1 | |
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2 | ################################################################################ |
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3 | #This software was developed by the University of Tennessee as part of the |
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4 | #Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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5 | #project funded by the US National Science Foundation. |
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6 | # |
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7 | #See the license text in license.txt |
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8 | # |
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9 | #copyright 2009, University of Tennessee |
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10 | ################################################################################ |
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11 | |
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12 | """ |
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13 | Dialog panel to explore the P(r) inversion results for a range |
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14 | of D_max value. User picks a number of points and a range of |
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15 | distances, then can toggle between inversion outputs and see |
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16 | their distribution as a function of D_max. |
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17 | """ |
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18 | |
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19 | |
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20 | import wx |
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21 | import numpy |
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22 | import math |
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23 | import logging |
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24 | import sys |
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25 | |
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26 | # Avoid Matplotlib complaining about the lack of legend on the plot |
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27 | import warnings |
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28 | warnings.simplefilter("ignore") |
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29 | |
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30 | # Import plotting classes |
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31 | from danse.common.plottools.PlotPanel import PlotPanel |
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32 | from danse.common.plottools import Data1D as Model1D |
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33 | from sans.guiframe.gui_style import GUIFRAME_ID |
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34 | from danse.common.plottools.plottables import Graph |
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35 | |
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36 | from pr_widgets import PrTextCtrl |
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37 | |
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38 | # Default number of points on the output plot |
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39 | DEFAULT_NPTS = 10 |
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40 | # Default output parameter to plot |
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41 | DEFAULT_OUTPUT = 'Chi2/dof' |
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42 | |
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43 | class OutputPlot(PlotPanel): |
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44 | """ |
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45 | Plot panel used to show the selected results as a function |
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46 | of D_max |
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47 | """ |
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48 | def __init__(self, d_min, d_max, parent, id = -1, color = None,\ |
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49 | dpi = None, style = wx.NO_FULL_REPAINT_ON_RESIZE, **kwargs): |
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50 | """ |
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51 | Initialization. The parameters added to PlotPanel are: |
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52 | |
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53 | :param d_min: Minimum value of D_max to explore |
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54 | :param d_max: Maximum value of D_max to explore |
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55 | |
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56 | """ |
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57 | PlotPanel.__init__(self, parent, id = id, style = style, **kwargs) |
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58 | |
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59 | self.parent = parent |
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60 | self.min = d_min |
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61 | self.max = d_max |
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62 | self.npts = DEFAULT_NPTS |
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63 | |
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64 | step = (self.max-self.min)/(self.npts-1) |
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65 | self.x = numpy.arange(self.min, self.max+step*0.01, step) |
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66 | dx = numpy.zeros(len(self.x)) |
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67 | y = numpy.ones(len(self.x)) |
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68 | dy = numpy.zeros(len(self.x)) |
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69 | |
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70 | # Plot area |
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71 | self.plot = Model1D(self.x, y=y, dy=dy) |
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72 | self.plot.name = DEFAULT_OUTPUT |
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73 | self.plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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74 | |
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75 | # Graph |
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76 | self.graph = Graph() |
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77 | self.graph.xaxis("\\rm{D_{max}}", 'A') |
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78 | self.graph.yaxis("\\rm{%s}" % DEFAULT_OUTPUT,"") |
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79 | self.graph.add(self.plot) |
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80 | self.graph.render(self) |
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81 | |
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82 | def onContextMenu(self, event): |
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83 | """ |
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84 | Default context menu for the plot panel |
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85 | |
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86 | :TODO: Would be nice to add printing and log/linear scales. |
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87 | The current verison of plottools no longer plays well with |
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88 | plots outside of guiframe. Guiframe team needs to fix this. |
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89 | """ |
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90 | # Slicer plot popup menu |
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91 | id = wx.NewId() |
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92 | slicerpop = wx.Menu() |
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93 | slicerpop.Append(id, '&Save image', 'Save image as PNG') |
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94 | wx.EVT_MENU(self, id, self.onSaveImage) |
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95 | |
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96 | id = wx.NewId() |
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97 | slicerpop.AppendSeparator() |
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98 | slicerpop.Append(id, '&Reset Graph') |
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99 | wx.EVT_MENU(self, id, self.onResetGraph) |
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100 | |
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101 | pos = event.GetPosition() |
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102 | pos = self.ScreenToClient(pos) |
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103 | self.PopupMenu(slicerpop, pos) |
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104 | |
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105 | class Results: |
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106 | """ |
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107 | Class to hold the inversion output parameters |
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108 | as a function of D_max |
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109 | """ |
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110 | def __init__(self): |
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111 | """ |
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112 | Initialization. Create empty arrays |
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113 | and dictionary of labels. |
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114 | """ |
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115 | # Array of output for each inversion |
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116 | self.chi2 = [] |
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117 | self.osc = [] |
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118 | self.pos = [] |
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119 | self.pos_err = [] |
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120 | self.rg = [] |
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121 | self.iq0 = [] |
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122 | self.bck = [] |
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123 | self.d_max = [] |
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124 | |
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125 | # Dictionary of outputs |
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126 | self.outputs = {} |
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127 | self.outputs['Chi2/dof'] = ["\chi^2/dof", "a.u.", self.chi2] |
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128 | self.outputs['Oscillation parameter'] = ["Osc", "a.u.", self.osc] |
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129 | self.outputs['Positive fraction'] = ["P^+", "a.u.", self.pos] |
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130 | self.outputs['1-sigma positive fraction'] = ["P^+_{1\ \sigma}", |
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131 | "a.u.", self.pos_err] |
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132 | self.outputs['Rg'] = ["R_g", "A", self.rg] |
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133 | self.outputs['I(q=0)'] = ["I(q=0)", "1/A", self.iq0] |
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134 | self.outputs['Background'] = ["Bck", "1/A", self.bck] |
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135 | |
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136 | class ExploreDialog(wx.Dialog): |
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137 | """ |
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138 | The explorer dialog box. This dialog is meant to be |
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139 | invoked by the InversionControl class. |
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140 | """ |
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141 | |
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142 | def __init__(self, pr_state, nfunc, *args, **kwds): |
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143 | """ |
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144 | Initialization. The parameters added to Dialog are: |
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145 | |
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146 | :param pr_state: sans.pr.invertor.Invertor object |
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147 | :param nfunc: Number of terms in the expansion |
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148 | |
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149 | """ |
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150 | kwds["style"] = wx.RESIZE_BORDER|wx.DEFAULT_DIALOG_STYLE |
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151 | wx.Dialog.__init__(self, *args, **kwds) |
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152 | |
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153 | # Initialize Results object |
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154 | self.results = Results() |
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155 | |
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156 | self.pr_state = pr_state |
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157 | self._default_min = 0.9*self.pr_state.d_max |
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158 | self._default_max = 1.1*self.pr_state.d_max |
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159 | self.nfunc = nfunc |
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160 | |
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161 | # Control for number of points |
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162 | self.npts_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, |
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163 | size=(60,20)) |
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164 | # Control for the minimum value of D_max |
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165 | self.dmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, |
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166 | size=(60,20)) |
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167 | # Control for the maximum value of D_max |
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168 | self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, |
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169 | size=(60,20)) |
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170 | |
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171 | # Output selection box for the y axis |
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172 | self.output_box = None |
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173 | |
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174 | # Create the plot object |
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175 | self.plotpanel = OutputPlot(self._default_min, self._default_max, |
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176 | self, -1, style=wx.RAISED_BORDER) |
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177 | |
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178 | # Create the layout of the dialog |
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179 | self.__do_layout() |
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180 | self.Fit() |
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181 | |
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182 | # Calculate exploration results |
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183 | self._recalc() |
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184 | # Graph the default output curve |
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185 | self._plot_output() |
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186 | |
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187 | class Event: |
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188 | """ |
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189 | Class that holds the content of the form |
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190 | """ |
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191 | ## Number of points to be plotted |
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192 | npts = 0 |
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193 | ## Minimum value of D_max |
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194 | dmin = 0 |
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195 | ## Maximum value of D_max |
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196 | dmax = 0 |
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197 | |
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198 | def _get_values(self, event=None): |
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199 | """ |
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200 | Invoked when the user changes a value of the form. |
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201 | Check that the values are of the right type. |
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202 | |
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203 | :return: ExploreDialog.Event object if the content is good, |
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204 | None otherwise |
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205 | """ |
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206 | # Flag to make sure that all values are good |
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207 | flag = True |
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208 | |
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209 | # Empty ExploreDialog.Event content |
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210 | content_event = self.Event() |
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211 | |
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212 | # Read each text control and make sure the type is valid |
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213 | # Let the user know if a type is invalid by changing the |
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214 | # background color of the control. |
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215 | try: |
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216 | content_event.npts = int(self.npts_ctl.GetValue()) |
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217 | self.npts_ctl.SetBackgroundColour(wx.WHITE) |
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218 | self.npts_ctl.Refresh() |
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219 | except: |
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220 | flag = False |
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221 | self.npts_ctl.SetBackgroundColour("pink") |
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222 | self.npts_ctl.Refresh() |
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223 | |
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224 | try: |
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225 | content_event.dmin = float(self.dmin_ctl.GetValue()) |
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226 | self.dmin_ctl.SetBackgroundColour(wx.WHITE) |
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227 | self.dmin_ctl.Refresh() |
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228 | except: |
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229 | flag = False |
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230 | self.dmin_ctl.SetBackgroundColour("pink") |
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231 | self.dmin_ctl.Refresh() |
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232 | |
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233 | try: |
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234 | content_event.dmax = float(self.dmax_ctl.GetValue()) |
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235 | self.dmax_ctl.SetBackgroundColour(wx.WHITE) |
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236 | self.dmax_ctl.Refresh() |
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237 | except: |
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238 | flag = False |
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239 | self.dmax_ctl.SetBackgroundColour("pink") |
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240 | self.dmax_ctl.Refresh() |
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241 | |
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242 | # If the content of the form is valid, return the content, |
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243 | # otherwise return None |
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244 | if flag: |
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245 | if event is not None: |
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246 | event.Skip(True) |
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247 | return content_event |
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248 | else: |
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249 | return None |
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250 | |
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251 | def _plot_output(self, event=None): |
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252 | """ |
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253 | Invoked when a new output type is selected for plotting, |
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254 | or when a new computation is finished. |
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255 | """ |
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256 | # Get the output type selection |
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257 | output_type = self.output_box.GetString(self.output_box.GetSelection()) |
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258 | |
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259 | # If the selected output type is part of the results ojbect, |
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260 | # display the results. |
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261 | # Note: by design, the output type should always be part of the |
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262 | # results object. |
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263 | if self.results.outputs.has_key(output_type): |
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264 | self.plotpanel.plot.x = self.results.d_max |
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265 | self.plotpanel.plot.y = self.results.outputs[output_type][2] |
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266 | self.plotpanel.plot.name = '_nolegend_' |
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267 | y_label = "\\rm{%s}" % self.results.outputs[output_type][0] |
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268 | self.plotpanel.graph.yaxis(y_label, |
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269 | self.results.outputs[output_type][1]) |
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270 | |
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271 | # Redraw |
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272 | self.plotpanel.graph.render(self.plotpanel) |
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273 | self.plotpanel.subplot.figure.canvas.draw_idle() |
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274 | else: |
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275 | msg = "ExploreDialog: the Results object's dictionary " |
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276 | msg += "does not contain " |
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277 | msg += "the [%s] output type. This must be indicative of " |
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278 | msg += "a change in the " % str(output_type) |
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279 | msg += "ExploreDialog code." |
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280 | logging.error(msg) |
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281 | |
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282 | def __do_layout(self): |
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283 | """ |
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284 | Do the layout of the dialog |
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285 | """ |
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286 | # Dialog box properties |
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287 | self.SetTitle("D_max Explorer") |
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288 | self.SetSize((600, 595)) |
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289 | |
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290 | sizer_main = wx.BoxSizer(wx.VERTICAL) |
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291 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
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292 | sizer_params = wx.GridBagSizer(5, 5) |
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293 | |
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294 | iy = 0 |
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295 | ix = 0 |
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296 | label_npts = wx.StaticText(self, -1, "Npts") |
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297 | sizer_params.Add(label_npts, (iy, ix), (1, 1), |
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298 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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299 | ix += 1 |
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300 | sizer_params.Add(self.npts_ctl, (iy, ix), (1, 1), |
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301 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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302 | self.npts_ctl.SetValue("%g" % DEFAULT_NPTS) |
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303 | self.npts_ctl.Bind(wx.EVT_KILL_FOCUS, self._recalc) |
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304 | |
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305 | ix += 1 |
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306 | label_dmin = wx.StaticText(self, -1, "Min Distance [A]") |
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307 | sizer_params.Add(label_dmin, (iy, ix), (1, 1), |
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308 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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309 | ix += 1 |
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310 | sizer_params.Add(self.dmin_ctl, (iy, ix), (1, 1), |
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311 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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312 | self.dmin_ctl.SetValue(str(self._default_min)) |
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313 | self.dmin_ctl.Bind(wx.EVT_KILL_FOCUS, self._recalc) |
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314 | |
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315 | ix += 1 |
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316 | label_dmax = wx.StaticText(self, -1, "Max Distance [A]") |
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317 | sizer_params.Add(label_dmax, (iy, ix), (1, 1), |
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318 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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319 | ix += 1 |
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320 | sizer_params.Add(self.dmax_ctl, (iy, ix), (1, 1), |
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321 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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322 | self.dmax_ctl.SetValue(str(self._default_max)) |
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323 | self.dmax_ctl.Bind(wx.EVT_KILL_FOCUS, self._recalc) |
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324 | |
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325 | |
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326 | # Ouput selection box |
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327 | selection_msg = wx.StaticText(self, -1, "Select a dependent variable:") |
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328 | self.output_box = wx.ComboBox(self, -1) |
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329 | for item in self.results.outputs.keys(): |
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330 | self.output_box.Append(item, "") |
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331 | self.output_box.SetStringSelection(DEFAULT_OUTPUT) |
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332 | |
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333 | output_sizer = wx.GridBagSizer(5, 5) |
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334 | output_sizer.Add(selection_msg, (0, 0), (1, 1), |
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335 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 10) |
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336 | output_sizer.Add(self.output_box, (0, 1), (1, 2), |
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337 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 10) |
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338 | |
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339 | wx.EVT_COMBOBOX(self.output_box, -1, self._plot_output) |
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340 | sizer_main.Add(output_sizer, 0, wx.EXPAND | wx.ALL, 10) |
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341 | |
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342 | sizer_main.Add(self.plotpanel, 0, wx.EXPAND | wx.ALL, 10) |
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343 | sizer_main.SetItemMinSize(self.plotpanel, 400, 400) |
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344 | |
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345 | sizer_main.Add(sizer_params, 0, wx.EXPAND|wx.ALL, 10) |
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346 | static_line_3 = wx.StaticLine(self, -1) |
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347 | sizer_main.Add(static_line_3, 0, wx.EXPAND, 0) |
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348 | |
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349 | # Bottom area with the close button |
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350 | sizer_button.Add((20, 20), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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351 | button_OK = wx.Button(self, wx.ID_OK, "Close") |
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352 | sizer_button.Add(button_OK, 0, wx.LEFT|wx.RIGHT|wx.ADJUST_MINSIZE, 10) |
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353 | |
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354 | sizer_main.Add(sizer_button, 0, wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
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355 | self.SetAutoLayout(True) |
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356 | self.SetSizer(sizer_main) |
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357 | self.Layout() |
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358 | self.Centre() |
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359 | |
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360 | # Bind the Enter key to recalculation |
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361 | self.Bind(wx.EVT_TEXT_ENTER, self._recalc) |
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362 | |
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363 | def _recalc(self, event=None): |
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364 | """ |
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365 | Invoked when the user changed a value on the form. |
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366 | Process the form and compute the output to be plottted. |
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367 | """ |
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368 | # Get the content of the form |
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369 | content = self._get_values() |
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370 | # If the content of the form is invalid, return and do nothing |
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371 | if content is None: |
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372 | return |
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373 | |
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374 | # Results object to store the computation outputs. |
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375 | results = Results() |
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376 | |
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377 | # Loop over d_max values |
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378 | for i in range(content.npts): |
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379 | temp = (content.dmax - content.dmin)/(content.npts - 1.0) |
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380 | d = content.dmin + i * temp |
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381 | |
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382 | self.pr_state.d_max = d |
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383 | try: |
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384 | out, cov = self.pr_state.invert(self.nfunc) |
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385 | |
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386 | # Store results |
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387 | iq0 = self.pr_state.iq0(out) |
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388 | rg = self.pr_state.rg(out) |
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389 | pos = self.pr_state.get_positive(out) |
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390 | pos_err = self.pr_state.get_pos_err(out, cov) |
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391 | osc = self.pr_state.oscillations(out) |
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392 | |
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393 | results.d_max.append(self.pr_state.d_max) |
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394 | results.bck.append(self.pr_state.background) |
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395 | results.chi2.append(self.pr_state.chi2) |
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396 | results.iq0.append(iq0) |
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397 | results.rg.append(rg) |
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398 | results.pos.append(pos) |
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399 | results.pos_err.append(pos_err) |
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400 | results.osc.append(osc) |
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401 | except: |
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402 | # This inversion failed, skip this D_max value |
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403 | msg = "ExploreDialog: inversion failed " |
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404 | msg += "for D_max=%s\n%s" % (str(d), sys.exc_value) |
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405 | logging.error(msg) |
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406 | |
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407 | self.results = results |
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408 | |
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409 | # Plot the selected output |
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410 | self._plot_output() |
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411 | |
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412 | ##### testing code ############################################################ |
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413 | """ |
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414 | Example: :: |
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415 | |
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416 | class MyApp(wx.App): |
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417 | |
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418 | #Test application used to invoke the ExploreDialog for testing |
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419 | |
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420 | def OnInit(self): |
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421 | from inversion_state import Reader |
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422 | from sans.pr.invertor import Invertor |
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423 | wx.InitAllImageHandlers() |
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424 | |
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425 | def call_back(state, datainfo=None): |
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426 | |
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427 | #Dummy call-back method used by the P(r) |
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428 | #file reader. |
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429 | |
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430 | print state |
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431 | |
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432 | # Load test data |
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433 | # This would normally be loaded by the application |
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434 | # of the P(r) plug-in. |
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435 | r = Reader(call_back) |
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436 | data = r.read("test_pr_data.prv") |
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437 | pr_state = data.meta_data['prstate'] |
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438 | |
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439 | # Create Invertor object for the data |
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440 | # This would normally be assembled by the P(r) plug-in |
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441 | pr = Invertor() |
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442 | pr.d_max = pr_state.d_max |
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443 | pr.alpha = pr_state.alpha |
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444 | pr.q_min = pr_state.qmin |
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445 | pr.q_max = pr_state.qmax |
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446 | pr.x = data.x |
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447 | pr.y = data.y |
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448 | pr.err = data.y*0.1 |
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449 | pr.has_bck = False |
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450 | pr.slit_height = pr_state.height |
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451 | pr.slit_width = pr_state.width |
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452 | |
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453 | # Create the dialog |
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454 | dialog = ExploreDialog(pr, 10, None, -1, "") |
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455 | self.SetTopWindow(dialog) |
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456 | dialog.ShowModal() |
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457 | dialog.Destroy() |
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458 | |
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459 | return 1 |
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460 | |
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461 | if __name__ == "__main__": |
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462 | app = MyApp(0) |
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463 | app.MainLoop() |
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464 | |
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465 | """ |
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