| 1 | #!/usr/bin/env python |
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| 2 | |
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| 3 | # version |
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| 4 | __id__ = "$Id: aboutdialog.py 1193 2007-05-03 17:29:59Z dmitriy $" |
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| 5 | __revision__ = "$Revision: 1193 $" |
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| 6 | |
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| 7 | import wx |
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| 8 | import os |
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| 9 | from sans.guicomm.events import StatusEvent |
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| 10 | from inversion_state import InversionState |
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| 11 | |
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| 12 | class InversionDlg(wx.Dialog): |
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| 13 | def __init__(self, parent, id, title, plots, file=False, pars=True): |
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| 14 | |
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| 15 | # Estimate size |
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| 16 | nplots = len(plots) |
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| 17 | # y size for data set only |
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| 18 | ysize = 110 + nplots*20 |
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| 19 | # y size including parameters |
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| 20 | if pars: |
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| 21 | ysize += 90 |
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| 22 | |
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| 23 | wx.Dialog.__init__(self, parent, id, title, size=(250, ysize)) |
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| 24 | self.SetTitle(title) |
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| 25 | |
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| 26 | # Data set |
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| 27 | self.datasets = InversionPanel(self, -1, plots) |
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| 28 | vbox = wx.BoxSizer(wx.VERTICAL) |
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| 29 | |
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| 30 | vbox.Add(self.datasets) |
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| 31 | |
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| 32 | # Parameters |
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| 33 | self.pars_flag = False |
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| 34 | if pars==True: |
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| 35 | self.pars_flag = True |
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| 36 | self.pars = ParsDialog(self, -1, file=file) |
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| 37 | vbox.Add(self.pars) |
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| 38 | |
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| 39 | static_line = wx.StaticLine(self, -1) |
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| 40 | vbox.Add(static_line, 0, wx.EXPAND, 0) |
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| 41 | |
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| 42 | button_OK = wx.Button(self, wx.ID_OK, "OK") |
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| 43 | button_Cancel = wx.Button(self, wx.ID_CANCEL, "Cancel") |
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| 44 | |
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| 45 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
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| 46 | sizer_button.Add((20, 20), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 47 | sizer_button.Add(button_OK, 0, wx.LEFT|wx.ADJUST_MINSIZE, 10) |
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| 48 | sizer_button.Add(button_Cancel, 0, wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10) |
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| 49 | vbox.Add(sizer_button, 0, wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
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| 50 | |
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| 51 | self.SetSizer(vbox) |
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| 52 | self.SetAutoLayout(True) |
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| 53 | |
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| 54 | self.Layout() |
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| 55 | self.Centre() |
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| 56 | |
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| 57 | def get_content(self): |
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| 58 | dataset = self.datasets.get_selected() |
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| 59 | if self.pars_flag: |
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| 60 | nfunc, alpha, dmax, file = self.pars.getContent() |
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| 61 | return dataset, nfunc, alpha, dmax |
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| 62 | else: |
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| 63 | return dataset |
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| 64 | |
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| 65 | def set_content(self, dataset, nfunc, alpha, dmax): |
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| 66 | if not dataset==None and dataset in self.datasets.radio_buttons.keys(): |
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| 67 | self.datasets.radio_buttons[dataset].SetValue(True) |
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| 68 | if self.pars_flag: |
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| 69 | self.pars.setContent(nfunc, alpha, dmax, None) |
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| 70 | |
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| 71 | class InversionPanel(wx.Panel): |
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| 72 | |
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| 73 | def __init__(self, parent, id = -1, plots = None, **kwargs): |
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| 74 | wx.Panel.__init__(self, parent, id = id, **kwargs) |
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| 75 | |
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| 76 | self.plots = plots |
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| 77 | self.radio_buttons = {} |
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| 78 | |
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| 79 | self._do_layout() |
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| 80 | |
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| 81 | def _do_layout(self): |
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| 82 | panel = wx.Panel(self, -1) |
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| 83 | vbox = wx.BoxSizer(wx.VERTICAL) |
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| 84 | |
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| 85 | ysize = 30+20*len(self.plots) |
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| 86 | wx.StaticBox(panel, -1, 'Choose a data set', (5, 5), (230, ysize)) |
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| 87 | ypos = 30 |
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| 88 | self.radio_buttons = {} |
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| 89 | for item in self.plots.keys(): |
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| 90 | self.radio_buttons[self.plots[item].name] = wx.RadioButton(panel, -1, self.plots[item].name, (15, ypos)) |
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| 91 | ypos += 20 |
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| 92 | |
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| 93 | vbox.Add(panel) |
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| 94 | |
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| 95 | self.SetSizer(vbox) |
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| 96 | |
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| 97 | def get_selected(self): |
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| 98 | for item in self.radio_buttons: |
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| 99 | if self.radio_buttons[item].GetValue(): |
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| 100 | return item |
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| 101 | return None |
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| 102 | |
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| 103 | class InversionControl(wx.Panel): |
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| 104 | window_name = 'pr_control' |
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| 105 | window_caption = "P(r) control panel" |
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| 106 | CENTER_PANE = True |
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| 107 | |
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| 108 | # Figure of merit parameters [default] |
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| 109 | |
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| 110 | ## Oscillation parameters (sin function = 1.1) |
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| 111 | oscillation_max = 1.5 |
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| 112 | |
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| 113 | def __init__(self, parent, id = -1, plots = None, standalone=False, **kwargs): |
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| 114 | wx.Panel.__init__(self, parent, id = id, **kwargs) |
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| 115 | |
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| 116 | self.plots = plots |
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| 117 | self.radio_buttons = {} |
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| 118 | |
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| 119 | ## Data file TextCtrl |
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| 120 | self.data_file = None |
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| 121 | self.plot_data = None |
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| 122 | self.nfunc_ctl = None |
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| 123 | self.alpha_ctl = None |
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| 124 | self.dmax_ctl = None |
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| 125 | self.time_ctl = None |
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| 126 | self.chi2_ctl = None |
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| 127 | self.osc_ctl = None |
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| 128 | self.file_radio = None |
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| 129 | self.plot_radio = None |
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| 130 | self.label_sugg = None |
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| 131 | self.qmin_ctl = None |
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| 132 | self.qmax_ctl = None |
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| 133 | self.swidth_ctl = None |
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| 134 | self.sheight_ctl = None |
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| 135 | |
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| 136 | self.rg_ctl = None |
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| 137 | self.iq0_ctl = None |
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| 138 | self.bck_chk = None |
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| 139 | self.bck_ctl = None |
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| 140 | |
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| 141 | # TextCtrl for fraction of positive P(r) |
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| 142 | self.pos_ctl = None |
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| 143 | |
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| 144 | # TextCtrl for fraction of 1 sigma positive P(r) |
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| 145 | self.pos_err_ctl = None |
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| 146 | |
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| 147 | ## Estimates |
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| 148 | self.alpha_estimate_ctl = None |
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| 149 | self.nterms_estimate_ctl = None |
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| 150 | |
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| 151 | ## Data manager |
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| 152 | self.manager = None |
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| 153 | |
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| 154 | ## Standalone flage |
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| 155 | self.standalone = standalone |
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| 156 | |
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| 157 | ## Default file location for save |
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| 158 | self._default_save_location = os.getcwd() |
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| 159 | |
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| 160 | self._do_layout() |
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| 161 | |
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| 162 | def __setattr__(self, name, value): |
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| 163 | """ |
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| 164 | Allow direct hooks to text boxes |
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| 165 | """ |
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| 166 | if name=='nfunc': |
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| 167 | self.nfunc_ctl.SetValue(str(int(value))) |
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| 168 | elif name=='d_max': |
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| 169 | self.dmax_ctl.SetValue(str(value)) |
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| 170 | elif name=='alpha': |
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| 171 | self.alpha_ctl.SetValue(str(value)) |
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| 172 | elif name=='chi2': |
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| 173 | self.chi2_ctl.SetValue("%-5.2g" % value) |
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| 174 | elif name=='bck': |
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| 175 | self.bck_ctl.SetValue("%-5.2g" % value) |
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| 176 | elif name=='q_min': |
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| 177 | self.qmin_ctl.SetValue("%-5.2g" % value) |
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| 178 | elif name=='q_max': |
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| 179 | self.qmax_ctl.SetValue("%-5.2g" % value) |
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| 180 | elif name=='elapsed': |
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| 181 | self.time_ctl.SetValue("%-5.2g" % value) |
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| 182 | elif name=='rg': |
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| 183 | self.rg_ctl.SetValue("%-5.2g" % value) |
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| 184 | elif name=='iq0': |
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| 185 | self.iq0_ctl.SetValue("%-5.2g" % value) |
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| 186 | elif name=='oscillation': |
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| 187 | self.osc_ctl.SetValue("%-5.2g" % value) |
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| 188 | elif name=='slit_width': |
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| 189 | self.swidth_ctl.SetValue("%-5.2g" % value) |
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| 190 | elif name=='slit_height': |
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| 191 | self.sheight_ctl.SetValue("%-5.2g" % value) |
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| 192 | elif name=='positive': |
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| 193 | self.pos_ctl.SetValue("%-5.2g" % value) |
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| 194 | elif name=='pos_err': |
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| 195 | self.pos_err_ctl.SetValue("%-5.2g" % value) |
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| 196 | elif name=='alpha_estimate': |
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| 197 | self.alpha_estimate_ctl.SetToolTipString("Click to accept value.") |
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| 198 | self.alpha_estimate_ctl.Enable(True) |
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| 199 | self.alpha_estimate_ctl.SetLabel("%-3.1g" % value) |
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| 200 | #self.alpha_estimate_ctl.Show() |
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| 201 | #self.label_sugg.Show() |
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| 202 | elif name=='nterms_estimate': |
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| 203 | self.nterms_estimate_ctl.SetToolTipString("Click to accept value.") |
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| 204 | self.nterms_estimate_ctl.Enable(True) |
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| 205 | self.nterms_estimate_ctl.SetLabel("%-g" % value) |
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| 206 | elif name=='plotname': |
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| 207 | if self.standalone==False: |
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| 208 | self.plot_data.SetValue(str(value)) |
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| 209 | self._on_pars_changed(None) |
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| 210 | elif name=='datafile': |
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| 211 | self.data_file.SetValue(str(value)) |
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| 212 | self._on_pars_changed(None) |
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| 213 | else: |
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| 214 | wx.Panel.__setattr__(self, name, value) |
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| 215 | |
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| 216 | def __getattr__(self, name): |
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| 217 | """ |
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| 218 | Allow direct hooks to text boxes |
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| 219 | """ |
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| 220 | if name=='nfunc': |
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| 221 | try: |
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| 222 | return int(self.nfunc_ctl.GetValue()) |
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| 223 | except: |
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| 224 | return -1 |
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| 225 | elif name=='d_max': |
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| 226 | try: |
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| 227 | return self.dmax_ctl.GetValue() |
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| 228 | except: |
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| 229 | return -1.0 |
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| 230 | elif name=='alpha': |
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| 231 | try: |
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| 232 | return self.alpha_ctl.GetValue() |
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| 233 | except: |
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| 234 | return -1.0 |
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| 235 | elif name=='chi2': |
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| 236 | try: |
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| 237 | return float(self.chi2_ctl.GetValue()) |
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| 238 | except: |
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| 239 | return None |
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| 240 | elif name=='bck': |
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| 241 | try: |
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| 242 | return float(self.bck_ctl.GetValue()) |
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| 243 | except: |
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| 244 | return None |
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| 245 | elif name=='q_min': |
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| 246 | try: |
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| 247 | return float(self.qmin_ctl.GetValue()) |
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| 248 | except: |
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| 249 | return 0.0 |
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| 250 | elif name=='q_max': |
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| 251 | try: |
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| 252 | return float(self.qmax_ctl.GetValue()) |
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| 253 | except: |
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| 254 | return 0.0 |
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| 255 | elif name=='elapsed': |
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| 256 | try: |
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| 257 | return float(self.time_ctl.GetValue()) |
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| 258 | except: |
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| 259 | return None |
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| 260 | elif name=='rg': |
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| 261 | try: |
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| 262 | return float(self.rg_ctl.GetValue()) |
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| 263 | except: |
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| 264 | return None |
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| 265 | elif name=='iq0': |
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| 266 | try: |
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| 267 | return float(self.iq0_ctl.GetValue()) |
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| 268 | except: |
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| 269 | return None |
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| 270 | elif name=='oscillation': |
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| 271 | try: |
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| 272 | return float(self.osc_ctl.GetValue()) |
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| 273 | except: |
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| 274 | return None |
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| 275 | elif name=='slit_width': |
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| 276 | try: |
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| 277 | return float(self.swidth_ctl.GetValue()) |
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| 278 | except: |
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| 279 | return None |
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| 280 | elif name=='slit_height': |
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| 281 | try: |
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| 282 | return float(self.sheight_ctl.GetValue()) |
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| 283 | except: |
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| 284 | return None |
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| 285 | elif name=='pos': |
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| 286 | try: |
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| 287 | return float(self.pos_ctl.GetValue()) |
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| 288 | except: |
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| 289 | return None |
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| 290 | elif name=='pos_err': |
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| 291 | try: |
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| 292 | return float(self.pos_err_ctl.GetValue()) |
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| 293 | except: |
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| 294 | return None |
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| 295 | elif name=='alpha_estimate': |
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| 296 | try: |
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| 297 | return float(self.alpha_estimate_ctl.GetLabel()) |
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| 298 | except: |
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| 299 | return None |
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| 300 | elif name=='nterms_estimate': |
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| 301 | try: |
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| 302 | return int(self.nterms_estimate_ctl.GetLabel()) |
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| 303 | except: |
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| 304 | return None |
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| 305 | elif name=='plotname': |
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| 306 | if self.standalone==False: |
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| 307 | return self.plot_data.GetValue() |
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| 308 | elif name=='datafile': |
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| 309 | return self.data_file.GetValue() |
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| 310 | else: |
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| 311 | wx.Panel.__getattr__(self, name) |
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| 312 | |
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| 313 | def _save_state(self, evt=None): |
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| 314 | """ |
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| 315 | Method used to create a memento of the current state |
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| 316 | |
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| 317 | @return: state object |
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| 318 | """ |
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| 319 | # Ask the user the location of the file to write to. |
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| 320 | path = None |
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| 321 | dlg = wx.FileDialog(self, "Choose a file", self._default_save_location, "", "*.prv", wx.SAVE) |
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| 322 | if dlg.ShowModal() == wx.ID_OK: |
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| 323 | path = dlg.GetPath() |
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| 324 | self._default_save_location = os.path.dirname(path) |
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| 325 | dlg.Destroy() |
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| 326 | |
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| 327 | # Construct the state object |
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| 328 | state = InversionState() |
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| 329 | |
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| 330 | # Read the panel's parameters |
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| 331 | flag, alpha, dmax, nfunc, qmin, \ |
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| 332 | qmax, height, width = self._read_pars() |
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| 333 | |
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| 334 | state.nfunc = nfunc |
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| 335 | state.d_max = dmax |
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| 336 | state.alpha = alpha |
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| 337 | state.qmin = qmin |
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| 338 | state.qmax = qmax |
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| 339 | state.width = width |
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| 340 | state.height = height |
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| 341 | |
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| 342 | # Data file |
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| 343 | if self.manager.standalone==True: |
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| 344 | state.file = self.data_file.GetValue() |
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| 345 | else: |
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| 346 | #TODO: save the data |
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| 347 | pass |
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| 348 | |
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| 349 | # Background evaluation checkbox |
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| 350 | state.estimate_bck = self.bck_chk.IsChecked() |
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| 351 | |
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| 352 | # Estimates |
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| 353 | state.nterms_estimate = self.nterms_estimate |
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| 354 | state.alpha_estimate = self.alpha_estimate |
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| 355 | |
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| 356 | # Read the output values |
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| 357 | state.chi2 = self.chi2 |
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| 358 | state.elapsed = self.elapsed |
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| 359 | state.osc = self.oscillation |
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| 360 | state.pos = self.pos |
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| 361 | state.pos_err = self.pos_err |
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| 362 | state.rg = self.rg |
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| 363 | state.iq0 = self.iq0 |
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| 364 | state.bck = self.bck |
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| 365 | |
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| 366 | state.toXML(path) |
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| 367 | return state |
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| 368 | |
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| 369 | def set_state(self, state): |
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| 370 | """ |
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| 371 | Set the state of the panel and inversion problem to |
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| 372 | the state passed as a parameter. |
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| 373 | Execute the inversion immediately after filling the |
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| 374 | controls. |
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| 375 | |
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| 376 | @param state: InversionState object |
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| 377 | """ |
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| 378 | self.nfunc = state.nfunc |
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| 379 | self.d_max = state.d_max |
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| 380 | self.alpha = state.alpha |
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| 381 | self.q_min = state.qmin |
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| 382 | self.q_max = state.qmax |
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| 383 | self.slit_width = state.width |
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| 384 | self.slit_height = state.height |
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| 385 | |
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| 386 | # Data file |
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| 387 | self.data_file.SetValue(str(state.file)) |
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| 388 | |
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| 389 | # Background evaluation checkbox |
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| 390 | self.bck_chk.SetValue(state.estimate_bck) |
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| 391 | |
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| 392 | # Estimates |
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| 393 | self.nterms_estimate = state.nterms_estimate |
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| 394 | self.alpha_estimate = state.alpha_estimate |
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| 395 | |
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| 396 | |
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| 397 | # Read the output values |
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| 398 | self.chi2 = state.chi2 |
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| 399 | self.elapsed = state.elapsed |
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| 400 | self.oscillation = state.osc |
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| 401 | self.positive = state.pos |
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| 402 | self.pos_err = state.pos_err |
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| 403 | self.rg = state.rg |
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| 404 | self.iq0 = state.iq0 |
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| 405 | self.bck = state.bck |
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| 406 | |
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| 407 | # Check whether the file is accessible, if so, |
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| 408 | # load it a recompute P(r) using the new parameters |
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| 409 | if os.path.isfile(state.file): |
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| 410 | self._change_file(filepath=state.file) |
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| 411 | self._on_invert(None) |
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| 412 | else: |
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| 413 | message = "Could not find [%s] on the file system." % state.file |
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| 414 | wx.PostEvent(self.manager.parent, StatusEvent(status=message)) |
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| 415 | |
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| 416 | |
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| 417 | |
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| 418 | def set_manager(self, manager): |
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| 419 | self.manager = manager |
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| 420 | # Get data |
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| 421 | |
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| 422 | # Push data to form |
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| 423 | |
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| 424 | |
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| 425 | def _do_layout(self): |
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| 426 | vbox = wx.GridBagSizer(0,0) |
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| 427 | iy_vb = 0 |
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| 428 | |
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| 429 | # ----- I(q) data ----- |
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| 430 | databox = wx.StaticBox(self, -1, "I(q) data source") |
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| 431 | |
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| 432 | boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL) |
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| 433 | boxsizer1.SetMinSize((320,50)) |
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| 434 | pars_sizer = wx.GridBagSizer(5,5) |
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| 435 | |
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| 436 | iy = 0 |
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| 437 | self.file_radio = wx.StaticText(self, -1, "Data:") |
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| 438 | pars_sizer.Add(self.file_radio, (iy,0), (1,1), wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 439 | |
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| 440 | if self.standalone==True: |
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| 441 | self.data_file = wx.TextCtrl(self, -1, size=(220,20)) |
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| 442 | self.data_file.SetEditable(False) |
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| 443 | self.data_file.SetValue("") |
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| 444 | pars_sizer.Add(self.data_file, (iy,1), (1,1), wx.ADJUST_MINSIZE, 15) |
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| 445 | else: |
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| 446 | self.plot_data = wx.TextCtrl(self, -1, size=(220,20)) |
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| 447 | self.plot_data.SetEditable(False) |
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| 448 | pars_sizer.Add(self.plot_data, (iy,1), (1,1), wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 449 | |
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| 450 | self.bck_chk = wx.CheckBox(self, -1, "Estimate background level") |
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| 451 | self.bck_chk.SetToolTipString("Check box to let the fit estimate the constant background level.") |
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| 452 | self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed) |
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| 453 | iy += 1 |
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| 454 | pars_sizer.Add(self.bck_chk, (iy,0), (1,2), wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 455 | boxsizer1.Add(pars_sizer, 0, wx.EXPAND) |
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| 456 | vbox.Add(boxsizer1, (iy_vb,0), (1,1), wx.RIGHT|wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 457 | |
|---|
| 458 | # ----- Add slit parameters ----- |
|---|
| 459 | if True: |
|---|
| 460 | sbox = wx.StaticBox(self, -1, "Slit parameters") |
|---|
| 461 | sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL) |
|---|
| 462 | sboxsizer.SetMinSize((320,20)) |
|---|
| 463 | |
|---|
| 464 | sizer_slit = wx.GridBagSizer(5,5) |
|---|
| 465 | |
|---|
| 466 | label_sheight = wx.StaticText(self, -1, "Height", size=(40,20)) |
|---|
| 467 | label_swidth = wx.StaticText(self, -1, "Width", size=(40,20)) |
|---|
| 468 | #label_sunits1 = wx.StaticText(self, -1, "[A^(-1)]") |
|---|
| 469 | label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55,20)) |
|---|
| 470 | self.sheight_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 471 | self.swidth_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 472 | self.sheight_ctl.SetToolTipString("Enter slit height in units of Q or leave blank.") |
|---|
| 473 | self.swidth_ctl.SetToolTipString("Enter slit width in units of Q or leave blank.") |
|---|
| 474 | #self.sheight_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed) |
|---|
| 475 | #self.swidth_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed) |
|---|
| 476 | |
|---|
| 477 | iy = 0 |
|---|
| 478 | sizer_slit.Add(label_sheight, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 479 | sizer_slit.Add(self.sheight_ctl, (iy,1), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 480 | #sizer_slit.Add(label_sunits1, (iy,2), (1,1), wx.LEFT|wx.EXPAND, 10) |
|---|
| 481 | sizer_slit.Add(label_swidth, (iy,2), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 482 | sizer_slit.Add(self.swidth_ctl, (iy,3), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 483 | sizer_slit.Add(label_sunits2, (iy,4), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 484 | |
|---|
| 485 | sboxsizer.Add(sizer_slit, wx.TOP, 15) |
|---|
| 486 | iy_vb += 1 |
|---|
| 487 | vbox.Add(sboxsizer, (iy_vb,0), (1,1), wx.RIGHT|wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 488 | |
|---|
| 489 | |
|---|
| 490 | # ----- Q range ----- |
|---|
| 491 | qbox = wx.StaticBox(self, -1, "Q range") |
|---|
| 492 | qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL) |
|---|
| 493 | qboxsizer.SetMinSize((320,20)) |
|---|
| 494 | |
|---|
| 495 | sizer_q = wx.GridBagSizer(5,5) |
|---|
| 496 | |
|---|
| 497 | label_qmin = wx.StaticText(self, -1, "Q min", size=(40,20)) |
|---|
| 498 | label_qmax = wx.StaticText(self, -1, "Q max", size=(40,20)) |
|---|
| 499 | #label_qunits1 = wx.StaticText(self, -1, "[A^(-1)]") |
|---|
| 500 | label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55,20)) |
|---|
| 501 | self.qmin_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 502 | self.qmax_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 503 | self.qmin_ctl.SetToolTipString("Select a lower bound for Q or leave blank.") |
|---|
| 504 | self.qmax_ctl.SetToolTipString("Select an upper bound for Q or leave blank.") |
|---|
| 505 | self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed) |
|---|
| 506 | self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed) |
|---|
| 507 | |
|---|
| 508 | iy = 0 |
|---|
| 509 | sizer_q.Add(label_qmin, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 510 | sizer_q.Add(self.qmin_ctl, (iy,1), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 511 | #sizer_q.Add(label_qunits1, (iy,2), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 512 | sizer_q.Add(label_qmax, (iy,2), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 513 | sizer_q.Add(self.qmax_ctl, (iy,3), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 514 | sizer_q.Add(label_qunits2, (iy,4), (1,1), wx.LEFT|wx.EXPAND, 5) |
|---|
| 515 | qboxsizer.Add(sizer_q, wx.TOP, 15) |
|---|
| 516 | |
|---|
| 517 | iy_vb += 1 |
|---|
| 518 | vbox.Add(qboxsizer, (iy_vb,0), (1,1), wx.RIGHT|wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 519 | |
|---|
| 520 | |
|---|
| 521 | |
|---|
| 522 | |
|---|
| 523 | # ----- Parameters ----- |
|---|
| 524 | parsbox = wx.StaticBox(self, -1, "Parameters") |
|---|
| 525 | boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL) |
|---|
| 526 | boxsizer2.SetMinSize((320,50)) |
|---|
| 527 | |
|---|
| 528 | explanation = "P(r) is found by fitting a set of base functions to I(Q). " |
|---|
| 529 | explanation += "The minimization involves a regularization term to ensure " |
|---|
| 530 | explanation += "a smooth P(r). The regularization constant gives the size of that " |
|---|
| 531 | explanation += "term. The suggested value is the value above which the " |
|---|
| 532 | explanation += "output P(r) will have only one peak." |
|---|
| 533 | label_explain = wx.StaticText(self, -1, explanation, size=(280,80)) |
|---|
| 534 | boxsizer2.Add(label_explain, wx.LEFT|wx.BOTTOM, 5) |
|---|
| 535 | |
|---|
| 536 | |
|---|
| 537 | |
|---|
| 538 | label_nfunc = wx.StaticText(self, -1, "Number of terms") |
|---|
| 539 | label_nfunc.SetMinSize((120,20)) |
|---|
| 540 | label_alpha = wx.StaticText(self, -1, "Regularization constant") |
|---|
| 541 | label_dmax = wx.StaticText(self, -1, "Max distance [A]") |
|---|
| 542 | self.label_sugg = wx.StaticText(self, -1, "Suggested value") |
|---|
| 543 | #self.label_sugg.Hide() |
|---|
| 544 | |
|---|
| 545 | self.nfunc_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 546 | self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.") |
|---|
| 547 | self.alpha_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 548 | self.alpha_ctl.SetToolTipString("Control parameter for the size of the regularization term.") |
|---|
| 549 | self.dmax_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 550 | self.dmax_ctl.SetToolTipString("Maximum distance between any two points in the system.") |
|---|
| 551 | id = wx.NewId() |
|---|
| 552 | self.alpha_estimate_ctl = wx.Button(self, id, "") |
|---|
| 553 | #self.alpha_estimate_ctl.Hide() |
|---|
| 554 | self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id = id) |
|---|
| 555 | self.alpha_estimate_ctl.Enable(False) |
|---|
| 556 | #self.alpha_estimate_ctl.SetBackgroundColour('#ffdf85') |
|---|
| 557 | #self.alpha_estimate_ctl.SetBackgroundColour(self.GetBackgroundColour()) |
|---|
| 558 | self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...") |
|---|
| 559 | |
|---|
| 560 | id = wx.NewId() |
|---|
| 561 | self.nterms_estimate_ctl = wx.Button(self, id, "") |
|---|
| 562 | #self.nterms_estimate_ctl.Hide() |
|---|
| 563 | self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id = id) |
|---|
| 564 | self.nterms_estimate_ctl.Enable(False) |
|---|
| 565 | #self.nterms_estimate_ctl.SetBackgroundColour('#ffdf85') |
|---|
| 566 | #self.nterms_estimate_ctl.SetBackgroundColour(self.GetBackgroundColour()) |
|---|
| 567 | self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...") |
|---|
| 568 | |
|---|
| 569 | self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars) |
|---|
| 570 | self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars) |
|---|
| 571 | self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed) |
|---|
| 572 | |
|---|
| 573 | |
|---|
| 574 | |
|---|
| 575 | sizer_params = wx.GridBagSizer(5,5) |
|---|
| 576 | |
|---|
| 577 | iy = 0 |
|---|
| 578 | sizer_params.Add(self.label_sugg, (iy,2), (1,1), wx.LEFT, 15) |
|---|
| 579 | iy += 1 |
|---|
| 580 | sizer_params.Add(label_nfunc, (iy,0), (1,1), wx.LEFT, 15) |
|---|
| 581 | sizer_params.Add(self.nfunc_ctl, (iy,1), (1,1), wx.RIGHT, 0) |
|---|
| 582 | sizer_params.Add(self.nterms_estimate_ctl, (iy,2), (1,1), wx.LEFT, 15) |
|---|
| 583 | iy += 1 |
|---|
| 584 | sizer_params.Add(label_alpha, (iy,0), (1,1), wx.LEFT, 15) |
|---|
| 585 | sizer_params.Add(self.alpha_ctl, (iy,1), (1,1), wx.RIGHT, 0) |
|---|
| 586 | sizer_params.Add(self.alpha_estimate_ctl, (iy,2), (1,1), wx.LEFT, 15) |
|---|
| 587 | iy += 1 |
|---|
| 588 | sizer_params.Add(label_dmax, (iy,0), (1,1), wx.LEFT, 15) |
|---|
| 589 | sizer_params.Add(self.dmax_ctl, (iy,1), (1,1), wx.RIGHT, 0) |
|---|
| 590 | |
|---|
| 591 | boxsizer2.Add(sizer_params, 0) |
|---|
| 592 | |
|---|
| 593 | iy_vb += 1 |
|---|
| 594 | vbox.Add(boxsizer2, (iy_vb,0), (1,1), wx.RIGHT|wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 595 | |
|---|
| 596 | |
|---|
| 597 | # ----- Results ----- |
|---|
| 598 | resbox = wx.StaticBox(self, -1, "Outputs") |
|---|
| 599 | ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL) |
|---|
| 600 | ressizer.SetMinSize((320,50)) |
|---|
| 601 | |
|---|
| 602 | label_rg = wx.StaticText(self, -1, "Rg") |
|---|
| 603 | label_rg_unit = wx.StaticText(self, -1, "[A]") |
|---|
| 604 | label_iq0 = wx.StaticText(self, -1, "I(Q=0)") |
|---|
| 605 | label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]") |
|---|
| 606 | label_bck = wx.StaticText(self, -1, "Background") |
|---|
| 607 | label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]") |
|---|
| 608 | self.rg_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 609 | self.rg_ctl.SetEditable(False) |
|---|
| 610 | self.rg_ctl.SetToolTipString("Radius of gyration for the computed P(r).") |
|---|
| 611 | self.iq0_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 612 | self.iq0_ctl.SetEditable(False) |
|---|
| 613 | self.iq0_ctl.SetToolTipString("Scattering intensity at Q=0 for the computed P(r).") |
|---|
| 614 | self.bck_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 615 | self.bck_ctl.SetEditable(False) |
|---|
| 616 | self.bck_ctl.SetToolTipString("Value of estimated constant background.") |
|---|
| 617 | |
|---|
| 618 | label_time = wx.StaticText(self, -1, "Computation time") |
|---|
| 619 | label_time_unit = wx.StaticText(self, -1, "secs") |
|---|
| 620 | label_time.SetMinSize((120,20)) |
|---|
| 621 | label_chi2 = wx.StaticText(self, -1, "Chi2/dof") |
|---|
| 622 | label_osc = wx.StaticText(self, -1, "Oscillations") |
|---|
| 623 | label_pos = wx.StaticText(self, -1, "Positive fraction") |
|---|
| 624 | label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction") |
|---|
| 625 | |
|---|
| 626 | self.time_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 627 | self.time_ctl.SetEditable(False) |
|---|
| 628 | self.time_ctl.SetToolTipString("Computation time for the last inversion, in seconds.") |
|---|
| 629 | |
|---|
| 630 | self.chi2_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 631 | self.chi2_ctl.SetEditable(False) |
|---|
| 632 | self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.") |
|---|
| 633 | |
|---|
| 634 | # Oscillation parameter |
|---|
| 635 | self.osc_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 636 | self.osc_ctl.SetEditable(False) |
|---|
| 637 | self.osc_ctl.SetToolTipString("Oscillation parameter. P(r) for a sphere has an oscillation parameter of 1.1.") |
|---|
| 638 | |
|---|
| 639 | # Positive fraction figure of merit |
|---|
| 640 | self.pos_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 641 | self.pos_ctl.SetEditable(False) |
|---|
| 642 | self.pos_ctl.SetToolTipString("Fraction of P(r) that is positive. Theoretically, P(r) is defined positive.") |
|---|
| 643 | |
|---|
| 644 | # 1-simga positive fraction figure of merit |
|---|
| 645 | self.pos_err_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 646 | self.pos_err_ctl.SetEditable(False) |
|---|
| 647 | message = "Fraction of P(r) that is at least 1 standard deviation greater than zero.\n" |
|---|
| 648 | message += "This figure of merit tells you about the size of the P(r) errors.\n" |
|---|
| 649 | message += "If it is close to 1 and the other figures of merit are bad, consider changing " |
|---|
| 650 | message += "the maximum distance." |
|---|
| 651 | self.pos_err_ctl.SetToolTipString(message) |
|---|
| 652 | |
|---|
| 653 | sizer_res = wx.GridBagSizer(5,5) |
|---|
| 654 | |
|---|
| 655 | iy = 0 |
|---|
| 656 | sizer_res.Add(label_rg, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 657 | sizer_res.Add(self.rg_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 658 | sizer_res.Add(label_rg_unit, (iy,2), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 659 | iy += 1 |
|---|
| 660 | sizer_res.Add(label_iq0, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 661 | sizer_res.Add(self.iq0_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 662 | sizer_res.Add(label_iq0_unit, (iy,2), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 663 | iy += 1 |
|---|
| 664 | sizer_res.Add(label_bck, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 665 | sizer_res.Add(self.bck_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 666 | sizer_res.Add(label_bck_unit, (iy,2), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 667 | iy += 1 |
|---|
| 668 | sizer_res.Add(label_time, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 669 | sizer_res.Add(self.time_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 670 | sizer_res.Add(label_time_unit, (iy,2), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 671 | iy += 1 |
|---|
| 672 | sizer_res.Add(label_chi2, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 673 | sizer_res.Add(self.chi2_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 674 | iy += 1 |
|---|
| 675 | sizer_res.Add(label_osc, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 676 | sizer_res.Add(self.osc_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 677 | |
|---|
| 678 | iy += 1 |
|---|
| 679 | sizer_res.Add(label_pos, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 680 | sizer_res.Add(self.pos_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 681 | |
|---|
| 682 | iy += 1 |
|---|
| 683 | sizer_res.Add(label_pos_err, (iy,0), (1,1), wx.LEFT|wx.EXPAND, 15) |
|---|
| 684 | sizer_res.Add(self.pos_err_ctl, (iy,1), (1,1), wx.RIGHT|wx.EXPAND, 15) |
|---|
| 685 | |
|---|
| 686 | ressizer.Add(sizer_res, 0) |
|---|
| 687 | iy_vb += 1 |
|---|
| 688 | vbox.Add(ressizer, (iy_vb,0), (1,1), wx.RIGHT|wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 689 | |
|---|
| 690 | # ----- Buttons ----- |
|---|
| 691 | id = wx.NewId() |
|---|
| 692 | button_OK = wx.Button(self, id, "Compute") |
|---|
| 693 | button_OK.SetToolTipString("Perform P(r) inversion.") |
|---|
| 694 | self.Bind(wx.EVT_BUTTON, self._on_invert, id = id) |
|---|
| 695 | |
|---|
| 696 | id = wx.NewId() |
|---|
| 697 | button_Reset = wx.Button(self, id, "Reset") |
|---|
| 698 | button_Reset.SetToolTipString("Reset inversion parameters to default.") |
|---|
| 699 | self.Bind(wx.EVT_BUTTON, self._on_reset, id = id) |
|---|
| 700 | #button_Cancel = wx.Button(self, wx.ID_CANCEL, "Cancel") |
|---|
| 701 | |
|---|
| 702 | id = wx.NewId() |
|---|
| 703 | button_Save = wx.Button(self, id, "Save") |
|---|
| 704 | button_Save.SetToolTipString("Save the current P(r) work to file.") |
|---|
| 705 | self.Bind(wx.EVT_BUTTON, self._save_state, id = id) |
|---|
| 706 | |
|---|
| 707 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
|---|
| 708 | sizer_button.Add((20, 20), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 709 | sizer_button.Add(button_Save, 0, wx.LEFT|wx.ADJUST_MINSIZE, 10) |
|---|
| 710 | sizer_button.Add(button_Reset, 0, wx.LEFT|wx.ADJUST_MINSIZE, 10) |
|---|
| 711 | sizer_button.Add(button_OK, 0, wx.LEFT|wx.ADJUST_MINSIZE, 10) |
|---|
| 712 | #sizer_button.Add(button_Cancel, 0, wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10) |
|---|
| 713 | iy_vb += 1 |
|---|
| 714 | vbox.Add(sizer_button, (iy_vb,0), (1,1), wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
|---|
| 715 | |
|---|
| 716 | |
|---|
| 717 | self.SetSizer(vbox) |
|---|
| 718 | |
|---|
| 719 | def _on_accept_alpha(self, evt): |
|---|
| 720 | """ |
|---|
| 721 | User has accepted the estimated alpha, |
|---|
| 722 | set it as part of the input parameters |
|---|
| 723 | """ |
|---|
| 724 | try: |
|---|
| 725 | alpha = self.alpha_estimate_ctl.GetLabel() |
|---|
| 726 | tmp = float(alpha) |
|---|
| 727 | self.alpha_ctl.SetValue(alpha) |
|---|
| 728 | except: |
|---|
| 729 | # No estimate or bad estimate, either do nothing |
|---|
| 730 | import sys |
|---|
| 731 | print "InversionControl._on_accept_alpha: %s" % sys.exc_value |
|---|
| 732 | pass |
|---|
| 733 | |
|---|
| 734 | def _on_accept_nterms(self, evt): |
|---|
| 735 | """ |
|---|
| 736 | User has accepted the estimated number of terms, |
|---|
| 737 | set it as part of the input parameters |
|---|
| 738 | """ |
|---|
| 739 | try: |
|---|
| 740 | nterms = self.nterms_estimate_ctl.GetLabel() |
|---|
| 741 | tmp = float(nterms) |
|---|
| 742 | self.nfunc_ctl.SetValue(nterms) |
|---|
| 743 | except: |
|---|
| 744 | # No estimate or bad estimate, either do nothing |
|---|
| 745 | import sys |
|---|
| 746 | print "InversionControl._on_accept_nterms: %s" % sys.exc_value |
|---|
| 747 | pass |
|---|
| 748 | |
|---|
| 749 | def _on_reset(self, evt): |
|---|
| 750 | """ |
|---|
| 751 | Resets inversion parameters |
|---|
| 752 | """ |
|---|
| 753 | self.nfunc = self.manager.DEFAULT_NFUNC |
|---|
| 754 | self.d_max = self.manager.DEFAULT_DMAX |
|---|
| 755 | self.alpha = self.manager.DEFAULT_ALPHA |
|---|
| 756 | self.qmin_ctl.SetValue("") |
|---|
| 757 | self.qmax_ctl.SetValue("") |
|---|
| 758 | self.time_ctl.SetValue("") |
|---|
| 759 | self.rg_ctl.SetValue("") |
|---|
| 760 | self.iq0_ctl.SetValue("") |
|---|
| 761 | self.bck_ctl.SetValue("") |
|---|
| 762 | self.chi2_ctl.SetValue("") |
|---|
| 763 | self.osc_ctl.SetValue("") |
|---|
| 764 | self.pos_ctl.SetValue("") |
|---|
| 765 | self.pos_err_ctl.SetValue("") |
|---|
| 766 | self.alpha_estimate_ctl.Enable(False) |
|---|
| 767 | self.alpha_estimate_ctl.SetLabel("") |
|---|
| 768 | self.nterms_estimate_ctl.Enable(False) |
|---|
| 769 | self.nterms_estimate_ctl.SetLabel("") |
|---|
| 770 | self._on_pars_changed() |
|---|
| 771 | |
|---|
| 772 | def _on_pars_changed(self, evt=None): |
|---|
| 773 | """ |
|---|
| 774 | Called when an input parameter has changed |
|---|
| 775 | We will estimate the alpha parameter behind the |
|---|
| 776 | scenes. |
|---|
| 777 | """ |
|---|
| 778 | flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars() |
|---|
| 779 | has_bck = self.bck_chk.IsChecked() |
|---|
| 780 | |
|---|
| 781 | # If the pars are valid, estimate alpha |
|---|
| 782 | if flag: |
|---|
| 783 | self.nterms_estimate_ctl.Enable(False) |
|---|
| 784 | self.alpha_estimate_ctl.Enable(False) |
|---|
| 785 | |
|---|
| 786 | if self.standalone==False: |
|---|
| 787 | dataset = self.plot_data.GetValue() |
|---|
| 788 | self.manager.estimate_plot_inversion(alpha=alpha, nfunc=nfunc, |
|---|
| 789 | d_max=dmax, |
|---|
| 790 | q_min=qmin, q_max=qmax, |
|---|
| 791 | bck=has_bck, |
|---|
| 792 | height=height, |
|---|
| 793 | width=width) |
|---|
| 794 | else: |
|---|
| 795 | path = self.data_file.GetValue() |
|---|
| 796 | self.manager.estimate_file_inversion(alpha=alpha, nfunc=nfunc, |
|---|
| 797 | d_max=dmax, path=path, |
|---|
| 798 | q_min=qmin, q_max=qmax, |
|---|
| 799 | bck=has_bck, |
|---|
| 800 | height=height, |
|---|
| 801 | width=width) |
|---|
| 802 | |
|---|
| 803 | |
|---|
| 804 | def _read_pars(self, evt=None): |
|---|
| 805 | alpha = 0 |
|---|
| 806 | nfunc = 5 |
|---|
| 807 | dmax = 120 |
|---|
| 808 | qmin = 0 |
|---|
| 809 | qmax = 0 |
|---|
| 810 | height = 0 |
|---|
| 811 | width = 0 |
|---|
| 812 | |
|---|
| 813 | flag = True |
|---|
| 814 | |
|---|
| 815 | |
|---|
| 816 | # Read slit height |
|---|
| 817 | try: |
|---|
| 818 | height_str = self.sheight_ctl.GetValue() |
|---|
| 819 | if len(height_str.lstrip().rstrip())==0: |
|---|
| 820 | height = 0 |
|---|
| 821 | else: |
|---|
| 822 | height = float(height_str) |
|---|
| 823 | self.sheight_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 824 | self.sheight_ctl.Refresh() |
|---|
| 825 | except: |
|---|
| 826 | flag = False |
|---|
| 827 | self.sheight_ctl.SetBackgroundColour("pink") |
|---|
| 828 | self.sheight_ctl.Refresh() |
|---|
| 829 | |
|---|
| 830 | # Read slit width |
|---|
| 831 | try: |
|---|
| 832 | width_str = self.swidth_ctl.GetValue() |
|---|
| 833 | if len(width_str.lstrip().rstrip())==0: |
|---|
| 834 | width = 0 |
|---|
| 835 | else: |
|---|
| 836 | width = float(width_str) |
|---|
| 837 | self.swidth_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 838 | self.swidth_ctl.Refresh() |
|---|
| 839 | except: |
|---|
| 840 | flag = False |
|---|
| 841 | self.swidth_ctl.SetBackgroundColour("pink") |
|---|
| 842 | self.swidth_ctl.Refresh() |
|---|
| 843 | |
|---|
| 844 | # Read alpha |
|---|
| 845 | try: |
|---|
| 846 | alpha = float(self.alpha_ctl.GetValue()) |
|---|
| 847 | self.alpha_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 848 | self.alpha_ctl.Refresh() |
|---|
| 849 | except: |
|---|
| 850 | flag = False |
|---|
| 851 | self.alpha_ctl.SetBackgroundColour("pink") |
|---|
| 852 | self.alpha_ctl.Refresh() |
|---|
| 853 | |
|---|
| 854 | # Read d_max |
|---|
| 855 | try: |
|---|
| 856 | dmax = float(self.dmax_ctl.GetValue()) |
|---|
| 857 | self.dmax_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 858 | self.dmax_ctl.Refresh() |
|---|
| 859 | except: |
|---|
| 860 | flag = False |
|---|
| 861 | self.dmax_ctl.SetBackgroundColour("pink") |
|---|
| 862 | self.dmax_ctl.Refresh() |
|---|
| 863 | |
|---|
| 864 | # Read nfunc |
|---|
| 865 | try: |
|---|
| 866 | nfunc = int(self.nfunc_ctl.GetValue()) |
|---|
| 867 | npts = self.manager.get_npts() |
|---|
| 868 | if npts>0 and nfunc>npts: |
|---|
| 869 | message = "Number of function terms should be smaller than the number of points" |
|---|
| 870 | wx.PostEvent(self.manager.parent, StatusEvent(status=message)) |
|---|
| 871 | raise ValueError, message |
|---|
| 872 | self.nfunc_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 873 | self.nfunc_ctl.Refresh() |
|---|
| 874 | except: |
|---|
| 875 | flag = False |
|---|
| 876 | self.nfunc_ctl.SetBackgroundColour("pink") |
|---|
| 877 | self.nfunc_ctl.Refresh() |
|---|
| 878 | |
|---|
| 879 | # Read qmin |
|---|
| 880 | try: |
|---|
| 881 | qmin_str = self.qmin_ctl.GetValue() |
|---|
| 882 | if len(qmin_str.lstrip().rstrip())==0: |
|---|
| 883 | qmin = None |
|---|
| 884 | else: |
|---|
| 885 | qmin = float(qmin_str) |
|---|
| 886 | self.qmin_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 887 | self.qmin_ctl.Refresh() |
|---|
| 888 | except: |
|---|
| 889 | flag = False |
|---|
| 890 | self.qmin_ctl.SetBackgroundColour("pink") |
|---|
| 891 | self.qmin_ctl.Refresh() |
|---|
| 892 | |
|---|
| 893 | # Read qmax |
|---|
| 894 | try: |
|---|
| 895 | qmax_str = self.qmax_ctl.GetValue() |
|---|
| 896 | if len(qmax_str.lstrip().rstrip())==0: |
|---|
| 897 | qmax = None |
|---|
| 898 | else: |
|---|
| 899 | qmax = float(qmax_str) |
|---|
| 900 | self.qmax_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 901 | self.qmax_ctl.Refresh() |
|---|
| 902 | except: |
|---|
| 903 | flag = False |
|---|
| 904 | self.qmax_ctl.SetBackgroundColour("pink") |
|---|
| 905 | self.qmax_ctl.Refresh() |
|---|
| 906 | |
|---|
| 907 | return flag, alpha, dmax, nfunc, qmin, qmax, height, width |
|---|
| 908 | |
|---|
| 909 | def _on_invert(self, evt): |
|---|
| 910 | """ |
|---|
| 911 | Perform inversion |
|---|
| 912 | @param silent: when True, there will be no output for the user |
|---|
| 913 | """ |
|---|
| 914 | # Get the data from the form |
|---|
| 915 | # Push it to the manager |
|---|
| 916 | |
|---|
| 917 | flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars() |
|---|
| 918 | has_bck = self.bck_chk.IsChecked() |
|---|
| 919 | |
|---|
| 920 | if flag: |
|---|
| 921 | if self.standalone==False: |
|---|
| 922 | dataset = self.plot_data.GetValue() |
|---|
| 923 | if len(dataset.strip())==0: |
|---|
| 924 | message = "No data to invert. Select a data set before proceeding with P(r) inversion." |
|---|
| 925 | wx.PostEvent(self.manager.parent, StatusEvent(status=message)) |
|---|
| 926 | else: |
|---|
| 927 | self.manager.setup_plot_inversion(alpha=alpha, nfunc=nfunc, |
|---|
| 928 | d_max=dmax, |
|---|
| 929 | q_min=qmin, q_max=qmax, |
|---|
| 930 | bck=has_bck, |
|---|
| 931 | height=height, |
|---|
| 932 | width=width) |
|---|
| 933 | else: |
|---|
| 934 | path = self.data_file.GetValue() |
|---|
| 935 | if len(path.strip())==0: |
|---|
| 936 | message = "No data to invert. Select a data set before proceeding with P(r) inversion." |
|---|
| 937 | wx.PostEvent(self.manager.parent, StatusEvent(status=message)) |
|---|
| 938 | else: |
|---|
| 939 | self.manager.setup_file_inversion(alpha=alpha, nfunc=nfunc, |
|---|
| 940 | d_max=dmax, path=path, |
|---|
| 941 | q_min=qmin, q_max=qmax, |
|---|
| 942 | bck=has_bck, |
|---|
| 943 | height=height, |
|---|
| 944 | width=width) |
|---|
| 945 | |
|---|
| 946 | else: |
|---|
| 947 | message = "The P(r) form contains invalid values: please submit it again." |
|---|
| 948 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
|---|
| 949 | |
|---|
| 950 | def _change_file(self, evt=None, filepath=None): |
|---|
| 951 | """ |
|---|
| 952 | Choose a new input file for I(q) |
|---|
| 953 | """ |
|---|
| 954 | import os |
|---|
| 955 | if not self.manager==None: |
|---|
| 956 | path = self.manager.choose_file(path=filepath) |
|---|
| 957 | |
|---|
| 958 | if path and os.path.isfile(path): |
|---|
| 959 | self.data_file.SetValue(str(path)) |
|---|
| 960 | self.manager.show_data(path, reset=True) |
|---|
| 961 | self._on_pars_changed(None) |
|---|
| 962 | |
|---|
| 963 | class HelpDialog(wx.Dialog): |
|---|
| 964 | def __init__(self, parent, id): |
|---|
| 965 | from sans.pr.invertor import help |
|---|
| 966 | wx.Dialog.__init__(self, parent, id, size=(400, 420)) |
|---|
| 967 | self.SetTitle("P(r) help") |
|---|
| 968 | |
|---|
| 969 | |
|---|
| 970 | vbox = wx.BoxSizer(wx.VERTICAL) |
|---|
| 971 | |
|---|
| 972 | explanation = help() |
|---|
| 973 | |
|---|
| 974 | label_explain = wx.StaticText(self, -1, explanation, size=(350,320)) |
|---|
| 975 | |
|---|
| 976 | vbox.Add(label_explain, 0, wx.ALL|wx.EXPAND, 15) |
|---|
| 977 | |
|---|
| 978 | |
|---|
| 979 | static_line = wx.StaticLine(self, -1) |
|---|
| 980 | vbox.Add(static_line, 0, wx.EXPAND, 0) |
|---|
| 981 | |
|---|
| 982 | button_OK = wx.Button(self, wx.ID_OK, "OK") |
|---|
| 983 | #button_Cancel = wx.Button(self, wx.ID_CANCEL, "Cancel") |
|---|
| 984 | |
|---|
| 985 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
|---|
| 986 | sizer_button.Add((20, 20), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 987 | sizer_button.Add(button_OK, 0, wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10) |
|---|
| 988 | #sizer_button.Add(button_Cancel, 0, wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10) |
|---|
| 989 | vbox.Add(sizer_button, 0, wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
|---|
| 990 | |
|---|
| 991 | self.SetSizer(vbox) |
|---|
| 992 | self.SetAutoLayout(True) |
|---|
| 993 | |
|---|
| 994 | self.Layout() |
|---|
| 995 | self.Centre() |
|---|
| 996 | |
|---|
| 997 | class PrDistDialog(wx.Dialog): |
|---|
| 998 | """ |
|---|
| 999 | Property dialog to let the user change the number |
|---|
| 1000 | of points on the P(r) plot. |
|---|
| 1001 | """ |
|---|
| 1002 | def __init__(self, parent, id): |
|---|
| 1003 | from sans.pr.invertor import help |
|---|
| 1004 | wx.Dialog.__init__(self, parent, id, size=(250, 120)) |
|---|
| 1005 | self.SetTitle("P(r) distribution") |
|---|
| 1006 | |
|---|
| 1007 | |
|---|
| 1008 | vbox = wx.BoxSizer(wx.VERTICAL) |
|---|
| 1009 | |
|---|
| 1010 | label_npts = wx.StaticText(self, -1, "Number of points") |
|---|
| 1011 | self.npts_ctl = wx.TextCtrl(self, -1, size=(100,20)) |
|---|
| 1012 | |
|---|
| 1013 | pars_sizer = wx.GridBagSizer(5,5) |
|---|
| 1014 | iy = 0 |
|---|
| 1015 | pars_sizer.Add(label_npts, (iy,0), (1,1), wx.LEFT, 15) |
|---|
| 1016 | pars_sizer.Add(self.npts_ctl, (iy,1), (1,1), wx.RIGHT, 0) |
|---|
| 1017 | |
|---|
| 1018 | vbox.Add(pars_sizer, 0, wx.ALL|wx.EXPAND, 15) |
|---|
| 1019 | |
|---|
| 1020 | |
|---|
| 1021 | static_line = wx.StaticLine(self, -1) |
|---|
| 1022 | vbox.Add(static_line, 0, wx.EXPAND, 0) |
|---|
| 1023 | |
|---|
| 1024 | button_OK = wx.Button(self, wx.ID_OK, "OK") |
|---|
| 1025 | self.Bind(wx.EVT_BUTTON, self._checkValues, button_OK) |
|---|
| 1026 | button_Cancel = wx.Button(self, wx.ID_CANCEL, "Cancel") |
|---|
| 1027 | |
|---|
| 1028 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
|---|
| 1029 | sizer_button.Add((20, 20), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 1030 | sizer_button.Add(button_OK, 0, wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10) |
|---|
| 1031 | sizer_button.Add(button_Cancel, 0, wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10) |
|---|
| 1032 | vbox.Add(sizer_button, 0, wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
|---|
| 1033 | |
|---|
| 1034 | self.SetSizer(vbox) |
|---|
| 1035 | self.SetAutoLayout(True) |
|---|
| 1036 | |
|---|
| 1037 | self.Layout() |
|---|
| 1038 | self.Centre() |
|---|
| 1039 | |
|---|
| 1040 | def _checkValues(self, event): |
|---|
| 1041 | """ |
|---|
| 1042 | Check the dialog content. |
|---|
| 1043 | """ |
|---|
| 1044 | flag = True |
|---|
| 1045 | try: |
|---|
| 1046 | int(self.npts_ctl.GetValue()) |
|---|
| 1047 | self.npts_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 1048 | self.npts_ctl.Refresh() |
|---|
| 1049 | except: |
|---|
| 1050 | flag = False |
|---|
| 1051 | self.npts_ctl.SetBackgroundColour("pink") |
|---|
| 1052 | self.npts_ctl.Refresh() |
|---|
| 1053 | if flag: |
|---|
| 1054 | event.Skip(True) |
|---|
| 1055 | |
|---|
| 1056 | def get_content(self): |
|---|
| 1057 | """ |
|---|
| 1058 | Return the content of the dialog. |
|---|
| 1059 | At this point the values have already been |
|---|
| 1060 | checked. |
|---|
| 1061 | """ |
|---|
| 1062 | value = int(self.npts_ctl.GetValue()) |
|---|
| 1063 | return value |
|---|
| 1064 | |
|---|
| 1065 | def set_content(self, npts): |
|---|
| 1066 | """ |
|---|
| 1067 | Initialize the content of the dialog. |
|---|
| 1068 | """ |
|---|
| 1069 | self.npts_ctl.SetValue("%i" % npts) |
|---|
| 1070 | |
|---|
| 1071 | |
|---|
| 1072 | class ParsDialog(wx.Panel): |
|---|
| 1073 | """ |
|---|
| 1074 | Dialog box to let the user edit detector settings |
|---|
| 1075 | """ |
|---|
| 1076 | |
|---|
| 1077 | def __init__(self, parent, id = id, file=True, **kwargs): |
|---|
| 1078 | |
|---|
| 1079 | wx.Panel.__init__(self, parent, id = id, **kwargs) |
|---|
| 1080 | self.file = file |
|---|
| 1081 | |
|---|
| 1082 | self.label_nfunc = wx.StaticText(self, -1, "Number of terms") |
|---|
| 1083 | self.label_alpha = wx.StaticText(self, -1, "Regularization constant") |
|---|
| 1084 | self.label_dmax = wx.StaticText(self, -1, "Max distance [A]") |
|---|
| 1085 | |
|---|
| 1086 | # Npts, q max |
|---|
| 1087 | self.nfunc_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 1088 | self.alpha_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 1089 | self.dmax_ctl = wx.TextCtrl(self, -1, size=(60,20)) |
|---|
| 1090 | |
|---|
| 1091 | self.label_file = None |
|---|
| 1092 | self.file_ctl = None |
|---|
| 1093 | |
|---|
| 1094 | self.static_line_3 = wx.StaticLine(self, -1) |
|---|
| 1095 | |
|---|
| 1096 | |
|---|
| 1097 | |
|---|
| 1098 | self.__do_layout() |
|---|
| 1099 | |
|---|
| 1100 | self.Fit() |
|---|
| 1101 | |
|---|
| 1102 | def _load_file(self, evt): |
|---|
| 1103 | import os |
|---|
| 1104 | path = None |
|---|
| 1105 | dlg = wx.FileDialog(self, "Choose a file", os.getcwd(), "", "*.txt", wx.OPEN) |
|---|
| 1106 | if dlg.ShowModal() == wx.ID_OK: |
|---|
| 1107 | path = dlg.GetPath() |
|---|
| 1108 | mypath = os.path.basename(path) |
|---|
| 1109 | dlg.Destroy() |
|---|
| 1110 | |
|---|
| 1111 | if path and os.path.isfile(path): |
|---|
| 1112 | self.file_ctl.SetValue(str(path)) |
|---|
| 1113 | |
|---|
| 1114 | |
|---|
| 1115 | def checkValues(self, event): |
|---|
| 1116 | flag = True |
|---|
| 1117 | try: |
|---|
| 1118 | float(self.alpha_ctl.GetValue()) |
|---|
| 1119 | self.alpha_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 1120 | self.alpha_ctl.Refresh() |
|---|
| 1121 | except: |
|---|
| 1122 | flag = False |
|---|
| 1123 | self.alpha_ctl.SetBackgroundColour("pink") |
|---|
| 1124 | self.alpha_ctl.Refresh() |
|---|
| 1125 | |
|---|
| 1126 | try: |
|---|
| 1127 | float(self.dmax_ctl.GetValue()) |
|---|
| 1128 | self.dmax_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 1129 | self.dmax_ctl.Refresh() |
|---|
| 1130 | except: |
|---|
| 1131 | flag = False |
|---|
| 1132 | self.dmax_ctl.SetBackgroundColour("pink") |
|---|
| 1133 | self.dmax_ctl.Refresh() |
|---|
| 1134 | |
|---|
| 1135 | try: |
|---|
| 1136 | int(self.nfunc_ctl.GetValue()) |
|---|
| 1137 | self.nfunc_ctl.SetBackgroundColour(wx.WHITE) |
|---|
| 1138 | self.nfunc_ctl.Refresh() |
|---|
| 1139 | except: |
|---|
| 1140 | flag = False |
|---|
| 1141 | self.nfunc_ctl.SetBackgroundColour("pink") |
|---|
| 1142 | self.nfunc_ctl.Refresh() |
|---|
| 1143 | |
|---|
| 1144 | if flag: |
|---|
| 1145 | event.Skip(True) |
|---|
| 1146 | |
|---|
| 1147 | def setContent(self, nfunc, alpha, dmax, file): |
|---|
| 1148 | self.nfunc_ctl.SetValue(str(nfunc)) |
|---|
| 1149 | self.alpha_ctl.SetValue(str(alpha)) |
|---|
| 1150 | self.dmax_ctl.SetValue(str(dmax)) |
|---|
| 1151 | if self.file: |
|---|
| 1152 | self.file_ctl.SetValue(str(file)) |
|---|
| 1153 | |
|---|
| 1154 | def getContent(self): |
|---|
| 1155 | nfunc = int(self.nfunc_ctl.GetValue()) |
|---|
| 1156 | alpha = float(self.alpha_ctl.GetValue()) |
|---|
| 1157 | dmax = float(self.dmax_ctl.GetValue()) |
|---|
| 1158 | file = None |
|---|
| 1159 | if self.file: |
|---|
| 1160 | file = self.file_ctl.GetValue() |
|---|
| 1161 | return nfunc, alpha, dmax, file |
|---|
| 1162 | |
|---|
| 1163 | |
|---|
| 1164 | def __do_layout(self): |
|---|
| 1165 | sizer_main = wx.BoxSizer(wx.VERTICAL) |
|---|
| 1166 | sizer_params = wx.GridBagSizer(5,5) |
|---|
| 1167 | |
|---|
| 1168 | iy = 0 |
|---|
| 1169 | sizer_params.Add(self.label_nfunc, (iy,0), (1,1), wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
|---|
| 1170 | sizer_params.Add(self.nfunc_ctl, (iy,1), (1,1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 1171 | iy += 1 |
|---|
| 1172 | sizer_params.Add(self.label_alpha, (iy,0), (1,1), wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
|---|
| 1173 | sizer_params.Add(self.alpha_ctl, (iy,1), (1,1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 1174 | iy += 1 |
|---|
| 1175 | sizer_params.Add(self.label_dmax, (iy,0), (1,1), wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
|---|
| 1176 | sizer_params.Add(self.dmax_ctl, (iy,1), (1,1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 1177 | iy += 1 |
|---|
| 1178 | if self.file: |
|---|
| 1179 | self.label_file = wx.StaticText(self, -1, "Input file") |
|---|
| 1180 | self.file_ctl = wx.TextCtrl(self, -1, size=(120,20)) |
|---|
| 1181 | sizer_params.Add(self.label_file, (iy,0), (1,1), wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
|---|
| 1182 | sizer_params.Add(self.file_ctl, (iy,1), (1,1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
|---|
| 1183 | |
|---|
| 1184 | sizer_main.Add(sizer_params, 0, wx.EXPAND|wx.ALL, 10) |
|---|
| 1185 | |
|---|
| 1186 | |
|---|
| 1187 | if self.file: |
|---|
| 1188 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
|---|
| 1189 | self.button_load = wx.Button(self, 1, "Choose file") |
|---|
| 1190 | self.Bind(wx.EVT_BUTTON, self._load_file, id = 1) |
|---|
| 1191 | sizer_button.Add(self.button_load, 0, wx.LEFT|wx.ADJUST_MINSIZE, 10) |
|---|
| 1192 | |
|---|
| 1193 | |
|---|
| 1194 | sizer_main.Add(sizer_button, 0, wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
|---|
| 1195 | self.SetAutoLayout(True) |
|---|
| 1196 | self.SetSizer(sizer_main) |
|---|
| 1197 | self.Layout() |
|---|
| 1198 | self.Centre() |
|---|
| 1199 | # end wxGlade |
|---|
| 1200 | |
|---|
| 1201 | |
|---|
| 1202 | # end of class DialogAbout |
|---|
| 1203 | |
|---|
| 1204 | ##### testing code ############################################################ |
|---|
| 1205 | class TestPlot: |
|---|
| 1206 | def __init__(self, text): |
|---|
| 1207 | self.name = text |
|---|
| 1208 | |
|---|
| 1209 | class MyApp(wx.App): |
|---|
| 1210 | def OnInit(self): |
|---|
| 1211 | wx.InitAllImageHandlers() |
|---|
| 1212 | dialog = PrDistDialog(None, -1) |
|---|
| 1213 | if dialog.ShowModal() == wx.ID_OK: |
|---|
| 1214 | pass |
|---|
| 1215 | dialog.Destroy() |
|---|
| 1216 | |
|---|
| 1217 | return 1 |
|---|
| 1218 | |
|---|
| 1219 | # end of class MyApp |
|---|
| 1220 | |
|---|
| 1221 | if __name__ == "__main__": |
|---|
| 1222 | app = MyApp(0) |
|---|
| 1223 | app.MainLoop() |
|---|
| 1224 | |
|---|
| 1225 | ##### end of testing code ##################################################### |
|---|
