.Button(panel, -1, "Photos", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.photos_butt.Bind(wx.EVT_BUTTON, self.onPhotos)
self.photos_butt.Enable(False)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(highlight_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.highlight_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.isotopes_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.wiki_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.photos_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make bottom toolbar."""
# init toolbar panel
panel = mwx.bgrPanel(self, -1, images.lib['bgrBottombar'], size=(-1, mwx.BOTTOMBAR_HEIGHT))
self.addPeak_butt = wx.BitmapButton(panel, -1, images.lib['peaklistAdd'], size=(mwx.BOTTOMBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.addPeak_butt.SetToolTip(wx.ToolTip("Add peak manually..."))
self.addPeak_butt.Bind(wx.EVT_BUTTON, self.onAdd)
self.deletePeak_butt = wx.BitmapButton(panel, -1, images.lib['peaklistDelete'], size=(mwx.BOTTOMBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.deletePeak_butt.SetToolTip(wx.ToolTip("Remove peaks..."))
self.deletePeak_butt.Bind(wx.EVT_BUTTON, self.onDelete)
self.annotatePeak_butt = wx.BitmapButton(panel, -1, images.lib['peaklistAnnotate'], size=(mwx.BOTTOMBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.annotatePeak_butt.SetToolTip(wx.ToolTip("Annotate peak..."))
self.annotatePeak_butt.Bind(wx.EVT_BUTTON, self.onAnnotate)
self.editPeak_butt = wx.BitmapButton(panel, -1, images.lib['peaklistEditorOff'], size=(mwx.BOTTOMBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.editPeak_butt.SetToolTip(wx.ToolTip("Show / hide peak editor"))
self.editPeak_butt.Bind(wx.EVT_BUTTON, self.onEdit)
self.peaksCount = wx.StaticText(panel, -1, "")
self.peaksCount.SetFont(wx.SMALL_FONT)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.BOTTOMBAR_LSPACE)
sizer.Add(self.addPeak_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.deletePeak_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.Add(self.annotatePeak_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.Add(self.editPeak_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.AddSpacer(10)
sizer.Add(self.peaksCount, 0, wx.ALIGN_CENTER_VERTICAL, 0)
sizer.AddSpacer(mwx.BOTTOMBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
self.collapse_butt = wx.BitmapButton(panel, -1, images.lib['arrowsDown'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.collapse_butt.Bind(wx.EVT_BUTTON, self.onCollapse)
self.showPeaks_check = wx.CheckBox(panel, -1, "Show peaks")
self.showPeaks_check.SetFont(wx.SMALL_FONT)
self.showPeaks_check.SetValue(config.spectrumGenerator['showPeaks'])
self.showPeaks_check.Bind(wx.EVT_CHECKBOX, self.onShowPeaks)
self.showOverlay_check = wx.CheckBox(panel, -1, "Show overlay")
self.showOverlay_check.SetFont(wx.SMALL_FONT)
self.showOverlay_check.SetValue(config.spectrumGenerator['showOverlay'])
self.showOverlay_check.Bind(wx.EVT_CHECKBOX, self.onShowOverlay)
self.showFlipped_check = wx.CheckBox(panel, -1, "Flip overlay")
self.showFlipped_check.SetFont(wx.SMALL_FONT)
self.showFlipped_check.SetValue(config.spectrumGenerator['showFlipped'])
self.showFlipped_check.Bind(wx.EVT_CHECKBOX, self.onShowFlipped)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(self.collapse_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(self.showPeaks_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.showOverlay_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.showFlipped_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbarNoBorder'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
if wx.Platform == '__WXMAC__':
self.search_value = wx.SearchCtrl(panel,
-1,
size=(150,
mwx.SMALL_SEARCH_HEIGHT),
style=wx.TE_PROCESS_ENTER)
self.search_value.ShowCancelButton(True)
self.search_value.SetDescriptiveText('Search')
self.search_value.Bind(wx.EVT_TEXT, self.onSearch)
self.search_value.Bind(wx.EVT_SEARCHCTRL_CANCEL_BTN,
lambda evt: self.search_value.SetValue(''))
else:
self.search_value = wx.TextCtrl(panel,
-1,
size=(150,
mwx.SMALL_SEARCH_HEIGHT),
style=wx.TE_PROCESS_ENTER)
self.search_value.Bind(wx.EVT_TEXT, self.onSearch)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.search_value, 1, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.image_butt = wx.BitmapButton(panel, ID_documentExportImage, images.lib['documentExportImageOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.image_butt.SetToolTip(wx.ToolTip("Export spectrum image"))
self.image_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.peaklist_butt = wx.BitmapButton(panel, ID_documentExportPeaklist, images.lib['documentExportPeaklistOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.peaklist_butt.SetToolTip(wx.ToolTip("Export peak list"))
self.peaklist_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.spectrum_butt = wx.BitmapButton(panel, ID_documentExportSpectrum, images.lib['documentExportSpectrumOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.spectrum_butt.SetToolTip(wx.ToolTip("Export spectrum data"))
self.spectrum_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make controls
self.export_butt = wx.Button(panel, -1, "Export", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.export_butt.Bind(wx.EVT_BUTTON, self.onExport)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.image_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.peaklist_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.Add(self.spectrum_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.export_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.summary_butt = wx.BitmapButton(panel, ID_documentInfoSummary, images.lib['documentInfoSummaryOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.summary_butt.SetToolTip(wx.ToolTip("Document summary"))
self.summary_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.spectrum_butt = wx.BitmapButton(panel, ID_documentInfoSpectrum, images.lib['documentInfoSpectrumOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.spectrum_butt.SetToolTip(wx.ToolTip("Spectrum information"))
self.spectrum_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.notes_butt = wx.BitmapButton(panel, ID_documentInfoNotes, images.lib['documentInfoNotesOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.notes_butt.SetToolTip(wx.ToolTip("Analysis notes"))
self.notes_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.presets_butt = wx.BitmapButton(panel, -1, images.lib['toolsPresets'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.presets_butt.SetToolTip(wx.ToolTip("Operator presets"))
self.presets_butt.Bind(wx.EVT_BUTTON, self.onPresets)
# pack elements
self.toolbar = wx.BoxSizer(wx.HORIZONTAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_LSPACE)
self.toolbar.Add(self.summary_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.Add(self.spectrum_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.Add(self.notes_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.AddSpacer(20)
self.toolbar.Add(self.presets_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(self.toolbar, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbar'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.references_butt = wx.BitmapButton(
panel,
ID_calibrationReferences,
images.lib['calibrationReferencesOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.references_butt.SetToolTip(wx.ToolTip("Calibration references"))
self.references_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.errors_butt = wx.BitmapButton(panel,
ID_calibrationErrors,
images.lib['calibrationErrorsOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.errors_butt.SetToolTip(wx.ToolTip("Calibration error plot"))
self.errors_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make controls
fitting_label = wx.StaticText(panel, -1, "Fitting:")
fitting_label.SetFont(wx.SMALL_FONT)
self.linearFit_radio = wx.RadioButton(panel,
-1,
"Linear",
style=wx.RB_GROUP)
self.linearFit_radio.SetFont(wx.SMALL_FONT)
self.linearFit_radio.SetValue(True)
self.linearFit_radio.Bind(wx.EVT_RADIOBUTTON, self.onModelChanged)
self.quadraticFit_radio = wx.RadioButton(panel, -1, "Quadratic")
self.quadraticFit_radio.SetFont(wx.SMALL_FONT)
self.quadraticFit_radio.SetValue(
(config.calibration['fitting'] == 'quadratic'))
self.quadraticFit_radio.Bind(wx.EVT_RADIOBUTTON, self.onModelChanged)
units_label = wx.StaticText(panel, -1, "Units:")
units_label.SetFont(wx.SMALL_FONT)
self.unitsDa_radio = wx.RadioButton(panel, -1, "Da", style=wx.RB_GROUP)
self.unitsDa_radio.SetFont(wx.SMALL_FONT)
self.unitsDa_radio.SetValue(True)
self.unitsDa_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio = wx.RadioButton(panel, -1, "ppm")
self.unitsPpm_radio.SetFont(wx.SMALL_FONT)
self.unitsPpm_radio.SetValue((config.calibration['units'] == 'ppm'))
self.unitsPpm_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.assign_butt = wx.Button(panel,
-1,
"Assign",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.assign_butt.Bind(wx.EVT_BUTTON, self.onAssign)
self.apply_butt = wx.Button(panel,
-1,
"Apply",
size=(100, mwx.SMALL_BUTTON_HEIGHT))
self.apply_butt.Bind(wx.EVT_BUTTON, self.onApply)
self.apply_butt.Disable()
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.references_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.errors_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.LEFT,
mwx.BUTTON_SIZE_CORRECTION)
sizer.AddSpacer(20)
sizer.Add(fitting_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.linearFit_radio, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.quadraticFit_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(units_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.unitsDa_radio, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.unitsPpm_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.assign_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
sizer.Add(self.apply_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbar'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.summary_butt = wx.BitmapButton(
panel,
ID_massCalculatorSummary,
images.lib['massCalculatorSummaryOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.summary_butt.SetToolTip(wx.ToolTip("Compound summary"))
self.summary_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.ionseries_butt = wx.BitmapButton(
panel,
ID_massCalculatorIonSeries,
images.lib['massCalculatorIonSeriesOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.ionseries_butt.SetToolTip(wx.ToolTip("Ion series"))
self.ionseries_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.pattern_butt = wx.BitmapButton(
panel,
ID_massCalculatorPattern,
images.lib['massCalculatorPatternOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.pattern_butt.SetToolTip(wx.ToolTip("Isotopic pattern"))
self.pattern_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make compound fields
compound_label = wx.StaticText(panel, -1, "Formula:")
self.compound_value = mwx.formulaCtrl(panel,
-1,
"",
size=(250, -1),
style=wx.TE_PROCESS_ENTER)
compound_label.SetFont(wx.SMALL_FONT)
self.compound_value.Bind(wx.EVT_TEXT, self.onCompoundChanged)
self.compound_value.Bind(wx.EVT_TEXT_ENTER, self.onCompoundChanged)
# make save button
self.save_butt = wx.Button(panel,
-1,
"Save",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.save_butt.Bind(wx.EVT_BUTTON, self.onSave)
# pack elements
self.toolbar = wx.BoxSizer(wx.HORIZONTAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_LSPACE)
self.toolbar.Add(self.summary_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.Add(self.ionseries_butt, 0,
wx.ALIGN_CENTER_VERTICAL | wx.LEFT,
mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.Add(self.pattern_butt, 0,
wx.ALIGN_CENTER_VERTICAL | wx.LEFT,
mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.AddSpacer(20)
self.toolbar.Add(compound_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
self.toolbar.Add(self.compound_value, 1, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddSpacer(20)
self.toolbar.Add(self.save_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(self.toolbar, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeReferencesPanel(self):
"""Make references selection panel."""
# init panel
ctrlPanel = mwx.bgrPanel(self,
-1,
images.lib['bgrControlbar'],
size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
references_label = wx.StaticText(ctrlPanel, -1, "References:")
references_label.SetFont(wx.SMALL_FONT)
choices = libs.references.keys()
choices.sort()
choices.insert(0, 'Reference lists')
self.references_choice = wx.Choice(ctrlPanel,
-1,
choices=choices,
size=(250, mwx.SMALL_CHOICE_HEIGHT))
self.references_choice.Select(0)
self.references_choice.Bind(wx.EVT_CHOICE, self.onReferencesSelected)
tolerance_label = wx.StaticText(ctrlPanel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(
ctrlPanel,
-1,
str(config.calibration['tolerance']),
size=(50, mwx.SMALL_TEXTCTRL_HEIGHT),
validator=mwx.validator('floatPos'))
self.tolerance_value.SetFont(wx.SMALL_FONT)
self.toleranceUnits_label = wx.StaticText(ctrlPanel, -1,
config.calibration['units'])
self.toleranceUnits_label.SetFont(wx.SMALL_FONT)
self.statCalibration_check = wx.CheckBox(ctrlPanel, -1,
"Statistical only")
self.statCalibration_check.SetFont(wx.SMALL_FONT)
self.statCalibration_check.Bind(wx.EVT_CHECKBOX,
self.onStatCalibration)
self.makeReferencesList()
# pack controls
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(references_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.references_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.toleranceUnits_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.statCalibration_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls = wx.BoxSizer(wx.VERTICAL)
controls.Add(sizer, 1, wx.EXPAND)
controls.Fit(ctrlPanel)
ctrlPanel.SetSizer(controls)
# pack main
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(ctrlPanel, 0, wx.EXPAND, 0)
mainSizer.Add(self.referencesList, 1, wx.EXPAND | wx.ALL,
mwx.LISTCTRL_NO_SPACE)
return mainSizer
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbarNoBorder'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make match fields
difference_label = wx.StaticText(panel, -1, "Difference:")
difference_label.SetFont(wx.SMALL_FONT)
self.difference_value = wx.TextCtrl(panel, -1, '', size=(100, -1), style=wx.TE_PROCESS_ENTER, validator=mwx.validator('floatPos'))
self.difference_value.Bind(wx.EVT_TEXT_ENTER, self.onSearch)
self.aminoacids_check = wx.CheckBox(panel, -1, "Amino acids")
self.aminoacids_check.SetFont(wx.SMALL_FONT)
self.aminoacids_check.SetValue(config.peakDifferences['aminoacids'])
self.dipeptides_check = wx.CheckBox(panel, -1, "Dipeptides")
self.dipeptides_check.SetFont(wx.SMALL_FONT)
self.dipeptides_check.SetValue(config.peakDifferences['dipeptides'])
massType_label = wx.StaticText(panel, -1, "Mass:")
massType_label.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio = wx.RadioButton(panel, -1, "Mo", style=wx.RB_GROUP)
self.massTypeMo_radio.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio.SetValue(True)
self.massTypeAv_radio = wx.RadioButton(panel, -1, "Av")
self.massTypeAv_radio.SetFont(wx.SMALL_FONT)
self.massTypeAv_radio.SetValue(config.peakDifferences['massType'])
tolerance_label = wx.StaticText(panel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(panel, -1, str(config.peakDifferences['tolerance']), size=(50, -1), validator=mwx.validator('floatPos'))
toleranceUnits_label = wx.StaticText(panel, -1, "m/z")
toleranceUnits_label.SetFont(wx.SMALL_FONT)
self.consolidate_check = wx.CheckBox(panel, -1, "Hide umatched")
self.consolidate_check.SetFont(wx.SMALL_FONT)
self.consolidate_check.SetValue(config.peakDifferences['consolidate'])
self.search_butt = wx.Button(panel, -1, "Search", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.search_butt.Bind(wx.EVT_BUTTON, self.onSearch)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(difference_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.difference_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.aminoacids_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.dipeptides_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(massType_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.massTypeMo_radio, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.massTypeAv_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(toleranceUnits_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.consolidate_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.search_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrControlbar'],
size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
massType_label = wx.StaticText(panel, -1, "Mass:")
massType_label.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio = wx.RadioButton(panel,
-1,
"Mo",
style=wx.RB_GROUP)
self.massTypeMo_radio.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio.SetValue(True)
self.massTypeAv_radio = wx.RadioButton(panel, -1, "Av")
self.massTypeAv_radio.SetFont(wx.SMALL_FONT)
self.massTypeAv_radio.SetValue(config.compoundsSearch['massType'])
maxCharge_label = wx.StaticText(panel, -1, "Max charge:")
maxCharge_label.SetFont(wx.SMALL_FONT)
self.maxCharge_value = wx.TextCtrl(
panel,
-1,
str(config.compoundsSearch['maxCharge']),
size=(30, mwx.SMALL_TEXTCTRL_HEIGHT),
validator=mwx.validator('int'))
self.maxCharge_value.SetFont(wx.SMALL_FONT)
self.radicals_check = wx.CheckBox(panel, -1, "M*")
self.radicals_check.SetFont(wx.SMALL_FONT)
self.radicals_check.SetValue(config.compoundsSearch['radicals'])
adducts_label = wx.StaticText(panel, -1, "Adducts:")
adducts_label.SetFont(wx.SMALL_FONT)
self.adductNa_check = wx.CheckBox(panel, -1, "Na")
self.adductNa_check.SetFont(wx.SMALL_FONT)
self.adductNa_check.SetValue(
config.compoundsSearch['adducts'].count('Na'))
self.adductK_check = wx.CheckBox(panel, -1, "K")
self.adductK_check.SetFont(wx.SMALL_FONT)
self.adductK_check.SetValue(
config.compoundsSearch['adducts'].count('K'))
self.adductLi_check = wx.CheckBox(panel, -1, "Li")
self.adductLi_check.SetFont(wx.SMALL_FONT)
self.adductLi_check.SetValue(
config.compoundsSearch['adducts'].count('Li'))
self.adductNH4_check = wx.CheckBox(panel, -1, "NH4")
self.adductNH4_check.SetFont(wx.SMALL_FONT)
self.adductNH4_check.SetValue(
config.compoundsSearch['adducts'].count('NH4'))
self.adductH2O_check = wx.CheckBox(panel, -1, "-H2O")
self.adductH2O_check.SetFont(wx.SMALL_FONT)
self.adductH2O_check.SetValue(
config.compoundsSearch['adducts'].count('-H2O'))
self.adductACN_check = wx.CheckBox(panel, -1, "ACN")
self.adductACN_check.SetFont(wx.SMALL_FONT)
self.adductACN_check.SetValue(
config.compoundsSearch['adducts'].count('ACN'))
self.adductMeOH_check = wx.CheckBox(panel, -1, "MeOH")
self.adductMeOH_check.SetFont(wx.SMALL_FONT)
self.adductMeOH_check.SetValue(
config.compoundsSearch['adducts'].count('MeOH'))
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(massType_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.massTypeMo_radio, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.massTypeAv_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(maxCharge_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.maxCharge_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.radicals_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(adducts_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.adductNa_check, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.adductK_check, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.adductLi_check, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.adductNH4_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.adductH2O_check, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.adductACN_check, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.adductMeOH_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbarNoBorder'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
compare_label = wx.StaticText(panel, -1, "Compare:")
compare_label.SetFont(wx.SMALL_FONT)
choices = ['Peak Lists', 'Notations (measured)', 'Notations (theoretical)']
self.compare_choice = wx.Choice(panel, -1, choices=choices, size=(180, mwx.SMALL_CHOICE_HEIGHT))
self.compare_choice.Bind(wx.EVT_CHOICE, self.onUpdatePeaklist)
self.compare_choice.Select(0)
if config.comparePeaklists['compare'] == 'measured':
self.compare_choice.Select(1)
elif config.comparePeaklists['compare'] == 'theoretical':
self.compare_choice.Select(2)
tolerance_label = wx.StaticText(panel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(panel, -1, str(config.comparePeaklists['tolerance']), size=(60, -1), style=wx.TE_PROCESS_ENTER, validator=mwx.validator('floatPos'))
self.tolerance_value.Bind(wx.EVT_TEXT_ENTER, self.onCompare)
self.unitsDa_radio = wx.RadioButton(panel, -1, "Da", style=wx.RB_GROUP)
self.unitsDa_radio.SetFont(wx.SMALL_FONT)
self.unitsDa_radio.SetValue(True)
self.unitsPpm_radio = wx.RadioButton(panel, -1, "ppm")
self.unitsPpm_radio.SetFont(wx.SMALL_FONT)
self.unitsPpm_radio.SetValue((config.comparePeaklists['units'] == 'ppm'))
self.ignoreCharge_check = wx.CheckBox(panel, -1, "Ignore charge")
self.ignoreCharge_check.SetFont(wx.SMALL_FONT)
self.ignoreCharge_check.SetValue(config.comparePeaklists['ignoreCharge'])
self.ratioCheck_check = wx.CheckBox(panel, -1, "Int. ratio:")
self.ratioCheck_check.SetFont(wx.SMALL_FONT)
self.ratioCheck_check.SetValue(config.comparePeaklists['ratioCheck'])
self.ratioCheck_check.Bind(wx.EVT_CHECKBOX, self.onRatioCheckChanged)
self.ratioDirection_choice = wx.Choice(panel, -1, choices=['Above', 'Below'], size=(80, mwx.SMALL_CHOICE_HEIGHT))
self.ratioDirection_choice.Select(0)
if config.comparePeaklists['ratioDirection'] == -1:
self.ratioDirection_choice.Select(1)
self.ratioThreshold_value = wx.TextCtrl(panel, -1, str(config.comparePeaklists['ratioThreshold']), size=(50, -1), validator=mwx.validator('floatPos'))
self.compare_butt = wx.Button(panel, -1, "Compare", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.compare_butt.Bind(wx.EVT_BUTTON, self.onCompare)
self.onRatioCheckChanged()
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(compare_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.compare_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(self.unitsDa_radio, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.unitsPpm_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.ignoreCharge_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.ratioCheck_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.ratioDirection_choice, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.ratioThreshold_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.compare_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make tools
self.compounds_butt = wx.BitmapButton(panel, ID_compoundsSearchCompounds, images.lib['compoundsSearchCompoundsOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.compounds_butt.SetToolTip(wx.ToolTip("Compounds search"))
self.compounds_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.formula_butt = wx.BitmapButton(panel, ID_compoundsSearchFormula, images.lib['compoundsSearchFormulaOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.formula_butt.SetToolTip(wx.ToolTip("Formula search"))
self.formula_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.tool_label = wx.StaticText(panel, -1, "Compounds:")
self.tool_label.SetFont(wx.SMALL_FONT)
choices = libs.compounds.keys()
choices.sort()
choices.insert(0,'Compounds lists')
self.compounds_choice = wx.Choice(panel, -1, choices=choices, size=(250, mwx.SMALL_CHOICE_HEIGHT))
self.compounds_choice.Select(0)
self.compounds_choice.Bind(wx.EVT_CHOICE, self.onGenerate)
self.formula_value = wx.TextCtrl(panel, -1, "", size=(270,-1))
# make buttons
self.generate_butt = wx.Button(panel, -1, "Generate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.generate_butt.Bind(wx.EVT_BUTTON, self.onGenerate)
self.match_butt = wx.Button(panel, -1, "Match", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.match_butt.Bind(wx.EVT_BUTTON, self.onMatch)
self.annotate_butt = wx.Button(panel, -1, "Annotate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.annotate_butt.Bind(wx.EVT_BUTTON, self.onAnnotate)
# pack elements
self.toolbar = wx.BoxSizer(wx.HORIZONTAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_LSPACE)
self.toolbar.Add(self.compounds_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.Add(self.formula_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.AddSpacer(20)
self.toolbar.Add(self.tool_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
self.toolbar.Add(self.compounds_choice, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.Add(self.formula_value, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddStretchSpacer()
self.toolbar.AddSpacer(20)
self.toolbar.Add(self.generate_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
self.toolbar.Add(self.match_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
self.toolbar.Add(self.annotate_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_RSPACE)
self.toolbar.Hide(5)
self.toolbar.Hide(6)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(self.toolbar, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
self.collapse_butt = wx.BitmapButton(panel, -1, images.lib['arrowsDown'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.collapse_butt.Bind(wx.EVT_BUTTON, self.onCollapse)
fitTo_label = wx.StaticText(panel, -1, "Fit to:")
fitTo_label.SetFont(wx.SMALL_FONT)
self.fitToPeaklist_radio = wx.RadioButton(panel, -1, "Peak list", style=wx.RB_GROUP)
self.fitToPeaklist_radio.SetFont(wx.SMALL_FONT)
self.fitToSpectrum_radio = wx.RadioButton(panel, -1, "Spectrum")
self.fitToSpectrum_radio.SetFont(wx.SMALL_FONT)
self.fitToPeaklist_radio.SetValue(True)
if config.envelopeFit['fit'] == 'spectrum':
self.fitToSpectrum_radio.SetValue(True)
fwhm_label = wx.StaticText(panel, -1, "Default FWHM:")
fwhm_label.SetFont(wx.SMALL_FONT)
self.fwhm_value = wx.TextCtrl(panel, -1, str(config.envelopeFit['fwhm']), size=(50, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('floatPos'))
self.fwhm_value.SetFont(wx.SMALL_FONT)
self.forceFwhm_check = wx.CheckBox(panel, -1, "Force")
self.forceFwhm_check.SetFont(wx.SMALL_FONT)
self.forceFwhm_check.SetValue(config.envelopeFit['forceFwhm'])
relThreshold_label = wx.StaticText(panel, -1, "Rel. int. threshold:")
relThreshold_label.SetFont(wx.SMALL_FONT)
relThresholdUnits_label = wx.StaticText(panel, -1, "%")
relThresholdUnits_label.SetFont(wx.SMALL_FONT)
self.relThreshold_value = wx.TextCtrl(panel, -1, str(config.envelopeFit['relThreshold']*100), size=(50, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('floatPos'))
self.relThreshold_value.SetFont(wx.SMALL_FONT)
self.autoAlign_check = wx.CheckBox(panel, -1, "Auto align")
self.autoAlign_check.SetFont(wx.SMALL_FONT)
self.autoAlign_check.SetValue(config.envelopeFit['autoAlign'])
self.average_label = wx.StaticText(panel, -1, "", size=(100, -1))
self.average_label.SetFont(wx.SMALL_FONT)
self.updateAverageLabel()
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(self.collapse_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(fitTo_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.fitToPeaklist_radio, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.fitToSpectrum_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(fwhm_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.fwhm_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.forceFwhm_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(relThreshold_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.relThreshold_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(relThresholdUnits_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.autoAlign_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.average_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbar'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make highlights
highlight_label = wx.StaticText(panel, -1, "Highlight:")
highlight_label.SetFont(wx.SMALL_FONT)
choices = [
'None', '---', 'Metals', 'Alkali Metals', 'Alkaline Earth Metals',
'Inner Transition Metals', 'Lanthanides', 'Actinides',
'Transition Metals', 'Post-Transition Metals', '---', 'Nonmetals',
'Halogens', 'Noble Gasses', 'Other Nonmetals', '---', 'Metalloids'
]
self.highlight_choice = wx.Choice(panel,
-1,
choices=choices,
size=(-1, mwx.SMALL_CHOICE_HEIGHT))
self.highlight_choice.Select(0)
self.highlight_choice.Bind(wx.EVT_CHOICE, self.onHighlightGroup)
# make buttons
self.isotopes_butt = wx.Button(panel,
-1,
"Isotopes",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.isotopes_butt.Bind(wx.EVT_BUTTON, self.onIsotopes)
self.isotopes_butt.Enable(False)
self.wiki_butt = wx.Button(panel,
-1,
"Wikipedia",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.wiki_butt.Bind(wx.EVT_BUTTON, self.onWiki)
self.photos_butt = wx.Button(panel,
-1,
"Photos",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.photos_butt.Bind(wx.EVT_BUTTON, self.onPhotos)
self.photos_butt.Enable(False)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(highlight_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.highlight_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.isotopes_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
10)
sizer.Add(self.wiki_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
sizer.Add(self.photos_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrControlbar'],
size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
relIntCutoff_label = wx.StaticText(panel, -1, "Int. threshold:")
relIntCutoff_label.SetFont(wx.SMALL_FONT)
relIntCutoffUnits_label = wx.StaticText(panel, -1, "%")
relIntCutoffUnits_label.SetFont(wx.SMALL_FONT)
self.relIntCutoff_value = wx.TextCtrl(
panel,
-1,
str(config.massDefectPlot['relIntCutoff'] * 100),
size=(50, mwx.SMALL_TEXTCTRL_HEIGHT),
validator=mwx.validator('floatPos'))
self.relIntCutoff_value.SetFont(wx.SMALL_FONT)
self.removeIsotopes_check = wx.CheckBox(panel, -1, "Remove isotopes")
self.removeIsotopes_check.SetFont(wx.SMALL_FONT)
self.removeIsotopes_check.SetValue(
config.massDefectPlot['removeIsotopes'])
self.ignoreCharge_check = wx.CheckBox(panel, -1, "Ignore charge")
self.ignoreCharge_check.SetFont(wx.SMALL_FONT)
self.ignoreCharge_check.SetValue(config.massDefectPlot['ignoreCharge'])
self.showNotations_check = wx.CheckBox(panel, -1,
"Highlight annotated")
self.showNotations_check.SetFont(wx.SMALL_FONT)
self.showNotations_check.SetValue(
config.massDefectPlot['showNotations'])
self.showNotations_check.Bind(wx.EVT_CHECKBOX, self.onShowNotations)
self.showAllDocuments_check = wx.CheckBox(panel, -1,
"Show all documents")
self.showAllDocuments_check.SetFont(wx.SMALL_FONT)
self.showAllDocuments_check.SetValue(False)
self.showAllDocuments_check.Bind(wx.EVT_CHECKBOX,
self.onShowAllDocuments)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(relIntCutoff_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.relIntCutoff_value, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(relIntCutoffUnits_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.removeIsotopes_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.ignoreCharge_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.showNotations_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.showAllDocuments_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
formula_label = wx.StaticText(panel, -1, "Formula:")
formula_label.SetFont(wx.SMALL_FONT)
self.formula_value = mwx.formulaCtrl(panel, -1, "", size=(220, -1))
charge_label = wx.StaticText(panel, -1, "Charge:")
charge_label.SetFont(wx.SMALL_FONT)
self.charge_value = wx.TextCtrl(panel, -1, str(config.envelopeFit['charge']), size=(35, -1), validator=mwx.validator('int'))
exchange_label = wx.StaticText(panel, -1, "Exchange:")
exchange_label.SetFont(wx.SMALL_FONT)
self.exchangeLoss_value = mwx.formulaCtrl(panel, -1, str(config.envelopeFit['loss']), size=(60, -1))
exchangeVs_label = wx.StaticText(panel, -1, " vs.")
exchangeVs_label.SetFont(wx.SMALL_FONT)
self.exchangeGain_value = mwx.formulaCtrl(panel, -1, str(config.envelopeFit['gain']), size=(60, -1))
scale_label = wx.StaticText(panel, -1, "Range:")
scale_label.SetFont(wx.SMALL_FONT)
scaleDash_label = wx.StaticText(panel, -1, "-")
scaleDash_label.SetFont(wx.SMALL_FONT)
self.scaleMin_value = wx.TextCtrl(panel, -1, str(config.envelopeFit['scaleMin']), size=(35, -1), validator=mwx.validator('intPos'))
self.scaleMax_value = wx.TextCtrl(panel, -1, str(config.envelopeFit['scaleMax']), size=(35, -1), validator=mwx.validator('intPos'))
self.calculate_butt = wx.Button(panel, -1, "Calculate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.calculate_butt.Bind(wx.EVT_BUTTON, self.onCalculate)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(formula_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.formula_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(charge_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.charge_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(exchange_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.exchangeLoss_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(exchangeVs_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.exchangeGain_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(scale_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.scaleMin_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(scaleDash_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.scaleMax_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.calculate_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
mass_label = wx.StaticText(panel, -1, "Mo. mass:")
mass_label.SetFont(wx.SMALL_FONT)
self.mass_value = wx.TextCtrl(panel, -1, "", size=(120, -1), style=wx.TE_PROCESS_ENTER, validator=mwx.validator('floatPos'))
self.mass_value.Bind(wx.EVT_TEXT_ENTER, self.onGenerate)
charge_label = wx.StaticText(panel, -1, "Charge:")
charge_label.SetFont(wx.SMALL_FONT)
self.charge_value = wx.TextCtrl(panel, -1, str(config.massToFormula['charge']), size=(40, -1), validator=mwx.validator('int'))
choices = ['M', 'M*', 'H+', 'Na+', 'K+', 'Li+', 'NH4+']
self.ionization_choice = wx.Choice(panel, -1, choices=choices, size=(80, mwx.SMALL_CHOICE_HEIGHT))
choices = ['', 'e', 'H', 'Na', 'K', 'Li', 'NH4']
if config.massToFormula['ionization'] in choices:
self.ionization_choice.Select(choices.index(config.massToFormula['ionization']))
tolerance_label = wx.StaticText(panel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(panel, -1, str(config.massToFormula['tolerance']), size=(50, -1), validator=mwx.validator('floatPos'))
self.tolerance_value.Bind(wx.EVT_TEXT_ENTER, self.onGenerate)
self.unitsDa_radio = wx.RadioButton(panel, -1, "Da", style=wx.RB_GROUP)
self.unitsDa_radio.SetFont(wx.SMALL_FONT)
self.unitsDa_radio.SetValue(True)
self.unitsDa_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio = wx.RadioButton(panel, -1, "ppm")
self.unitsPpm_radio.SetFont(wx.SMALL_FONT)
self.unitsPpm_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio.SetValue((config.massToFormula['units'] == 'ppm'))
self.generate_butt = wx.Button(panel, -1, "Generate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.generate_butt.Bind(wx.EVT_BUTTON, self.onGenerate)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(mass_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.mass_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(charge_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.charge_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.ionization_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(self.unitsDa_radio, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.unitsPpm_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.generate_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbarNoBorder'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
compare_label = wx.StaticText(panel, -1, "Compare:")
compare_label.SetFont(wx.SMALL_FONT)
choices = [
'Peak Lists', 'Notations (measured)', 'Notations (theoretical)'
]
self.compare_choice = wx.Choice(panel,
-1,
choices=choices,
size=(180, mwx.SMALL_CHOICE_HEIGHT))
self.compare_choice.Bind(wx.EVT_CHOICE, self.onUpdatePeaklist)
self.compare_choice.Select(0)
if config.comparePeaklists['compare'] == 'measured':
self.compare_choice.Select(1)
elif config.comparePeaklists['compare'] == 'theoretical':
self.compare_choice.Select(2)
tolerance_label = wx.StaticText(panel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(
panel,
-1,
str(config.comparePeaklists['tolerance']),
size=(60, -1),
style=wx.TE_PROCESS_ENTER,
validator=mwx.validator('floatPos'))
self.tolerance_value.Bind(wx.EVT_TEXT_ENTER, self.onCompare)
self.unitsDa_radio = wx.RadioButton(panel, -1, "Da", style=wx.RB_GROUP)
self.unitsDa_radio.SetFont(wx.SMALL_FONT)
self.unitsDa_radio.SetValue(True)
self.unitsPpm_radio = wx.RadioButton(panel, -1, "ppm")
self.unitsPpm_radio.SetFont(wx.SMALL_FONT)
self.unitsPpm_radio.SetValue(
(config.comparePeaklists['units'] == 'ppm'))
self.ignoreCharge_check = wx.CheckBox(panel, -1, "Ignore charge")
self.ignoreCharge_check.SetFont(wx.SMALL_FONT)
self.ignoreCharge_check.SetValue(
config.comparePeaklists['ignoreCharge'])
self.ratioCheck_check = wx.CheckBox(panel, -1, "Int. ratio:")
self.ratioCheck_check.SetFont(wx.SMALL_FONT)
self.ratioCheck_check.SetValue(config.comparePeaklists['ratioCheck'])
self.ratioCheck_check.Bind(wx.EVT_CHECKBOX, self.onRatioCheckChanged)
self.ratioDirection_choice = wx.Choice(panel,
-1,
choices=['Above', 'Below'],
size=(80,
mwx.SMALL_CHOICE_HEIGHT))
self.ratioDirection_choice.Select(0)
if config.comparePeaklists['ratioDirection'] == -1:
self.ratioDirection_choice.Select(1)
self.ratioThreshold_value = wx.TextCtrl(
panel,
-1,
str(config.comparePeaklists['ratioThreshold']),
size=(50, -1),
validator=mwx.validator('floatPos'))
self.compare_butt = wx.Button(panel,
-1,
"Compare",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.compare_butt.Bind(wx.EVT_BUTTON, self.onCompare)
self.onRatioCheckChanged()
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(compare_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.compare_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(self.unitsDa_radio, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.unitsPpm_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.ignoreCharge_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.ratioCheck_check, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.ratioDirection_choice, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
sizer.Add(self.ratioThreshold_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.compare_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbarNoBorder'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make tools
references_label = wx.StaticText(panel, -1, "References:")
references_label.SetFont(wx.SMALL_FONT)
choices = libs.references.keys()
choices.sort()
choices.insert(0, 'Reference lists')
self.references_choice = wx.Choice(panel,
-1,
choices=choices,
size=(200, mwx.SMALL_CHOICE_HEIGHT))
self.references_choice.Select(0)
self.references_choice.Bind(wx.EVT_CHOICE, self.onReferencesSelected)
# make buttons
self.match_butt = wx.Button(panel,
-1,
"Match",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.match_butt.Bind(wx.EVT_BUTTON, self.onMatch)
self.annotate_butt = wx.Button(panel,
-1,
"Annotate",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.annotate_butt.Bind(wx.EVT_BUTTON, self.onAnnotate)
self.remove_butt = wx.Button(panel,
-1,
"Remove",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.remove_butt.Bind(wx.EVT_BUTTON, self.onRemove)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(references_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.references_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.match_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
sizer.Add(self.annotate_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
10)
sizer.Add(self.remove_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib["bgrControlbar"], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
self.collapse_butt = wx.BitmapButton(
panel, -1, images.lib["arrowsDown"], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE
)
self.collapse_butt.Bind(wx.EVT_BUTTON, self.onCollapse)
fitTo_label = wx.StaticText(panel, -1, "Fit to:")
fitTo_label.SetFont(wx.SMALL_FONT)
self.fitToPeaklist_radio = wx.RadioButton(panel, -1, "Peak list", style=wx.RB_GROUP)
self.fitToPeaklist_radio.SetFont(wx.SMALL_FONT)
self.fitToSpectrum_radio = wx.RadioButton(panel, -1, "Spectrum")
self.fitToSpectrum_radio.SetFont(wx.SMALL_FONT)
self.fitToPeaklist_radio.SetValue(True)
if config.envelopeFit["fit"] == "spectrum":
self.fitToSpectrum_radio.SetValue(True)
fwhm_label = wx.StaticText(panel, -1, "Default FWHM:")
fwhm_label.SetFont(wx.SMALL_FONT)
self.fwhm_value = wx.TextCtrl(
panel,
-1,
str(config.envelopeFit["fwhm"]),
size=(50, mwx.SMALL_TEXTCTRL_HEIGHT),
validator=mwx.validator("floatPos"),
)
self.fwhm_value.SetFont(wx.SMALL_FONT)
self.forceFwhm_check = wx.CheckBox(panel, -1, "Force")
self.forceFwhm_check.SetFont(wx.SMALL_FONT)
self.forceFwhm_check.SetValue(config.envelopeFit["forceFwhm"])
relThreshold_label = wx.StaticText(panel, -1, "Rel. int. threshold:")
relThreshold_label.SetFont(wx.SMALL_FONT)
relThresholdUnits_label = wx.StaticText(panel, -1, "%")
relThresholdUnits_label.SetFont(wx.SMALL_FONT)
self.relThreshold_value = wx.TextCtrl(
panel,
-1,
str(config.envelopeFit["relThreshold"] * 100),
size=(50, mwx.SMALL_TEXTCTRL_HEIGHT),
validator=mwx.validator("floatPos"),
)
self.relThreshold_value.SetFont(wx.SMALL_FONT)
self.autoAlign_check = wx.CheckBox(panel, -1, "Auto align")
self.autoAlign_check.SetFont(wx.SMALL_FONT)
self.autoAlign_check.SetValue(config.envelopeFit["autoAlign"])
self.average_label = wx.StaticText(panel, -1, "", size=(100, -1))
self.average_label.SetFont(wx.SMALL_FONT)
self.updateAverageLabel()
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(self.collapse_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(fitTo_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.fitToPeaklist_radio, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.fitToSpectrum_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(fwhm_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.fwhm_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.forceFwhm_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(relThreshold_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.relThreshold_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(relThresholdUnits_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.autoAlign_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.average_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbar'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make tools
self.compounds_butt = wx.BitmapButton(
panel,
ID_compoundsSearchCompounds,
images.lib['compoundsSearchCompoundsOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.compounds_butt.SetToolTip(wx.ToolTip("Compounds search"))
self.compounds_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.formula_butt = wx.BitmapButton(
panel,
ID_compoundsSearchFormula,
images.lib['compoundsSearchFormulaOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.formula_butt.SetToolTip(wx.ToolTip("Formula search"))
self.formula_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.tool_label = wx.StaticText(panel, -1, "Compounds:")
self.tool_label.SetFont(wx.SMALL_FONT)
choices = libs.compounds.keys()
choices.sort()
choices.insert(0, 'Compounds lists')
self.compounds_choice = wx.Choice(panel,
-1,
choices=choices,
size=(250, mwx.SMALL_CHOICE_HEIGHT))
self.compounds_choice.Select(0)
self.compounds_choice.Bind(wx.EVT_CHOICE, self.onGenerate)
self.formula_value = wx.TextCtrl(panel, -1, "", size=(270, -1))
# make buttons
self.generate_butt = wx.Button(panel,
-1,
"Generate",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.generate_butt.Bind(wx.EVT_BUTTON, self.onGenerate)
self.match_butt = wx.Button(panel,
-1,
"Match",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.match_butt.Bind(wx.EVT_BUTTON, self.onMatch)
self.annotate_butt = wx.Button(panel,
-1,
"Annotate",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.annotate_butt.Bind(wx.EVT_BUTTON, self.onAnnotate)
# pack elements
self.toolbar = wx.BoxSizer(wx.HORIZONTAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_LSPACE)
self.toolbar.Add(self.compounds_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.Add(self.formula_butt, 0,
wx.ALIGN_CENTER_VERTICAL | wx.LEFT,
mwx.BUTTON_SIZE_CORRECTION)
self.toolbar.AddSpacer(20)
self.toolbar.Add(self.tool_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
self.toolbar.Add(self.compounds_choice, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.Add(self.formula_value, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddStretchSpacer()
self.toolbar.AddSpacer(20)
self.toolbar.Add(self.generate_butt, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
self.toolbar.Add(self.match_butt, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
self.toolbar.Add(self.annotate_butt, 0, wx.ALIGN_CENTER_VERTICAL)
self.toolbar.AddSpacer(mwx.TOOLBAR_RSPACE)
self.toolbar.Hide(5)
self.toolbar.Hide(6)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(self.toolbar, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib["bgrToolbar"], size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
formula_label = wx.StaticText(panel, -1, "Formula:")
formula_label.SetFont(wx.SMALL_FONT)
self.formula_value = mwx.formulaCtrl(panel, -1, "", size=(220, -1))
charge_label = wx.StaticText(panel, -1, "Charge:")
charge_label.SetFont(wx.SMALL_FONT)
self.charge_value = wx.TextCtrl(
panel, -1, str(config.envelopeFit["charge"]), size=(35, -1), validator=mwx.validator("int")
)
exchange_label = wx.StaticText(panel, -1, "Exchange:")
exchange_label.SetFont(wx.SMALL_FONT)
self.exchangeLoss_value = mwx.formulaCtrl(panel, -1, str(config.envelopeFit["loss"]), size=(60, -1))
exchangeVs_label = wx.StaticText(panel, -1, " vs.")
exchangeVs_label.SetFont(wx.SMALL_FONT)
self.exchangeGain_value = mwx.formulaCtrl(panel, -1, str(config.envelopeFit["gain"]), size=(60, -1))
scale_label = wx.StaticText(panel, -1, "Range:")
scale_label.SetFont(wx.SMALL_FONT)
scaleDash_label = wx.StaticText(panel, -1, "-")
scaleDash_label.SetFont(wx.SMALL_FONT)
self.scaleMin_value = wx.TextCtrl(
panel, -1, str(config.envelopeFit["scaleMin"]), size=(35, -1), validator=mwx.validator("intPos")
)
self.scaleMax_value = wx.TextCtrl(
panel, -1, str(config.envelopeFit["scaleMax"]), size=(35, -1), validator=mwx.validator("intPos")
)
self.calculate_butt = wx.Button(panel, -1, "Calculate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.calculate_butt.Bind(wx.EVT_BUTTON, self.onCalculate)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(formula_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.formula_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(charge_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.charge_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(exchange_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.exchangeLoss_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(exchangeVs_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.exchangeGain_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(scale_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.scaleMin_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(scaleDash_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.scaleMax_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.calculate_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib["bgrToolbar"], size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.references_butt = wx.BitmapButton(
panel,
ID_calibrationReferences,
images.lib["calibrationReferencesOff"],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE,
)
self.references_butt.SetToolTip(wx.ToolTip("Calibration references"))
self.references_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.errors_butt = wx.BitmapButton(
panel,
ID_calibrationErrors,
images.lib["calibrationErrorsOff"],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE,
)
self.errors_butt.SetToolTip(wx.ToolTip("Calibration error plot"))
self.errors_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make controls
fitting_label = wx.StaticText(panel, -1, "Fitting:")
fitting_label.SetFont(wx.SMALL_FONT)
self.linearFit_radio = wx.RadioButton(panel, -1, "Linear", style=wx.RB_GROUP)
self.linearFit_radio.SetFont(wx.SMALL_FONT)
self.linearFit_radio.SetValue(True)
self.linearFit_radio.Bind(wx.EVT_RADIOBUTTON, self.onModelChanged)
self.quadraticFit_radio = wx.RadioButton(panel, -1, "Quadratic")
self.quadraticFit_radio.SetFont(wx.SMALL_FONT)
self.quadraticFit_radio.SetValue((config.calibration["fitting"] == "quadratic"))
self.quadraticFit_radio.Bind(wx.EVT_RADIOBUTTON, self.onModelChanged)
units_label = wx.StaticText(panel, -1, "Units:")
units_label.SetFont(wx.SMALL_FONT)
self.unitsDa_radio = wx.RadioButton(panel, -1, "Da", style=wx.RB_GROUP)
self.unitsDa_radio.SetFont(wx.SMALL_FONT)
self.unitsDa_radio.SetValue(True)
self.unitsDa_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio = wx.RadioButton(panel, -1, "ppm")
self.unitsPpm_radio.SetFont(wx.SMALL_FONT)
self.unitsPpm_radio.SetValue((config.calibration["units"] == "ppm"))
self.unitsPpm_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.assign_butt = wx.Button(panel, -1, "Assign", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.assign_butt.Bind(wx.EVT_BUTTON, self.onAssign)
self.apply_butt = wx.Button(panel, -1, "Apply", size=(100, mwx.SMALL_BUTTON_HEIGHT))
self.apply_butt.Bind(wx.EVT_BUTTON, self.onApply)
self.apply_butt.Disable()
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.references_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.errors_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.AddSpacer(20)
sizer.Add(fitting_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.linearFit_radio, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.quadraticFit_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(units_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.unitsDa_radio, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.unitsPpm_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.assign_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
sizer.Add(self.apply_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeEditor(self):
"""Make panel for peak editing."""
# init panel
panel = mwx.bgrPanel(self, -1, images.lib['bgrPeakEditor'])
# make elements
peakMz_label = wx.StaticText(panel, -1, "m/z:")
self.peakMz_value = wx.TextCtrl(panel, -1, '', size=(80, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('floatPos'))
peakMz_label.SetFont(wx.SMALL_FONT)
self.peakMz_value.SetFont(wx.SMALL_FONT)
peakAi_label = wx.StaticText(panel, -1, "a.i.:")
self.peakAi_value = wx.TextCtrl(panel, -1, '', size=(80, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('floatPos'))
peakAi_label.SetFont(wx.SMALL_FONT)
self.peakAi_value.SetFont(wx.SMALL_FONT)
peakBase_label = wx.StaticText(panel, -1, "base:")
self.peakBase_value = wx.TextCtrl(panel, -1, '', size=(80, mwx.SMALL_TEXTCTRL_HEIGHT), style=wx.TE_PROCESS_ENTER, validator=mwx.validator('floatPos'))
peakBase_label.SetFont(wx.SMALL_FONT)
self.peakBase_value.SetFont(wx.SMALL_FONT)
peakSN_label = wx.StaticText(panel, -1, "s/n:")
self.peakSN_value = wx.TextCtrl(panel, -1, '', size=(80, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('floatPos'))
peakSN_label.SetFont(wx.SMALL_FONT)
self.peakSN_value.SetFont(wx.SMALL_FONT)
peakCharge_label = wx.StaticText(panel, -1, "charge:")
self.peakCharge_value = wx.TextCtrl(panel, -1, '', size=(80, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('int'))
peakCharge_label.SetFont(wx.SMALL_FONT)
self.peakCharge_value.SetFont(wx.SMALL_FONT)
peakFwhm_label = wx.StaticText(panel, -1, "fwhm:")
self.peakFwhm_value = wx.TextCtrl(panel, -1, '', size=(80, mwx.SMALL_TEXTCTRL_HEIGHT), style=wx.TE_PROCESS_ENTER, validator=mwx.validator('floatPos'))
peakFwhm_label.SetFont(wx.SMALL_FONT)
self.peakFwhm_value.SetFont(wx.SMALL_FONT)
peakGroup_label = wx.StaticText(panel, -1, "group:")
self.peakGroup_value = wx.TextCtrl(panel, -1, '', size=(80, mwx.SMALL_TEXTCTRL_HEIGHT), style=wx.TE_PROCESS_ENTER)
peakGroup_label.SetFont(wx.SMALL_FONT)
self.peakGroup_value.SetFont(wx.SMALL_FONT)
self.peakMonoisotopic_check = wx.CheckBox(panel, -1, "monoisotopic")
self.peakMonoisotopic_check.SetValue(True)
self.peakMonoisotopic_check.SetFont(wx.SMALL_FONT)
self.peakAdd_butt = wx.Button(panel, -1, "Add", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.peakAdd_butt.Bind(wx.EVT_BUTTON, self.onAddPeak)
self.peakReplace_butt = wx.Button(panel, -1, "Update", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.peakReplace_butt.Bind(wx.EVT_BUTTON, self.onReplacePeak)
self.peakReplace_butt.Enable(False)
# pack elements
grid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
grid.Add(peakMz_label, (0,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
grid.Add(self.peakMz_value, (0,1), flag=wx.EXPAND)
grid.Add(peakAi_label, (1,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
grid.Add(self.peakAi_value, (1,1), flag=wx.EXPAND)
grid.Add(peakBase_label, (2,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
grid.Add(self.peakBase_value, (2,1), flag=wx.EXPAND)
grid.Add(peakSN_label, (3,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
grid.Add(self.peakSN_value, (3,1), flag=wx.EXPAND)
grid.Add(peakCharge_label, (4,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
grid.Add(self.peakCharge_value, (4,1), flag=wx.EXPAND)
grid.Add(peakFwhm_label, (5,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
grid.Add(self.peakFwhm_value, (5,1), flag=wx.EXPAND)
grid.Add(peakGroup_label, (6,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
grid.Add(self.peakGroup_value, (6,1), flag=wx.EXPAND)
grid.Add(self.peakMonoisotopic_check, (7,1), flag=wx.ALIGN_LEFT|wx.ALIGN_CENTER_VERTICAL)
grid.AddGrowableCol(1)
buttons = wx.BoxSizer(wx.HORIZONTAL)
buttons.Add(self.peakAdd_butt, 0, wx.RIGHT, 10)
buttons.Add(self.peakReplace_butt, 0)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(grid, 0, wx.EXPAND|wx.ALIGN_CENTER|wx.ALL, 10)
mainSizer.Add(buttons, 0, wx.ALIGN_CENTER|wx.RIGHT|wx.LEFT|wx.BOTTOM, 10)
# fit layout
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make elements
peakShape_label = wx.StaticText(panel, -1, "Peak shape:")
peakShape_label.SetFont(wx.SMALL_FONT)
self.peakShape_choice = wx.Choice(panel, -1, choices=['Symmetrical', 'Asymmetrical'], size=(125, mwx.CHOICE_HEIGHT))
self.peakShape_choice.Select(0)
if config.spectrumGenerator['peakShape'] == 'gausslorentzian':
self.peakShape_choice.Select(1)
fwhm_label = wx.StaticText(panel, -1, "Default FWHM:")
fwhm_label.SetFont(wx.SMALL_FONT)
self.fwhm_value = wx.TextCtrl(panel, -1, str(config.spectrumGenerator['fwhm']), size=(60, -1), validator=mwx.validator('floatPos'))
self.forceFwhm_check = wx.CheckBox(panel, -1, "Force")
self.forceFwhm_check.SetFont(wx.SMALL_FONT)
self.forceFwhm_check.SetValue(config.spectrumGenerator['forceFwhm'])
points_label = wx.StaticText(panel, -1, "Points/peak:")
points_label.SetFont(wx.SMALL_FONT)
self.points_value = wx.TextCtrl(panel, -1, str(config.spectrumGenerator['points']), size=(60, -1), validator=mwx.validator('intPos'))
noise_label = wx.StaticText(panel, -1, "Noise width:")
noise_label.SetFont(wx.SMALL_FONT)
self.noise_value = wx.TextCtrl(panel, -1, str(config.spectrumGenerator['noise']), size=(80, -1), validator=mwx.validator('floatPos'))
self.generate_butt = wx.Button(panel, -1, "Generate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.generate_butt.Bind(wx.EVT_BUTTON, self.onGenerate)
self.apply_butt = wx.Button(panel, -1, "Apply", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.apply_butt.Bind(wx.EVT_BUTTON, self.onApply)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(peakShape_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.peakShape_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(fwhm_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.fwhm_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.forceFwhm_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(points_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.points_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(noise_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.noise_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.AddStretchSpacer()
sizer.Add(self.generate_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.apply_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeControlbar(self):
"""Make controlbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make elements
massType_label = wx.StaticText(panel, -1, "Mass:")
massType_label.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio = wx.RadioButton(panel, -1, "Mo", style=wx.RB_GROUP)
self.massTypeMo_radio.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio.SetValue(True)
self.massTypeAv_radio = wx.RadioButton(panel, -1, "Av")
self.massTypeAv_radio.SetFont(wx.SMALL_FONT)
self.massTypeAv_radio.SetValue(config.compoundsSearch['massType'])
maxCharge_label = wx.StaticText(panel, -1, "Max charge:")
maxCharge_label.SetFont(wx.SMALL_FONT)
self.maxCharge_value = wx.TextCtrl(panel, -1, str(config.compoundsSearch['maxCharge']), size=(30, mwx.SMALL_TEXTCTRL_HEIGHT), validator=mwx.validator('int'))
self.maxCharge_value.SetFont(wx.SMALL_FONT)
self.radicals_check = wx.CheckBox(panel, -1, "M*")
self.radicals_check.SetFont(wx.SMALL_FONT)
self.radicals_check.SetValue(config.compoundsSearch['radicals'])
adducts_label = wx.StaticText(panel, -1, "Adducts:")
adducts_label.SetFont(wx.SMALL_FONT)
self.adductNa_check = wx.CheckBox(panel, -1, "Na")
self.adductNa_check.SetFont(wx.SMALL_FONT)
self.adductNa_check.SetValue(config.compoundsSearch['adducts'].count('Na'))
self.adductK_check = wx.CheckBox(panel, -1, "K")
self.adductK_check.SetFont(wx.SMALL_FONT)
self.adductK_check.SetValue(config.compoundsSearch['adducts'].count('K'))
self.adductLi_check = wx.CheckBox(panel, -1, "Li")
self.adductLi_check.SetFont(wx.SMALL_FONT)
self.adductLi_check.SetValue(config.compoundsSearch['adducts'].count('Li'))
self.adductNH4_check = wx.CheckBox(panel, -1, "NH4")
self.adductNH4_check.SetFont(wx.SMALL_FONT)
self.adductNH4_check.SetValue(config.compoundsSearch['adducts'].count('NH4'))
self.adductH2O_check = wx.CheckBox(panel, -1, "-H2O")
self.adductH2O_check.SetFont(wx.SMALL_FONT)
self.adductH2O_check.SetValue(config.compoundsSearch['adducts'].count('-H2O'))
self.adductACN_check = wx.CheckBox(panel, -1, "ACN")
self.adductACN_check.SetFont(wx.SMALL_FONT)
self.adductACN_check.SetValue(config.compoundsSearch['adducts'].count('ACN'))
self.adductMeOH_check = wx.CheckBox(panel, -1, "MeOH")
self.adductMeOH_check.SetFont(wx.SMALL_FONT)
self.adductMeOH_check.SetValue(config.compoundsSearch['adducts'].count('MeOH'))
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(massType_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.massTypeMo_radio, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.massTypeAv_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(maxCharge_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.maxCharge_value, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.radicals_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(adducts_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.adductNa_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.adductK_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.adductLi_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.adductNH4_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.adductH2O_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.adductACN_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.adductMeOH_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
mainSizer.Fit(panel)
panel.SetSizer(mainSizer)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbar'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.errors_butt = wx.BitmapButton(panel,
ID_matchErrors,
images.lib['matchErrorsOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.errors_butt.SetToolTip(wx.ToolTip("Error plot"))
self.errors_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.summary_butt = wx.BitmapButton(panel,
ID_matchSummary,
images.lib['matchSummaryOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.summary_butt.SetToolTip(wx.ToolTip("Match summary"))
self.summary_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make match fields
tolerance_label = wx.StaticText(panel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(panel,
-1,
str(config.match['tolerance']),
size=(60, -1),
validator=mwx.validator('floatPos'))
self.unitsDa_radio = wx.RadioButton(panel, -1, "Da", style=wx.RB_GROUP)
self.unitsDa_radio.SetFont(wx.SMALL_FONT)
self.unitsDa_radio.SetValue(True)
self.unitsDa_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio = wx.RadioButton(panel, -1, "ppm")
self.unitsPpm_radio.SetFont(wx.SMALL_FONT)
self.unitsPpm_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio.SetValue((config.match['units'] == 'ppm'))
self.ignoreCharge_check = wx.CheckBox(panel, -1, "Ignore charge")
self.ignoreCharge_check.SetFont(wx.SMALL_FONT)
self.ignoreCharge_check.SetValue(config.match['ignoreCharge'])
if self.currentModule == 'massfilter':
self.ignoreCharge_check.Disable()
self.match_butt = wx.Button(panel,
-1,
"Match",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.match_butt.Bind(wx.EVT_BUTTON, self.onMatch)
self.calibrate_butt = wx.Button(panel,
-1,
"Calibrate",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.calibrate_butt.Bind(wx.EVT_BUTTON, self.onCalibrate)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.errors_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.summary_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.LEFT,
mwx.BUTTON_SIZE_CORRECTION)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(self.unitsDa_radio, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(self.unitsPpm_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.ignoreCharge_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.match_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 10)
sizer.Add(self.calibrate_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbarNoBorder'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make match fields
difference_label = wx.StaticText(panel, -1, "Difference:")
difference_label.SetFont(wx.SMALL_FONT)
self.difference_value = wx.TextCtrl(
panel,
-1,
'',
size=(100, -1),
style=wx.TE_PROCESS_ENTER,
validator=mwx.validator('floatPos'))
self.difference_value.Bind(wx.EVT_TEXT_ENTER, self.onSearch)
self.aminoacids_check = wx.CheckBox(panel, -1, "Amino acids")
self.aminoacids_check.SetFont(wx.SMALL_FONT)
self.aminoacids_check.SetValue(config.peakDifferences['aminoacids'])
self.dipeptides_check = wx.CheckBox(panel, -1, "Dipeptides")
self.dipeptides_check.SetFont(wx.SMALL_FONT)
self.dipeptides_check.SetValue(config.peakDifferences['dipeptides'])
massType_label = wx.StaticText(panel, -1, "Mass:")
massType_label.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio = wx.RadioButton(panel,
-1,
"Mo",
style=wx.RB_GROUP)
self.massTypeMo_radio.SetFont(wx.SMALL_FONT)
self.massTypeMo_radio.SetValue(True)
self.massTypeAv_radio = wx.RadioButton(panel, -1, "Av")
self.massTypeAv_radio.SetFont(wx.SMALL_FONT)
self.massTypeAv_radio.SetValue(config.peakDifferences['massType'])
tolerance_label = wx.StaticText(panel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(
panel,
-1,
str(config.peakDifferences['tolerance']),
size=(50, -1),
validator=mwx.validator('floatPos'))
toleranceUnits_label = wx.StaticText(panel, -1, "m/z")
toleranceUnits_label.SetFont(wx.SMALL_FONT)
self.consolidate_check = wx.CheckBox(panel, -1, "Hide umatched")
self.consolidate_check.SetFont(wx.SMALL_FONT)
self.consolidate_check.SetValue(config.peakDifferences['consolidate'])
self.search_butt = wx.Button(panel,
-1,
"Search",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.search_butt.Bind(wx.EVT_BUTTON, self.onSearch)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(difference_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.difference_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.aminoacids_check, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.dipeptides_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(massType_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.massTypeMo_radio, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.massTypeAv_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
sizer.Add(toleranceUnits_label, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.consolidate_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.search_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makePatternPanel(self):
"""Make controls for pattern simulation."""
# init panel
ctrlPanel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
self.patternCollapse_butt = wx.BitmapButton(ctrlPanel, ID_massCalculatorCollapse, images.lib['arrowsDown'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.patternCollapse_butt.Bind(wx.EVT_BUTTON, self.onCollapse)
patternPeakShape_label = wx.StaticText(ctrlPanel, -1, "Shape:")
patternPeakShape_label.SetFont(wx.SMALL_FONT)
self.patternPeakShape_choice = wx.Choice(ctrlPanel, -1, choices=['Symmetrical', 'Asymmetrical'], size=(125, mwx.CHOICE_HEIGHT))
self.patternPeakShape_choice.Select(0)
if config.massCalculator['patternPeakShape'] == 'gausslorentzian':
self.patternPeakShape_choice.Select(1)
self.patternPeakShape_choice.Bind(wx.EVT_CHOICE, self.onProfileChanged)
patternFwhm_label = wx.StaticText(ctrlPanel, -1, "FWHM:")
patternFwhm_label.SetFont(wx.SMALL_FONT)
self.patternFwhm_value = mwx.scrollTextCtrl(ctrlPanel, -1, str(config.massCalculator['patternFwhm']), multiplier=0.1, limits=(0.001,10), digits=4, size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternFwhm_value.SetFont(wx.SMALL_FONT)
self.patternFwhm_value.Bind(wx.EVT_TEXT, self.onPatternChanged)
patternIntensity_label = wx.StaticText(ctrlPanel, -1, "Intensity:")
patternIntensity_label.SetFont(wx.SMALL_FONT)
self.patternIntensity_value = mwx.scrollTextCtrl(ctrlPanel, -1, str(config.massCalculator['patternIntensity']), multiplier=0.1, limits=(1,None), size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternIntensity_value.SetFont(wx.SMALL_FONT)
self.patternIntensity_value.Bind(wx.EVT_TEXT, self.onProfileChanged)
patternBaseline_label = wx.StaticText(ctrlPanel, -1, "Baseline:")
patternBaseline_label.SetFont(wx.SMALL_FONT)
self.patternBaseline_value = mwx.scrollTextCtrl(ctrlPanel, -1, str(config.massCalculator['patternBaseline']), multiplier=0.1, limits=(0,None), size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternBaseline_value.SetFont(wx.SMALL_FONT)
self.patternBaseline_value.Bind(wx.EVT_TEXT, self.onProfileChanged)
patternShift_label = wx.StaticText(ctrlPanel, -1, "Shift:")
patternShift_label.SetFont(wx.SMALL_FONT)
self.patternShift_value = mwx.scrollTextCtrl(ctrlPanel, -1, "0", step=0.001, digits=3, limits=(-1.,1.), size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternShift_value.SetFont(wx.SMALL_FONT)
self.patternShift_value.Bind(wx.EVT_TEXT, self.onProfileChanged)
self.showPeaks_check = wx.CheckBox(ctrlPanel, -1, "Peaks")
self.showPeaks_check.SetFont(wx.SMALL_FONT)
self.showPeaks_check.SetValue(config.massCalculator['patternShowPeaks'])
self.showPeaks_check.Bind(wx.EVT_CHECKBOX, self.onProfileChanged)
# pack controls
controls = wx.BoxSizer(wx.HORIZONTAL)
controls.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls.Add(self.patternCollapse_butt, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(10)
controls.Add(patternPeakShape_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.patternPeakShape_choice, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternFwhm_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.patternFwhm_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternIntensity_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.patternIntensity_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternBaseline_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.patternBaseline_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternShift_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
controls.Add(self.patternShift_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(self.showPeaks_check, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls.Fit(ctrlPanel)
ctrlPanel.SetSizer(controls)
# make plot canvas
self.makePatternCanvas()
# pack main
self.patternSizer = wx.BoxSizer(wx.VERTICAL)
self.patternSizer.Add(ctrlPanel, 0, wx.EXPAND, 0)
self.patternSizer.Add(self.patternCanvas, 1, wx.EXPAND)
return self.patternSizer
def makeIonseriesPanel(self):
"""Make controls for ionseries."""
# init panel
ctrlPanel = mwx.bgrPanel(self,
-1,
images.lib['bgrControlbar'],
size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
ionseriesAgent_label = wx.StaticText(ctrlPanel, -1, "Agent:")
ionseriesAgent_label.SetFont(wx.SMALL_FONT)
self.ionseriesAgentFormula_value = wx.TextCtrl(
ctrlPanel,
-1,
config.massCalculator['ionseriesAgent'],
size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.ionseriesAgentFormula_value.SetFont(wx.SMALL_FONT)
self.ionseriesAgentFormula_value.Bind(wx.EVT_TEXT,
self.onCompoundChanged)
ionseriesAgentCharge_label = wx.StaticText(ctrlPanel, -1,
"Agent charge:")
ionseriesAgentCharge_label.SetFont(wx.SMALL_FONT)
self.ionseriesAgentCharge_value = wx.TextCtrl(
ctrlPanel,
-1,
str(config.massCalculator['ionseriesAgentCharge']),
size=(40, mwx.SMALL_TEXTCTRL_HEIGHT),
validator=mwx.validator('int'))
self.ionseriesAgentCharge_value.SetFont(wx.SMALL_FONT)
self.ionseriesAgentCharge_value.Bind(wx.EVT_TEXT,
self.onCompoundChanged)
ionseriesPolarity_label = wx.StaticText(ctrlPanel, -1, "Polarity:")
ionseriesPolarity_label.SetFont(wx.SMALL_FONT)
self.ionseriesPositive_radio = wx.RadioButton(ctrlPanel,
-1,
"Positive",
style=wx.RB_GROUP)
self.ionseriesPositive_radio.SetFont(wx.SMALL_FONT)
self.ionseriesPositive_radio.Bind(wx.EVT_RADIOBUTTON,
self.onCompoundChanged)
self.ionseriesNegative_radio = wx.RadioButton(ctrlPanel, -1,
"Negative")
self.ionseriesNegative_radio.SetFont(wx.SMALL_FONT)
self.ionseriesNegative_radio.Bind(wx.EVT_RADIOBUTTON,
self.onCompoundChanged)
if config.massCalculator['ionseriesPolarity'] == -1:
self.ionseriesNegative_radio.SetValue(True)
else:
self.ionseriesPositive_radio.SetValue(True)
# pack controls
controls = wx.BoxSizer(wx.HORIZONTAL)
controls.AddSpacer(mwx.CONTROLBAR_LSPACE)
controls.Add(ionseriesAgent_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.ionseriesAgentFormula_value, 0,
wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(ionseriesAgentCharge_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.ionseriesAgentCharge_value, 0,
wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(ionseriesPolarity_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.ionseriesPositive_radio, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.ionseriesNegative_radio, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls.Fit(ctrlPanel)
ctrlPanel.SetSizer(controls)
# make ions list
self.makeIonsList()
# pack main
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(ctrlPanel, 0, wx.EXPAND)
mainSizer.Add(self.ionsList, 1, wx.EXPAND | wx.ALL,
mwx.LISTCTRL_NO_SPACE)
return mainSizer
def makePatternPanel(self):
"""Make controls for pattern simulation."""
# init panel
ctrlPanel = mwx.bgrPanel(self,
-1,
images.lib['bgrControlbar'],
size=(-1, mwx.CONTROLBAR_HEIGHT))
# make controls
self.patternCollapse_butt = wx.BitmapButton(
ctrlPanel,
ID_massCalculatorCollapse,
images.lib['arrowsDown'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.patternCollapse_butt.Bind(wx.EVT_BUTTON, self.onCollapse)
patternPeakShape_label = wx.StaticText(ctrlPanel, -1, "Shape:")
patternPeakShape_label.SetFont(wx.SMALL_FONT)
self.patternPeakShape_choice = wx.Choice(
ctrlPanel,
-1,
choices=['Symmetrical', 'Asymmetrical'],
size=(125, mwx.CHOICE_HEIGHT))
self.patternPeakShape_choice.Select(0)
if config.massCalculator['patternPeakShape'] == 'gausslorentzian':
self.patternPeakShape_choice.Select(1)
self.patternPeakShape_choice.Bind(wx.EVT_CHOICE, self.onProfileChanged)
patternFwhm_label = wx.StaticText(ctrlPanel, -1, "FWHM:")
patternFwhm_label.SetFont(wx.SMALL_FONT)
self.patternFwhm_value = mwx.scrollTextCtrl(
ctrlPanel,
-1,
str(config.massCalculator['patternFwhm']),
multiplier=0.1,
limits=(0.001, 10),
digits=4,
size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternFwhm_value.SetFont(wx.SMALL_FONT)
self.patternFwhm_value.Bind(wx.EVT_TEXT, self.onPatternChanged)
patternIntensity_label = wx.StaticText(ctrlPanel, -1, "Intensity:")
patternIntensity_label.SetFont(wx.SMALL_FONT)
self.patternIntensity_value = mwx.scrollTextCtrl(
ctrlPanel,
-1,
str(config.massCalculator['patternIntensity']),
multiplier=0.1,
limits=(1, None),
size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternIntensity_value.SetFont(wx.SMALL_FONT)
self.patternIntensity_value.Bind(wx.EVT_TEXT, self.onProfileChanged)
patternBaseline_label = wx.StaticText(ctrlPanel, -1, "Baseline:")
patternBaseline_label.SetFont(wx.SMALL_FONT)
self.patternBaseline_value = mwx.scrollTextCtrl(
ctrlPanel,
-1,
str(config.massCalculator['patternBaseline']),
multiplier=0.1,
limits=(0, None),
size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternBaseline_value.SetFont(wx.SMALL_FONT)
self.patternBaseline_value.Bind(wx.EVT_TEXT, self.onProfileChanged)
patternShift_label = wx.StaticText(ctrlPanel, -1, "Shift:")
patternShift_label.SetFont(wx.SMALL_FONT)
self.patternShift_value = mwx.scrollTextCtrl(
ctrlPanel,
-1,
"0",
step=0.001,
digits=3,
limits=(-1., 1.),
size=(60, mwx.SMALL_TEXTCTRL_HEIGHT))
self.patternShift_value.SetFont(wx.SMALL_FONT)
self.patternShift_value.Bind(wx.EVT_TEXT, self.onProfileChanged)
self.showPeaks_check = wx.CheckBox(ctrlPanel, -1, "Peaks")
self.showPeaks_check.SetFont(wx.SMALL_FONT)
self.showPeaks_check.SetValue(
config.massCalculator['patternShowPeaks'])
self.showPeaks_check.Bind(wx.EVT_CHECKBOX, self.onProfileChanged)
# pack controls
controls = wx.BoxSizer(wx.HORIZONTAL)
controls.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls.Add(self.patternCollapse_butt, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(10)
controls.Add(patternPeakShape_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.patternPeakShape_choice, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternFwhm_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT,
5)
controls.Add(self.patternFwhm_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternIntensity_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.patternIntensity_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternBaseline_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.patternBaseline_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(patternShift_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
controls.Add(self.patternShift_value, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(20)
controls.Add(self.showPeaks_check, 0, wx.ALIGN_CENTER_VERTICAL)
controls.AddSpacer(mwx.CONTROLBAR_RSPACE)
controls.Fit(ctrlPanel)
ctrlPanel.SetSizer(controls)
# make plot canvas
self.makePatternCanvas()
# pack main
self.patternSizer = wx.BoxSizer(wx.VERTICAL)
self.patternSizer.Add(ctrlPanel, 0, wx.EXPAND, 0)
self.patternSizer.Add(self.patternCanvas, 1, wx.EXPAND)
return self.patternSizer
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self, -1, images.lib['bgrToolbar'], size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.errors_butt = wx.BitmapButton(panel, ID_matchErrors, images.lib['matchErrorsOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.errors_butt.SetToolTip(wx.ToolTip("Error plot"))
self.errors_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.summary_butt = wx.BitmapButton(panel, ID_matchSummary, images.lib['matchSummaryOff'], size=(mwx.TOOLBAR_TOOLSIZE), style=wx.BORDER_NONE)
self.summary_butt.SetToolTip(wx.ToolTip("Match summary"))
self.summary_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make match fields
tolerance_label = wx.StaticText(panel, -1, "Tolerance:")
tolerance_label.SetFont(wx.SMALL_FONT)
self.tolerance_value = wx.TextCtrl(panel, -1, str(config.match['tolerance']), size=(60, -1), validator=mwx.validator('floatPos'))
self.unitsDa_radio = wx.RadioButton(panel, -1, "Da", style=wx.RB_GROUP)
self.unitsDa_radio.SetFont(wx.SMALL_FONT)
self.unitsDa_radio.SetValue(True)
self.unitsDa_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio = wx.RadioButton(panel, -1, "ppm")
self.unitsPpm_radio.SetFont(wx.SMALL_FONT)
self.unitsPpm_radio.Bind(wx.EVT_RADIOBUTTON, self.onUnitsChanged)
self.unitsPpm_radio.SetValue((config.match['units'] == 'ppm'))
self.ignoreCharge_check = wx.CheckBox(panel, -1, "Ignore charge")
self.ignoreCharge_check.SetFont(wx.SMALL_FONT)
self.ignoreCharge_check.SetValue(config.match['ignoreCharge'])
if self.currentModule == 'massfilter':
self.ignoreCharge_check.Disable()
self.match_butt = wx.Button(panel, -1, "Match", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.match_butt.Bind(wx.EVT_BUTTON, self.onMatch)
self.calibrate_butt = wx.Button(panel, -1, "Calibrate", size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.calibrate_butt.Bind(wx.EVT_BUTTON, self.onCalibrate)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.errors_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.summary_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.LEFT, mwx.BUTTON_SIZE_CORRECTION)
sizer.AddSpacer(20)
sizer.Add(tolerance_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.tolerance_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(10)
sizer.Add(self.unitsDa_radio, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
sizer.Add(self.unitsPpm_radio, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(self.ignoreCharge_check, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.match_butt, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 10)
sizer.Add(self.calibrate_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbar'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make buttons
self.image_butt = wx.BitmapButton(panel,
ID_documentExportImage,
images.lib['documentExportImageOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.image_butt.SetToolTip(wx.ToolTip("Export spectrum image"))
self.image_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.peaklist_butt = wx.BitmapButton(
panel,
ID_documentExportPeaklist,
images.lib['documentExportPeaklistOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.peaklist_butt.SetToolTip(wx.ToolTip("Export peak list"))
self.peaklist_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
self.spectrum_butt = wx.BitmapButton(
panel,
ID_documentExportSpectrum,
images.lib['documentExportSpectrumOff'],
size=(mwx.TOOLBAR_TOOLSIZE),
style=wx.BORDER_NONE)
self.spectrum_butt.SetToolTip(wx.ToolTip("Export spectrum data"))
self.spectrum_butt.Bind(wx.EVT_BUTTON, self.onToolSelected)
# make controls
self.export_butt = wx.Button(panel,
-1,
"Export",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.export_butt.Bind(wx.EVT_BUTTON, self.onExport)
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.TOOLBAR_LSPACE)
sizer.Add(self.image_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.Add(self.peaklist_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.LEFT,
mwx.BUTTON_SIZE_CORRECTION)
sizer.Add(self.spectrum_butt, 0, wx.ALIGN_CENTER_VERTICAL | wx.LEFT,
mwx.BUTTON_SIZE_CORRECTION)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.export_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeToolbar(self):
"""Make toolbar."""
# init toolbar
panel = mwx.bgrPanel(self,
-1,
images.lib['bgrToolbar'],
size=(-1, mwx.TOOLBAR_HEIGHT))
# make tools
yAxis_label = wx.StaticText(panel, -1, "MD type:")
yAxis_label.SetFont(wx.SMALL_FONT)
choices = [
'Fractional Mass', 'Mass Defect', 'Relative Mass Defect',
'Kendrick Mass Defect'
]
self.yAxis_choice = wx.Choice(panel,
-1,
choices=choices,
size=(175, mwx.SMALL_CHOICE_HEIGHT))
self.yAxis_choice.Select(1)
choices = ['fraction', 'standard', 'relative', 'kendrick']
if config.massDefectPlot['yAxis'] in choices:
self.yAxis_choice.Select(
choices.index(config.massDefectPlot['yAxis']))
self.yAxis_choice.Bind(wx.EVT_CHOICE, self.onAxisChanged)
nominalMass_label = wx.StaticText(panel, -1, "Nominal mass:")
nominalMass_label.SetFont(wx.SMALL_FONT)
choices = ['Ceil', 'Round', 'Floor']
self.nominalMass_choice = wx.Choice(panel,
-1,
choices=choices,
size=(80, mwx.SMALL_CHOICE_HEIGHT))
self.nominalMass_choice.Select(1)
if config.massDefectPlot['nominalMass'].title() in choices:
self.nominalMass_choice.Select(
choices.index(config.massDefectPlot['nominalMass'].title()))
kendrickFormula_label = wx.StaticText(panel, -1, "Kendrick formula:")
kendrickFormula_label.SetFont(wx.SMALL_FONT)
self.kendrickFormula_value = mwx.formulaCtrl(
panel, -1, config.massDefectPlot['kendrickFormula'], size=(80, -1))
# make buttons
self.plot_butt = wx.Button(panel,
-1,
"Plot",
size=(-1, mwx.SMALL_BUTTON_HEIGHT))
self.plot_butt.Bind(wx.EVT_BUTTON, self.onPlot)
self.onAxisChanged()
# pack elements
sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
sizer.Add(yAxis_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.yAxis_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(nominalMass_label, 0, wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.nominalMass_choice, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(20)
sizer.Add(kendrickFormula_label, 0,
wx.ALIGN_CENTER_VERTICAL | wx.RIGHT, 5)
sizer.Add(self.kendrickFormula_value, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddStretchSpacer()
sizer.AddSpacer(20)
sizer.Add(self.plot_butt, 0, wx.ALIGN_CENTER_VERTICAL)
sizer.AddSpacer(mwx.TOOLBAR_RSPACE)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(sizer, 1, wx.EXPAND)
panel.SetSizer(mainSizer)
mainSizer.Fit(panel)
return panel
def makeQueryPanel(self):
"""Make controls for query."""
# init panels
ctrlPanel = mwx.bgrPanel(self, -1, images.lib['bgrControlbar'], size=(-1, mwx.CONTROLBAR_HEIGHT))
pklPanel = wx.Panel(self, -1)
# make elements
filter_label = wx.StaticText(ctrlPanel, -1, "Remove:")
filter_label.SetFont(wx.SMALL_FONT)
self.filterAnnotations_check = wx.CheckBox(ctrlPanel, -1, "Annotated")
self.filterAnnotations_check.SetFont(wx.SMALL_FONT)
self.filterAnnotations_check.SetValue(config.profound['filterAnnotations'])
self.filterAnnotations_check.Bind(wx.EVT_CHECKBOX, self.onGetPeaklist)
self.filterMatches_check = wx.CheckBox(ctrlPanel, -1, "Matched")
self.filterMatches_check.SetFont(wx.SMALL_FONT)
self.filterMatches_check.SetValue(config.profound['filterMatches'])
self.filterMatches_check.Bind(wx.EVT_CHECKBOX, self.onGetPeaklist)
self.filterUnselected_check = wx.CheckBox(ctrlPanel, -1, "Unselected")
self.filterUnselected_check.SetFont(wx.SMALL_FONT)
self.filterUnselected_check.SetValue(config.profound['filterUnselected'])
self.filterUnselected_check.Bind(wx.EVT_CHECKBOX, self.onGetPeaklist)
self.filterIsotopes_check = wx.CheckBox(ctrlPanel, -1, "Isotopes")
self.filterIsotopes_check.SetFont(wx.SMALL_FONT)
self.filterIsotopes_check.SetValue(config.profound['filterIsotopes'])
self.filterIsotopes_check.Bind(wx.EVT_CHECKBOX, self.onGetPeaklist)
self.filterUnknown_check = wx.CheckBox(ctrlPanel, -1, "Unknown")
self.filterUnknown_check.SetFont(wx.SMALL_FONT)
self.filterUnknown_check.SetValue(config.profound['filterUnknown'])
self.filterUnknown_check.Bind(wx.EVT_CHECKBOX, self.onGetPeaklist)
self.paramQuery_value = wx.TextCtrl(pklPanel, -1, "", size=(300, 300), style=wx.TE_MULTILINE)
self.paramQuery_value.SetFont(wx.SMALL_FONT)
# pack elements
ctrlSizer = wx.BoxSizer(wx.HORIZONTAL)
ctrlSizer.AddSpacer(mwx.CONTROLBAR_LSPACE)
ctrlSizer.Add(filter_label, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
ctrlSizer.Add(self.filterAnnotations_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
ctrlSizer.Add(self.filterMatches_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
ctrlSizer.Add(self.filterUnselected_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
ctrlSizer.Add(self.filterIsotopes_check, 0, wx.ALIGN_CENTER_VERTICAL|wx.RIGHT, 5)
ctrlSizer.Add(self.filterUnknown_check, 0, wx.ALIGN_CENTER_VERTICAL)
ctrlSizer.AddSpacer(mwx.CONTROLBAR_RSPACE)
ctrlSizer.Fit(ctrlPanel)
ctrlPanel.SetSizer(ctrlSizer)
pklSizer = wx.BoxSizer(wx.VERTICAL)
if wx.Platform == '__WXMAC__': pklSizer.AddSpacer(mwx.PANEL_SPACE_MAIN)
pklSizer.Add(self.paramQuery_value, 1, wx.EXPAND|wx.ALIGN_CENTER|wx.LEFT|wx.RIGHT|wx.BOTTOM, mwx.PANEL_SPACE_MAIN)
pklSizer.Fit(pklPanel)
pklPanel.SetSizer(pklSizer)
mainSizer = wx.BoxSizer(wx.VERTICAL)
mainSizer.Add(ctrlPanel, 0, wx.EXPAND|wx.ALIGN_CENTER)
mainSizer.Add(pklPanel, 1, wx.EXPAND|wx.ALIGN_CENTER)
return mainSizer
