Exemplo n.º 1
0
    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
Exemplo n.º 2
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 def makeGUI(self):
     """Make GUI elements."""
     
     staticSizer = wx.StaticBoxSizer(wx.StaticBox(self, -1, ""), wx.VERTICAL)
     
     # make elements
     threshold_label = wx.StaticText(self, -1, "Minimal value:")
     self.threshold_value = wx.TextCtrl(self, -1, "", size=(150, -1), validator=mwx.validator('floatPos'))
     self.threshold_value.Bind(wx.EVT_TEXT, self.onChange)
     
     thresholdType_label = wx.StaticText(self, -1, "Threshold type:")
     choices=['m/z', 'a.i.', 'Intensity', 'Relative Intensity', 's/n']
     self.thresholdType_choice = wx.Choice(self, -1, choices=choices, size=(150, mwx.CHOICE_HEIGHT))
     self.thresholdType_choice.Select(0)
     
     cancel_butt = wx.Button(self, wx.ID_CANCEL, "Cancel")
     delete_butt = wx.Button(self, wx.ID_OK, "Delete")
     delete_butt.Bind(wx.EVT_BUTTON, self.onDelete)
     delete_butt.SetDefault()
     
     # pack elements
     grid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     grid.Add(threshold_label, (0,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     grid.Add(self.threshold_value, (0,1))
     grid.Add(thresholdType_label, (1,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     grid.Add(self.thresholdType_choice, (1,1))
     
     staticSizer.Add(grid, 0, wx.ALL, 5)
     
     buttSizer = wx.BoxSizer(wx.HORIZONTAL)
     buttSizer.Add(cancel_butt, 0, wx.RIGHT, 15)
     buttSizer.Add(delete_butt, 0)
     
     mainSizer = wx.BoxSizer(wx.VERTICAL)
     mainSizer.Add(staticSizer, 0, wx.CENTER|wx.ALL, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(buttSizer, 0, wx.CENTER|wx.LEFT|wx.RIGHT|wx.BOTTOM, mwx.PANEL_SPACE_MAIN)
     
     return mainSizer
Exemplo n.º 3
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    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
Exemplo n.º 4
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    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
Exemplo n.º 5
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    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
Exemplo n.º 6
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 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
Exemplo n.º 7
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 def makeImagePanel(self):
     """Image export panel."""
     
     panel = wx.Panel(self, -1)
     
     # make elements
     imageWidth_label = wx.StaticText(panel, -1, "Width:")
     self.imageWidth_value = wx.TextCtrl(panel, -1, str(config.export['imageWidth']), size=(140, -1), validator=mwx.validator('floatPos'))
     
     imageHeight_label = wx.StaticText(panel, -1, "Height:")
     self.imageHeight_value = wx.TextCtrl(panel, -1, str(config.export['imageHeight']), size=(140, -1), validator=mwx.validator('floatPos'))
     
     self.imageUnits_choice = wx.Choice(panel, -1, choices=['cm', 'in', 'px'], size=(60, mwx.CHOICE_HEIGHT))
     self.imageUnits_choice.SetStringSelection(config.export['imageUnits'])
     
     imageFormat_label = wx.StaticText(panel, -1, "Format:")
     self.imageFormat_choice = wx.Choice(panel, -1, choices=['PNG', 'TIFF', 'JPEG'], size=(140, mwx.CHOICE_HEIGHT))
     self.imageFormat_choice.SetStringSelection(config.export['imageFormat'])
     
     imageResolution_label = wx.StaticText(panel, -1, "Resolution:")
     imageResolutionUnits_label = wx.StaticText(panel, -1, "dpi")
     choices = ['72', '150', '200', '300', '600']
     self.imageResolution_choice = wx.Choice(panel, -1, choices=choices, size=(140, mwx.CHOICE_HEIGHT))
     self.imageResolution_choice.Select(0)
     if str(config.export['imageResolution']) in choices:
         self.imageResolution_choice.Select(choices.index(str(config.export['imageResolution'])))
     self.imageResolution_choice.Bind(wx.EVT_CHOICE, self.onImageResolutionChanged)
     
     imageFontsScale_label = wx.StaticText(panel, -1, "Font scale:")
     self.imageFontsScale_slider = wx.Slider(panel, -1, config.export['imageFontsScale'], 1, 10, size=(140, -1), style=mwx.SLIDER_STYLE)
     self.imageFontsScale_slider.SetTickFreq(1,1)
     
     imageDrawingsScale_label = wx.StaticText(panel, -1, "Line scale:")
     self.imageDrawingsScale_slider = wx.Slider(panel, -1, config.export['imageDrawingsScale'], 1, 10, size=(140, -1), style=mwx.SLIDER_STYLE)
     self.imageDrawingsScale_slider.SetTickFreq(1,1)
     
     # pack elements
     grid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     grid.Add(imageWidth_label, (0,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.imageWidth_value, (0,1), flag=wx.ALIGN_CENTER_VERTICAL)
     grid.Add(self.imageUnits_choice, (0,2), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_LEFT)
     grid.Add(imageHeight_label, (1,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.imageHeight_value, (1,1), flag=wx.ALIGN_CENTER_VERTICAL)
     grid.Add(imageResolution_label, (2,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.imageResolution_choice, (2,1), flag=wx.ALIGN_CENTER_VERTICAL)
     grid.Add(imageResolutionUnits_label, (2,2), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_LEFT)
     grid.Add(imageFontsScale_label, (3,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.imageFontsScale_slider, (3,1), flag=wx.ALIGN_CENTER_VERTICAL)
     grid.Add(imageDrawingsScale_label, (4,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.imageDrawingsScale_slider, (4,1), flag=wx.ALIGN_CENTER_VERTICAL)
     grid.Add(imageFormat_label, (5,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.imageFormat_choice, (5,1), flag=wx.ALIGN_CENTER_VERTICAL)
     
     mainSizer = wx.BoxSizer(wx.VERTICAL)
     mainSizer.Add(grid, 0, wx.ALIGN_CENTER|wx.ALL, mwx.PANEL_SPACE_MAIN)
     
     # fit layout
     mainSizer.Fit(panel)
     panel.SetSizer(mainSizer)
     
     return panel
Exemplo n.º 8
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 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
Exemplo n.º 9
0
    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
Exemplo n.º 10
0
 def makeSpectrumPanel(self):
     """Spectrum info panel."""
     
     panel = wx.Panel(self, -1)
     
     # make elements
     scanNumber_label = wx.StaticText(panel, -1, "Scan ID:")
     self.scanNumber_value = wx.TextCtrl(panel, -1, "", size=(180, -1), validator=mwx.validator('intPos'))
     self.scanNumber_value.Bind(wx.EVT_TEXT, self.onSave)
     
     retentionTime_label = wx.StaticText(panel, -1, "Retention time:")
     self.retentionTime_value = wx.TextCtrl(panel, -1, "", size=(180, -1), validator=mwx.validator('floatPos'))
     self.retentionTime_value.Bind(wx.EVT_TEXT, self.onSave)
     
     msLevel_label = wx.StaticText(panel, -1, "MS level:")
     self.msLevel_value = wx.TextCtrl(panel, -1, "", size=(180, -1), validator=mwx.validator('intPos'))
     self.msLevel_value.Bind(wx.EVT_TEXT, self.onSave)
     
     precursorMZ_label = wx.StaticText(panel, -1, "Precursor m/z:")
     self.precursorMZ_value = wx.TextCtrl(panel, -1, "", size=(180, -1), validator=mwx.validator('floatPos'))
     self.precursorMZ_value.Bind(wx.EVT_TEXT, self.onSave)
     
     precursorCharge_label = wx.StaticText(panel, -1, "Precursor charge:")
     self.precursorCharge_value = wx.TextCtrl(panel, -1, "", size=(180, -1), validator=mwx.validator('int'))
     self.precursorCharge_value.Bind(wx.EVT_TEXT, self.onSave)
     
     polarity_label = wx.StaticText(panel, -1, "Polarity:")
     self.polarity_choice = wx.Choice(panel, -1, choices=['Unknown', 'Positive', 'Negative'], size=(180, mwx.SMALL_CHOICE_HEIGHT))
     self.polarity_choice.Bind(wx.EVT_CHOICE, self.onSave)
     
     points_label = wx.StaticText(panel, -1, "Spectrum points:")
     self.points_value = wx.TextCtrl(panel, -1, "", size=(180, -1))
     self.points_value.Enable(False)
     
     peaklist_label = wx.StaticText(panel, -1, "Peak list:")
     self.peaklist_value = wx.TextCtrl(panel, -1, "", size=(180, -1))
     self.peaklist_value.Enable(False)
     
     # pack elements
     grid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     grid.Add(scanNumber_label, (0,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.scanNumber_value, (0,1))
     grid.Add(retentionTime_label, (1,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.retentionTime_value, (1,1))
     grid.Add(msLevel_label, (2,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.msLevel_value, (2,1))
     grid.Add(precursorMZ_label, (3,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.precursorMZ_value, (3,1))
     grid.Add(precursorCharge_label, (4,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.precursorCharge_value, (4,1))
     grid.Add(polarity_label, (5,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.polarity_choice, (5,1))
     grid.Add(points_label, (6,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.points_value, (6,1))
     grid.Add(peaklist_label, (7,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     grid.Add(self.peaklist_value, (7,1))
     
     mainSizer = wx.BoxSizer(wx.VERTICAL)
     mainSizer.Add(grid, 0, wx.ALIGN_CENTER|wx.ALL, mwx.PANEL_SPACE_MAIN)
     
     # fit layout
     mainSizer.Fit(panel)
     panel.SetSizer(mainSizer)
     
     return panel
Exemplo n.º 11
0
 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
Exemplo n.º 12
0
    def makeImagePanel(self):
        """Image export panel."""

        panel = wx.Panel(self, -1)

        # make elements
        imageWidth_label = wx.StaticText(panel, -1, "Width:")
        self.imageWidth_value = wx.TextCtrl(
            panel,
            -1,
            str(config.export['imageWidth']),
            size=(140, -1),
            validator=mwx.validator('floatPos'))

        imageHeight_label = wx.StaticText(panel, -1, "Height:")
        self.imageHeight_value = wx.TextCtrl(
            panel,
            -1,
            str(config.export['imageHeight']),
            size=(140, -1),
            validator=mwx.validator('floatPos'))

        self.imageUnits_choice = wx.Choice(panel,
                                           -1,
                                           choices=['cm', 'in', 'px'],
                                           size=(60, mwx.CHOICE_HEIGHT))
        self.imageUnits_choice.SetStringSelection(config.export['imageUnits'])

        imageFormat_label = wx.StaticText(panel, -1, "Format:")
        self.imageFormat_choice = wx.Choice(panel,
                                            -1,
                                            choices=['PNG', 'TIFF', 'JPEG'],
                                            size=(140, mwx.CHOICE_HEIGHT))
        self.imageFormat_choice.SetStringSelection(
            config.export['imageFormat'])

        imageResolution_label = wx.StaticText(panel, -1, "Resolution:")
        imageResolutionUnits_label = wx.StaticText(panel, -1, "dpi")
        choices = ['72', '150', '200', '300', '600']
        self.imageResolution_choice = wx.Choice(panel,
                                                -1,
                                                choices=choices,
                                                size=(140, mwx.CHOICE_HEIGHT))
        self.imageResolution_choice.Select(0)
        if str(config.export['imageResolution']) in choices:
            self.imageResolution_choice.Select(
                choices.index(str(config.export['imageResolution'])))
        self.imageResolution_choice.Bind(wx.EVT_CHOICE,
                                         self.onImageResolutionChanged)

        imageFontsScale_label = wx.StaticText(panel, -1, "Font scale:")
        self.imageFontsScale_slider = wx.Slider(
            panel,
            -1,
            config.export['imageFontsScale'],
            1,
            10,
            size=(140, -1),
            style=mwx.SLIDER_STYLE)
        self.imageFontsScale_slider.SetTickFreq(1, 1)

        imageDrawingsScale_label = wx.StaticText(panel, -1, "Line scale:")
        self.imageDrawingsScale_slider = wx.Slider(
            panel,
            -1,
            config.export['imageDrawingsScale'],
            1,
            10,
            size=(140, -1),
            style=mwx.SLIDER_STYLE)
        self.imageDrawingsScale_slider.SetTickFreq(1, 1)

        # pack elements
        grid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
        grid.Add(imageWidth_label, (0, 0),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_RIGHT)
        grid.Add(self.imageWidth_value, (0, 1), flag=wx.ALIGN_CENTER_VERTICAL)
        grid.Add(self.imageUnits_choice, (0, 2),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_LEFT)
        grid.Add(imageHeight_label, (1, 0),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_RIGHT)
        grid.Add(self.imageHeight_value, (1, 1), flag=wx.ALIGN_CENTER_VERTICAL)
        grid.Add(imageResolution_label, (2, 0),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_RIGHT)
        grid.Add(self.imageResolution_choice, (2, 1),
                 flag=wx.ALIGN_CENTER_VERTICAL)
        grid.Add(imageResolutionUnits_label, (2, 2),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_LEFT)
        grid.Add(imageFontsScale_label, (3, 0),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_RIGHT)
        grid.Add(self.imageFontsScale_slider, (3, 1),
                 flag=wx.ALIGN_CENTER_VERTICAL)
        grid.Add(imageDrawingsScale_label, (4, 0),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_RIGHT)
        grid.Add(self.imageDrawingsScale_slider, (4, 1),
                 flag=wx.ALIGN_CENTER_VERTICAL)
        grid.Add(imageFormat_label, (5, 0),
                 flag=wx.ALIGN_CENTER_VERTICAL | wx.ALIGN_RIGHT)
        grid.Add(self.imageFormat_choice, (5, 1),
                 flag=wx.ALIGN_CENTER_VERTICAL)

        mainSizer = wx.BoxSizer(wx.VERTICAL)
        mainSizer.Add(grid, 0, wx.ALIGN_CENTER | wx.ALL, mwx.PANEL_SPACE_MAIN)

        # fit layout
        mainSizer.Fit(panel)
        panel.SetSizer(mainSizer)

        return panel
Exemplo n.º 13
0
 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
Exemplo n.º 14
0
    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
Exemplo n.º 15
0
 def makeGUI(self):
     """Make GUI elements."""
     
     labelBox = wx.StaticBoxSizer(wx.StaticBox(self, -1, ""), wx.HORIZONTAL)
     formulaBox = wx.StaticBoxSizer(wx.StaticBox(self, -1, ""), wx.HORIZONTAL)
     
     # make elements
     label_label = wx.StaticText(self, -1, "Label:", style=wx.ALIGN_RIGHT)
     self.label_value = wx.TextCtrl(self, -1, '', size=(300,-1), style=wx.TE_PROCESS_ENTER)
     self.label_value.Bind(wx.EVT_TEXT_ENTER, self.onOK)
     
     formula_label = wx.StaticText(self, -1, "Formula:", style=wx.ALIGN_RIGHT)
     self.formula_value = mwx.formulaCtrl(self, -1, '', size=(300,-1), style=wx.TE_PROCESS_ENTER)
     self.formula_value.Bind(wx.EVT_TEXT, self.onFormula)
     self.formula_value.Bind(wx.EVT_TEXT_ENTER, self.onOK)
     
     theoreticalMZ_label = wx.StaticText(self, -1, "Theoretical m/z:", style=wx.ALIGN_RIGHT)
     self.theoreticalMZ_value = wx.TextCtrl(self, -1, '', size=(120,-1), style=wx.TE_PROCESS_ENTER, validator=mwx.validator('float'))
     self.theoreticalMZ_value.Bind(wx.EVT_TEXT_ENTER, self.onOK)
     
     charge_label = wx.StaticText(self, -1, " z:")
     self.charge_value = wx.TextCtrl(self, -1, '', size=(30,-1), style=wx.TE_PROCESS_ENTER, validator=mwx.validator('int'))
     self.charge_value.Bind(wx.EVT_TEXT, self.onFormula)
     self.charge_value.Bind(wx.EVT_TEXT_ENTER, self.onOK)
     
     self.radical_check = wx.CheckBox(self, -1, "M*", size=(50,-1))
     self.radical_check.Bind(wx.EVT_CHECKBOX, self.onMassType)
     
     self.mzByUser_radio = wx.RadioButton(self, -1, "Manual", style=wx.RB_GROUP)
     self.mzByUser_radio.SetFont(wx.SMALL_FONT)
     self.mzByUser_radio.Bind(wx.EVT_RADIOBUTTON, self.onMassType)
     self.mzByUser_radio.SetValue(True)
     
     self.mzByFormulaMo_radio = wx.RadioButton(self, -1, "Mo")
     self.mzByFormulaMo_radio.SetFont(wx.SMALL_FONT)
     self.mzByFormulaMo_radio.Bind(wx.EVT_RADIOBUTTON, self.onMassType)
     
     self.mzByFormulaAv_radio = wx.RadioButton(self, -1, "Av")
     self.mzByFormulaAv_radio.SetFont(wx.SMALL_FONT)
     self.mzByFormulaAv_radio.Bind(wx.EVT_RADIOBUTTON, self.onMassType)
     
     buttons = self.makeButtons()
     
     # pack elements
     labelBox.Add(label_label, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 5)
     labelBox.Add(self.label_value, 1, wx.TOP|wx.RIGHT|wx.BOTTOM|wx.ALIGN_CENTER_VERTICAL, 10)
     
     formulaGrid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     formulaGrid.Add(formula_label, (0,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     formulaGrid.Add(self.formula_value, (0,1), (1,7), flag=wx.EXPAND)
     formulaGrid.Add(theoreticalMZ_label, (1,0), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     formulaGrid.Add(self.theoreticalMZ_value, (1,1))
     formulaGrid.Add(charge_label, (1,2), flag=wx.ALIGN_CENTER_VERTICAL|wx.ALIGN_RIGHT)
     formulaGrid.Add(self.charge_value, (1,3))
     formulaGrid.Add(self.radical_check, (1,4), flag=wx.ALIGN_CENTER_VERTICAL)
     formulaGrid.Add(self.mzByUser_radio, (1,5), flag=wx.ALIGN_CENTER_VERTICAL)
     formulaGrid.Add(self.mzByFormulaMo_radio, (1,6), flag=wx.ALIGN_CENTER_VERTICAL)
     formulaGrid.Add(self.mzByFormulaAv_radio, (1,7), flag=wx.ALIGN_CENTER_VERTICAL)
     formulaGrid.AddGrowableCol(1)
     
     formulaBox.Add(formulaGrid, 1, wx.EXPAND|wx.ALL, 10)
     
     mainSizer = wx.BoxSizer(wx.VERTICAL)
     mainSizer.Add(labelBox, 0, wx.EXPAND|wx.CENTER|wx.ALL, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(formulaBox, 0, wx.EXPAND|wx.CENTER|wx.LEFT|wx.RIGHT|wx.BOTTOM, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(buttons, 0, wx.CENTER|wx.LEFT|wx.RIGHT|wx.BOTTOM, mwx.PANEL_SPACE_MAIN)
     
     return mainSizer
Exemplo n.º 16
0
    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
Exemplo n.º 17
0
    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
Exemplo n.º 18
0
    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
Exemplo n.º 19
0
 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
Exemplo n.º 20
0
 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
Exemplo n.º 21
0
 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
Exemplo n.º 22
0
 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
Exemplo n.º 23
0
 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
Exemplo n.º 24
0
 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
Exemplo n.º 25
0
    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
Exemplo n.º 26
0
 def makePMFPanel(self):
     """Make controls for search form panel."""
     
     panel = wx.Panel(self, -1)
     
     # make info elements
     paramSearchTitle_label = wx.StaticText(panel, -1, "Title:")
     self.paramTitle_value = wx.TextCtrl(panel, -1, "", size=(250, -1))
     
     # make sequence elements
     paramTaxonomy_label = wx.StaticText(panel, -1, "Taxonomy:")
     self.paramTaxonomy_choice = wx.Choice(panel, -1, choices=[], size=(300, mwx.CHOICE_HEIGHT))
     
     paramDatabase_label = wx.StaticText(panel, -1, "Database:")
     self.paramDatabase_choice = wx.Choice(panel, -1, choices=[], size=(150, mwx.CHOICE_HEIGHT))
     
     paramEnzyme_label = wx.StaticText(panel, -1, " Enzyme:")
     self.paramEnzyme_choice = wx.Choice(panel, -1, choices=[], size=(130, mwx.CHOICE_HEIGHT))
     
     paramMiscleavages_label = wx.StaticText(panel, -1, " Miscl.:")
     self.paramMiscleavages_choice = wx.Choice(panel, -1, choices=['0','1','2','3','4'], size=(50, mwx.CHOICE_HEIGHT))
     self.paramMiscleavages_choice.SetStringSelection(str(config.profound['miscleavages']))
     
     # make modifications elements
     self.paramFixedMods_label = wx.StaticText(panel, -1, "Complete modifications:")
     self.paramFixedMods_listbox = wx.ListBox(panel, -1, size=(200, 100), choices=[], style=wx.LB_EXTENDED)
     self.paramFixedMods_listbox.SetFont(wx.SMALL_FONT)
     self.paramFixedMods_listbox.Bind(wx.EVT_LISTBOX, self.onModificationSelected)
     
     self.paramVariableMods_label = wx.StaticText(panel, -1, "Partial modifications:")
     self.paramVariableMods_listbox = wx.ListBox(panel, -1, size=(200, 100), choices=[], style=wx.LB_EXTENDED)
     self.paramVariableMods_listbox.SetFont(wx.SMALL_FONT)
     self.paramVariableMods_listbox.Bind(wx.EVT_LISTBOX, self.onModificationSelected)
     
     # make masses elements
     paramProteinMass_label = wx.StaticText(panel, -1, "Protein mass:")
     self.paramProteinMassLow_value = wx.TextCtrl(panel, -1, "0", size=(50, -1), validator=mwx.validator('floatPos'))
     self.paramProteinMassHigh_value = wx.TextCtrl(panel, -1, "300", size=(50, -1), validator=mwx.validator('floatPos'))
     paramProteinMass_dash = wx.StaticText(panel, -1, "-")
     paramProteinMassUnits_label = wx.StaticText(panel, -1, "kDa")
     
     paramProteinPI_label = wx.StaticText(panel, -1, "Protein pI:")
     self.paramProteinPILow_value = wx.TextCtrl(panel, -1, "0", size=(50, -1), validator=mwx.validator('floatPos'))
     self.paramProteinPIHigh_value = wx.TextCtrl(panel, -1, "14", size=(50, -1), validator=mwx.validator('floatPos'))
     paramProteinPI_dash = wx.StaticText(panel, -1, "-")
     
     paramPeptideTol_label = wx.StaticText(panel, -1, "Peptide tolerance:")
     self.paramPeptideTol_value = wx.TextCtrl(panel, -1, str(config.profound['peptideTol']), size=(50, -1), validator=mwx.validator('floatPos'))
     self.paramPeptideTolUnits_choice = wx.Choice(panel, -1, choices=['Da','%','ppm'], size=(80, mwx.CHOICE_HEIGHT))
     self.paramPeptideTolUnits_choice.SetStringSelection(config.profound['peptideTolUnits'])
     
     paramMassType_label = wx.StaticText(panel, -1, "Mass type:")
     self.paramMassType_choice = wx.Choice(panel, -1, choices=['Monoisotopic', 'Average'], size=(150, mwx.CHOICE_HEIGHT))
     self.paramMassType_choice.SetStringSelection(config.profound['massType'])
     
     paramCharge_label = wx.StaticText(panel, -1, "Charge:")
     self.paramCharge_choice = wx.Choice(panel, -1, choices=['MH+','M'], size=(150, mwx.CHOICE_HEIGHT))
     self.paramCharge_choice.SetStringSelection(config.profound['charge'])
     
     # results elements
     self.paramExpectation_radio = wx.RadioButton(panel, -1, "Expectation value:", style=wx.RB_GROUP)
     self.paramExpectation_value = wx.TextCtrl(panel, -1, str(config.profound['expectation']), size=(60, -1), validator=mwx.validator('floatPos'))
     if config.profound['ranking'] == 'expect':
         self.paramExpectation_radio.SetValue(True)
     
     self.paramZscore_radio = wx.RadioButton(panel, -1, "Z Score candidates:")
     self.paramCandidates_value = wx.TextCtrl(panel, -1, str(config.profound['candidates']), size=(60, -1), validator=mwx.validator('floatPos'))
     if config.profound['ranking'] == 'zscore':
         self.paramZscore_radio.SetValue(True)
     
     # pack elements
     infoGrid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     infoGrid.Add(paramSearchTitle_label, (0,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     infoGrid.Add(self.paramTitle_value, (0,1), flag=wx.EXPAND)
     infoGrid.AddGrowableCol(1)
     
     sequenceGrid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     sequenceGrid.Add(paramTaxonomy_label, (0,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     sequenceGrid.Add(self.paramTaxonomy_choice, (0,1), (1,5), flag=wx.EXPAND)
     sequenceGrid.Add(paramDatabase_label, (1,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     sequenceGrid.Add(self.paramDatabase_choice, (1,1), flag=wx.EXPAND)
     sequenceGrid.Add(paramEnzyme_label, (1,2), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     sequenceGrid.Add(self.paramEnzyme_choice, (1,3), flag=wx.EXPAND)
     sequenceGrid.Add(paramMiscleavages_label, (1,4), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     sequenceGrid.Add(self.paramMiscleavages_choice, (1,5))
     sequenceGrid.AddGrowableCol(1)
     sequenceGrid.AddGrowableCol(3)
     
     modsGrid = wx.GridBagSizer(5, 20)
     modsGrid.Add(self.paramFixedMods_label, (0,0), flag=wx.ALIGN_CENTER_VERTICAL)
     modsGrid.Add(self.paramVariableMods_label, (0,1), flag=wx.ALIGN_CENTER_VERTICAL)
     modsGrid.Add(self.paramFixedMods_listbox, (1,0), flag=wx.EXPAND)
     modsGrid.Add(self.paramVariableMods_listbox, (1,1), flag=wx.EXPAND)
     modsGrid.AddGrowableCol(0)
     modsGrid.AddGrowableCol(1)
     
     massesGrid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     massesGrid.Add(paramProteinMass_label, (0,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramProteinMassLow_value, (0,1), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(paramProteinMass_dash, (0,2), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramProteinMassHigh_value, (0,3), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(paramProteinMassUnits_label, (0,4), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(paramProteinPI_label, (1,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramProteinPILow_value, (1,1), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(paramProteinPI_dash, (1,2), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramProteinPIHigh_value, (1,3), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(paramPeptideTol_label, (2,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramPeptideTol_value, (2,1), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramPeptideTolUnits_choice, (2,3), (1,2), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(paramMassType_label, (0,5), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramMassType_choice, (0,6), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(paramCharge_label, (1,5), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     massesGrid.Add(self.paramCharge_choice, (1,6), flag=wx.ALIGN_CENTER_VERTICAL)
     massesGrid.AddGrowableCol(4)
     
     resultsGrid = wx.GridBagSizer(mwx.GRIDBAG_VSPACE, mwx.GRIDBAG_HSPACE)
     resultsGrid.Add(self.paramExpectation_radio, (0,0), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     resultsGrid.Add(self.paramExpectation_value, (0,1), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     resultsGrid.Add(self.paramZscore_radio, (0,3), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     resultsGrid.Add(self.paramCandidates_value, (0,4), flag=wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL)
     resultsGrid.AddGrowableCol(2)
     
     mainSizer = wx.BoxSizer(wx.VERTICAL)
     mainSizer.Add(infoGrid, 0, wx.EXPAND|wx.ALL, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(wx.StaticLine(panel), 0, wx.EXPAND|wx.LEFT|wx.RIGHT, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(sequenceGrid, 0, wx.EXPAND|wx.ALL, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(wx.StaticLine(panel), 0, wx.EXPAND|wx.LEFT|wx.RIGHT, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(modsGrid, 0, wx.EXPAND|wx.ALL, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(wx.StaticLine(panel), 0, wx.EXPAND|wx.LEFT|wx.RIGHT, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(massesGrid, 0, wx.EXPAND|wx.ALL, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(wx.StaticLine(panel), 0, wx.EXPAND|wx.LEFT|wx.RIGHT, mwx.PANEL_SPACE_MAIN)
     mainSizer.Add(resultsGrid, 0, wx.EXPAND|wx.ALL, mwx.PANEL_SPACE_MAIN)
     
     # fit layout
     mainSizer.Fit(panel)
     panel.SetSizer(mainSizer)
     
     return panel