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📄 wxpychemshell.py

📁 PyChem是用Python语言编写的多元变量分析软件。它包括一个前端图形界面用于管理和保存试验数据
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              self.OnCbplscrepuntilCheckbox)

        self.stPlscMaxFac = wxStaticTextCtrl(caption='Max. factors',
              id=wxID_WXPYCHEMSHELLSTPLSCMAXFAC, name='stPlscMaxFac',
              parent=self.swPlscParams, pos=wxPoint(208, 86), size=wxSize(32,
              21), style=0, value='2')
        self.stPlscMaxFac.SetCaptionAlignment(wxLEFT)
        self.stPlscMaxFac.SetToolTipString('Maximum number of PLS factors')

        self.stPlscSavePer = wxStaticTextCtrl(caption='',
              id=wxID_WXPYCHEMSHELLSTPLSCSAVEPER, name='stPlscSavePer',
              parent=self.swPlscParams, pos=wxPoint(56, 122), size=wxSize(32,
              21), style=0, value='10')
        self.stPlscSavePer.SetCaptionAlignment(wxLEFT)
        self.stPlscSavePer.SetToolTipString('Percentage of top results to save')
        self.stPlscSavePer.Show(False)

        self.cbPlscSavePer = wxCheckBox(id=wxID_WXPYCHEMSHELLCBPLSCSAVEPER,
              label='', name='cbPlscSavePer', parent=self.swPlscParams,
              pos=wxPoint(16, 122), size=wxSize(16, 16), style=0)
        self.cbPlscSavePer.SetValue(False)
        self.cbPlscSavePer.SetToolTipString('')
        self.cbPlscSavePer.SetBackgroundColour(wxColour(167, 167, 243))
        self.cbPlscSavePer.Show(False)
        EVT_CHECKBOX(self.cbPlscSavePer, wxID_WXPYCHEMSHELLCBPLSCSAVEPER,
              self.OnCbplscsaveperCheckbox)

        self.swDfaParams = wxSashWindow(id=wxID_WXPYCHEMSHELLSWDFAPARAMS,
              name='swDfaParams', parent=self.plDFA, pos=wxPoint(769, 0),
              size=wxSize(250, 632),
              style=wxTAB_TRAVERSAL | wxCLIP_CHILDREN | wxSW_3D)
        self.swDfaParams.SetBackgroundColour(wxColour(167, 167, 243))
        self.swDfaParams.SetToolTipString('')

        self.swDfaGrpDistPlot = wxSashWindow(id=wxID_WXPYCHEMSHELLSWDFAGRPDISTPLOT,
              name='swDfaGrpDistPlot', parent=self.plDFA, pos=wxPoint(0, 0),
              size=wxSize(383, 304), style=wxCLIP_CHILDREN | wxSW_3D)

        self.swDfaOptPlot = wxSashWindow(id=wxID_WXPYCHEMSHELLSWDFAOPTPLOT,
              name='swDfaOptPlot', parent=self.plDFA, pos=wxPoint(384, 0),
              size=wxSize(384, 304), style=wxCLIP_CHILDREN | wxSW_3D)

        self.swDfaModPlot = wxSashWindow(id=wxID_WXPYCHEMSHELLSWDFAMODPLOT,
              name='swDfaModPlot', parent=self.plDFA, pos=wxPoint(2, 304),
              size=wxSize(382, 328), style=wxCLIP_CHILDREN | wxSW_3D)

        self.swDfaFreqPlot = wxSashWindow(id=wxID_WXPYCHEMSHELLSWDFAFREQPLOT,
              name='swDfaFreqPlot', parent=self.plDFA, pos=wxPoint(384, 304),
              size=wxSize(384, 328), style=wxCLIP_CHILDREN | wxSW_3D)

        self.sbDfaParams = wxStaticBox(id=wxID_WXPYCHEMSHELLSBDFAPARAMS,
              label='GA Parameters', name='sbDfaParams',
              parent=self.swDfaParams, pos=wxPoint(4, 4), size=wxSize(241, 156),
              style=0)
        self.sbDfaParams.SetToolTipString('')

        self.sbDfaResults = wxStaticBox(id=wxID_WXPYCHEMSHELLSBDFARESULTS,
              label='GA Results List', name='sbDfaResults',
              parent=self.swDfaParams, pos=wxPoint(4, 200), size=wxSize(241,
              416), style=0)
        self.sbDfaResults.SetToolTipString('')

        self.btnRunDfa = wxGenButton(ID=wxID_WXPYCHEMSHELLBTNRUNDFA,
              label='Run GA-DFA', name='btnRunDfa', parent=self.swDfaParams,
              pos=wxPoint(8, 168), size=wxSize(112, 25), style=0)
        self.btnRunDfa.SetToolTipString('')
        self.btnRunDfa.Enable(False)
        EVT_BUTTON(self.btnRunDfa, wxID_WXPYCHEMSHELLBTNRUNDFA,
              self.OnBtnrundfaButton)

        self.stDfaVarsFrom = wxStaticTextCtrl(caption='No. vars. from',
              id=wxID_WXPYCHEMSHELLSTDFAVARSFROM, name='stDfaVarsFrom',
              parent=self.swDfaParams, pos=wxPoint(80, 20), size=wxSize(32, 21),
              style=0, value='3')
        self.stDfaVarsFrom.SetCaptionAlignment(wxLEFT)
        self.stDfaVarsFrom.SetToolTipString('Variable range from')
        self.stDfaVarsFrom.SetFont(wxFont(8, wxSWISS, wxNORMAL, wxNORMAL, False,
              'MS Shell Dlg'))

        self.stDfaVarsTo = wxStaticTextCtrl(caption='No. vars to',
              id=wxID_WXPYCHEMSHELLSTDFAVARSTO, name='stDfaVarsTo',
              parent=self.swDfaParams, pos=wxPoint(208, 20), size=wxSize(32,
              21), style=0, value='3')
        self.stDfaVarsTo.SetCaptionAlignment(wxLEFT)
        self.stDfaVarsTo.SetToolTipString('Variable range to')
        EVT_KILL_FOCUS(self.stDfaVarsTo, self.OnStplscvartoKillFocus)

        self.stDfaNoInds = wxStaticTextCtrl(caption='No. inds.',
              id=wxID_WXPYCHEMSHELLSTDFANOINDS, name='stDfaNoInds',
              parent=self.swDfaParams, pos=wxPoint(80, 42), size=wxSize(32, 21),
              style=0, value='5')
        self.stDfaNoInds.SetCaptionAlignment(wxLEFT)
        self.stDfaNoInds.SetToolTipString('Number of individuals')

        self.stDfaNoRuns = wxStaticTextCtrl(caption='No. runs',
              id=wxID_WXPYCHEMSHELLSTDFANORUNS, name='stDfaNoRuns',
              parent=self.swDfaParams, pos=wxPoint(208, 42), size=wxSize(32,
              21), style=0, value='1')
        self.stDfaNoRuns.SetCaptionAlignment(wxLEFT)
        self.stDfaNoRuns.Enable(True)
        self.stDfaNoRuns.SetBackgroundColour(wxColour(255, 255, 255))
        self.stDfaNoRuns.SetToolTipString('Number of independent GA runs')

        self.stDfaXoverRate = wxStaticTextCtrl(caption='Xover rate',
              id=wxID_WXPYCHEMSHELLSTDFAXOVERRATE, name='stDfaXoverRate',
              parent=self.swDfaParams, pos=wxPoint(80, 64), size=wxSize(32, 21),
              style=0, value='0.8')
        self.stDfaXoverRate.SetCaptionAlignment(wxLEFT)
        self.stDfaXoverRate.SetToolTipString('Crossover rate')

        self.cbDfaXover = wxCheckBox(id=wxID_WXPYCHEMSHELLCBDFAXOVER, label='',
              name='cbDfaXover', parent=self.swDfaParams, pos=wxPoint(8, 64),
              size=wxSize(16, 16), style=0)
        self.cbDfaXover.SetValue(True)
        self.cbDfaXover.SetToolTipString('')
        self.cbDfaXover.SetBackgroundColour(wxColour(167, 167, 243))

        self.stDfaMutRate = wxStaticTextCtrl(caption='Mut. rate',
              id=wxID_WXPYCHEMSHELLSTDFAMUTRATE, name='stDfaMutRate',
              parent=self.swDfaParams, pos=wxPoint(208, 64), size=wxSize(32,
              21), style=0, value='0.4')
        self.stDfaMutRate.SetCaptionAlignment(wxLEFT)
        self.stDfaMutRate.SetToolTipString('Mutation rate')

        self.cbDfaMut = wxCheckBox(id=wxID_WXPYCHEMSHELLCBDFAMUT, label='',
              name='cbDfaMut', parent=self.swDfaParams, pos=wxPoint(128, 64),
              size=wxSize(16, 16), style=0)
        self.cbDfaMut.SetValue(True)
        self.cbDfaMut.SetToolTipString('')
        self.cbDfaMut.SetBackgroundColour(wxColour(167, 167, 243))

        self.stDfaInsRate = wxStaticTextCtrl(caption='Insert. rate',
              id=wxID_WXPYCHEMSHELLSTDFAINSRATE, name='stDfaInsRate',
              parent=self.swDfaParams, pos=wxPoint(80, 86), size=wxSize(32, 21),
              style=0, value='0.8')
        self.stDfaInsRate.SetCaptionAlignment(wxLEFT)
        self.stDfaInsRate.SetToolTipString('Insertion rate')

        self.stDfaMaxDfs = wxStaticTextCtrl(caption='Max. DFs',
              id=wxID_WXPYCHEMSHELLSTDFAMAXDFS, name='stDfaMaxDfs',
              parent=self.swDfaParams, pos=wxPoint(208, 86), size=wxSize(32,
              21), style=0, value='3')
        self.stDfaMaxDfs.SetCaptionAlignment(wxLEFT)
        self.stDfaMaxDfs.SetToolTipString('Maximum number of discriminant functions')

        self.stDfaMaxGen = wxStaticTextCtrl(caption='Max. gen.',
              id=wxID_WXPYCHEMSHELLSTDFAMAXGEN, name='stDfaMaxGen',
              parent=self.swDfaParams, pos=wxPoint(80, 108), size=wxSize(32,
              21), style=0, value='4')
        self.stDfaMaxGen.SetCaptionAlignment(wxLEFT)
        self.stDfaMaxGen.SetToolTipString('Maximum generations')

        self.cbDfaMaxGen = wxCheckBox(id=wxID_WXPYCHEMSHELLCBDFAMAXGEN,
              label='', name='cbDfaMaxGen', parent=self.swDfaParams,
              pos=wxPoint(8, 108), size=wxSize(16, 16), style=0)
        self.cbDfaMaxGen.SetValue(True)
        self.cbDfaMaxGen.SetToolTipString('')
        self.cbDfaMaxGen.SetBackgroundColour(wxColour(167, 167, 243))
        self.cbDfaMaxGen.Show(False)
        EVT_CHECKBOX(self.cbDfaMaxGen, wxID_WXPYCHEMSHELLCBDFAMAXGEN,
              self.OnCbdfamaxgenCheckbox)

        self.stDfaRepUntil = wxStaticTextCtrl(caption='Rep. until',
              id=wxID_WXPYCHEMSHELLSTDFAREPUNTIL, name='stDfaRepUntil',
              parent=self.swDfaParams, pos=wxPoint(208, 108), size=wxSize(32,
              21), style=0, value='20')
        self.stDfaRepUntil.SetCaptionAlignment(wxLEFT)
        self.stDfaRepUntil.Enable(True)
        self.stDfaRepUntil.SetBackgroundColour(wxColour(255, 255, 255))
        self.stDfaRepUntil.SetToolTipString('Repeat generations until')

        self.cbDfaRepUntil = wxCheckBox(id=wxID_WXPYCHEMSHELLCBDFAREPUNTIL,
              label='', name='cbDfaRepUntil', parent=self.swDfaParams,
              pos=wxPoint(128, 108), size=wxSize(16, 16), style=0)
        self.cbDfaRepUntil.SetValue(False)
        self.cbDfaRepUntil.SetToolTipString('')
        self.cbDfaRepUntil.SetBackgroundColour(wxColour(167, 167, 243))

        self.stDfaSavePc = wxStaticTextCtrl(caption='',
              id=wxID_WXPYCHEMSHELLSTDFASAVEPC, name='stDfaSavePc',
              parent=self.swDfaParams, pos=wxPoint(56, 122), size=wxSize(32,
              21), style=0, value='10')
        self.stDfaSavePc.SetCaptionAlignment(wxLEFT)
        self.stDfaSavePc.SetToolTipString('Percentage of top results to save')
        self.stDfaSavePc.Show(False)

        self.cbDfaSavePc = wxCheckBox(id=wxID_WXPYCHEMSHELLCBDFASAVEPC,
              label='', name='cbDfaSavePc', parent=self.swDfaParams,
              pos=wxPoint(24, 122), size=wxSize(16, 16), style=0)
        self.cbDfaSavePc.SetValue(False)
        self.cbDfaSavePc.SetToolTipString('')
        self.cbDfaSavePc.SetBackgroundColour(wxColour(167, 167, 243))
        self.cbDfaSavePc.Show(False)
        EVT_CHECKBOX(self.cbDfaSavePc, wxID_WXPYCHEMSHELLCBDFASAVEPC,
              self.OnCddfasavepcCheckbox)

        self.plSpectra = wxPanel(id=wxID_WXPYCHEMSHELLPLSPECTRA,
              name='plSpectra', parent=self.nbMain, pos=wxPoint(0, 0),
              size=wxSize(1018, 618), style=wxTAB_TRAVERSAL)

        self.swSpectra1 = wxSashWindow(id=wxID_WXPYCHEMSHELLSWSPECTRA1,
              name='swSpectra1', parent=self.plSpectra, pos=wxPoint(745, 0),
              size=wxSize(272, 328), style=wxCLIP_CHILDREN | wxSW_3D)
        self.swSpectra1.SetBackgroundColour(wxColour(167, 167, 243))
        self.swSpectra1.SetToolTipString('')

        self.swSpectra2 = wxSashWindow(id=wxID_WXPYCHEMSHELLSWSPECTRA2,
              name='swSpectra2', parent=self.plSpectra, pos=wxPoint(745, 328),
              size=wxSize(272, 176), style=wxCLIP_CHILDREN | wxSW_3D)
        self.swSpectra2.SetBackgroundColour(wxColour(167, 167, 243))
        self.swSpectra2.SetToolTipString('')

        self.swSpectraRaw = wxSashWindow(id=wxID_WXPYCHEMSHELLSWSPECTRARAW,
              name='swSpectraRaw', parent=self.plSpectra, pos=wxPoint(0, 0),
              size=wxSize(744, 620), style=wxCLIP_CHILDREN | wxSW_3D)

        self.swSpectraProcMean = wxSashWindow(id=wxID_WXPYCHEMSHELLSWSPECTRAPROCMEAN,
              name='swSpectraProcMean', parent=self.plSpectra, pos=wxPoint(745,
              504), size=wxSize(272, 116), style=wxCLIP_CHILDREN | wxSW_3D)
        self.swSpectraProcMean.SetToolTipString('')
        self.swSpectraProcMean.SetBackgroundColour(wxColour(167, 167, 243))

        self.lbSpectra1 = wxListBox(choices=['', 'Scaling',
              '  Normalise to 0 for min., +1 for max.',
              '  Normalise max. bin to +1', '  Normalise to total',
              '  Mean centre', '  Autoscale', '  Column normalisation', '',
              'Filtering', '  Linear mean filter, frame width 3',
              '  Linear mean filter, frame width 4',
              '  Linear mean filter, frame width 5',
              '  Linear mean filter, frame width 6',
              '  Linear mean filter, frame width 7',
              '  Linear mean filter, frame width 8',
              '  Linear mean filter, frame width 9',
              '  Linear mean filter, frame width 10', '', 'Baseline Correction',
              '  Set first bin to zero',
              '  Subtract average of first and last bin',
              '  Subtract a linearly increasing baseline', '', 'Derivatisation',
              '  Linear derivatisation, frame width 3',
              '  Linear derivatisation, frame width 4',
              '  Linear derivatisation, frame width 5',
              '  Linear derivatisation, frame width 6',
              '  Linear derivatisation, frame width 7',

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