[a00ee4c] | 1 | |
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[7116b6e0] | 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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[8b21fa7] | 5 | #project funded by the US National Science Foundation. |
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[7116b6e0] | 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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[a00ee4c] | 11 | |
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| 12 | """ |
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[7116b6e0] | 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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[8b21fa7] | 18 | |
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[7116b6e0] | 19 | |
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[a00ee4c] | 20 | import wx |
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| 21 | import numpy |
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| 22 | import logging |
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[3b865c1] | 23 | import sys |
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[a00ee4c] | 24 | |
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[8b21fa7] | 25 | # Avoid Matplotlib complaining about the lack of legend on the plot |
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[a00ee4c] | 26 | import warnings |
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| 27 | warnings.simplefilter("ignore") |
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| 28 | |
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| 29 | # Import plotting classes |
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[79492222] | 30 | from sas.plottools.PlotPanel import PlotPanel |
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| 31 | from sas.plottools import Data1D as Model1D |
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| 32 | from sas.guiframe.gui_style import GUIFRAME_ID |
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| 33 | from sas.plottools.plottables import Graph |
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[a00ee4c] | 34 | |
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[9ff861b] | 35 | from pr_widgets import PrTextCtrl |
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| 36 | |
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[a00ee4c] | 37 | # Default number of points on the output plot |
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| 38 | DEFAULT_NPTS = 10 |
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| 39 | # Default output parameter to plot |
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| 40 | DEFAULT_OUTPUT = 'Chi2/dof' |
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| 41 | |
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| 42 | class OutputPlot(PlotPanel): |
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| 43 | """ |
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[7116b6e0] | 44 | Plot panel used to show the selected results as a function |
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| 45 | of D_max |
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[a00ee4c] | 46 | """ |
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[8b21fa7] | 47 | def __init__(self, d_min, d_max, parent, id= -1, color=None, \ |
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| 48 | dpi=None, style=wx.NO_FULL_REPAINT_ON_RESIZE, **kwargs): |
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[a00ee4c] | 49 | """ |
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[7116b6e0] | 50 | Initialization. The parameters added to PlotPanel are: |
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[8b21fa7] | 51 | |
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[7116b6e0] | 52 | :param d_min: Minimum value of D_max to explore |
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| 53 | :param d_max: Maximum value of D_max to explore |
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[8b21fa7] | 54 | |
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[a00ee4c] | 55 | """ |
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[8b21fa7] | 56 | PlotPanel.__init__(self, parent, id=id, style=style, **kwargs) |
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[a00ee4c] | 57 | |
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| 58 | self.parent = parent |
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| 59 | self.min = d_min |
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| 60 | self.max = d_max |
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| 61 | self.npts = DEFAULT_NPTS |
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| 62 | |
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[8b21fa7] | 63 | step = (self.max - self.min) / (self.npts - 1) |
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| 64 | self.x = numpy.arange(self.min, self.max + step * 0.01, step) |
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[a00ee4c] | 65 | dx = numpy.zeros(len(self.x)) |
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| 66 | y = numpy.ones(len(self.x)) |
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| 67 | dy = numpy.zeros(len(self.x)) |
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[8b21fa7] | 68 | |
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[a00ee4c] | 69 | # Plot area |
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[3e41f43] | 70 | self.plot = Model1D(self.x, y=y, dy=dy) |
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[a00ee4c] | 71 | self.plot.name = DEFAULT_OUTPUT |
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[c03fb16] | 72 | self.plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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[a00ee4c] | 73 | |
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| 74 | # Graph |
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| 75 | self.graph = Graph() |
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| 76 | self.graph.xaxis("\\rm{D_{max}}", 'A') |
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[8b21fa7] | 77 | self.graph.yaxis("\\rm{%s}" % DEFAULT_OUTPUT, "") |
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[a00ee4c] | 78 | self.graph.add(self.plot) |
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| 79 | self.graph.render(self) |
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[8b21fa7] | 80 | |
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[67dd757] | 81 | self.toolbar.DeleteToolByPos(0) |
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| 82 | self.toolbar.DeleteToolByPos(8) |
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| 83 | self.toolbar.Realize() |
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[a00ee4c] | 84 | |
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| 85 | def onContextMenu(self, event): |
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| 86 | """ |
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[7116b6e0] | 87 | Default context menu for the plot panel |
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[8b21fa7] | 88 | |
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[7116b6e0] | 89 | :TODO: Would be nice to add printing and log/linear scales. |
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[8b21fa7] | 90 | The current verison of plottools no longer plays well with |
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| 91 | plots outside of guiframe. Guiframe team needs to fix this. |
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[a00ee4c] | 92 | """ |
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| 93 | # Slicer plot popup menu |
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[8b21fa7] | 94 | wx_id = wx.NewId() |
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[a00ee4c] | 95 | slicerpop = wx.Menu() |
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[8b21fa7] | 96 | slicerpop.Append(wx_id, '&Save image', 'Save image as PNG') |
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| 97 | wx.EVT_MENU(self, wx_id, self.onSaveImage) |
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| 98 | |
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| 99 | wx_id = wx.NewId() |
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[a00ee4c] | 100 | slicerpop.AppendSeparator() |
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[8b21fa7] | 101 | slicerpop.Append(wx_id, '&Reset Graph') |
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| 102 | wx.EVT_MENU(self, wx_id, self.onResetGraph) |
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| 103 | |
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[a00ee4c] | 104 | pos = event.GetPosition() |
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| 105 | pos = self.ScreenToClient(pos) |
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| 106 | self.PopupMenu(slicerpop, pos) |
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| 107 | |
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[8b21fa7] | 108 | class Results(object): |
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[a00ee4c] | 109 | """ |
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[7116b6e0] | 110 | Class to hold the inversion output parameters |
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| 111 | as a function of D_max |
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[a00ee4c] | 112 | """ |
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| 113 | def __init__(self): |
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| 114 | """ |
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[7116b6e0] | 115 | Initialization. Create empty arrays |
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| 116 | and dictionary of labels. |
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[a00ee4c] | 117 | """ |
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| 118 | # Array of output for each inversion |
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| 119 | self.chi2 = [] |
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| 120 | self.osc = [] |
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| 121 | self.pos = [] |
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| 122 | self.pos_err = [] |
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| 123 | self.rg = [] |
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| 124 | self.iq0 = [] |
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| 125 | self.bck = [] |
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| 126 | self.d_max = [] |
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[8b21fa7] | 127 | |
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[a00ee4c] | 128 | # Dictionary of outputs |
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| 129 | self.outputs = {} |
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[8b21fa7] | 130 | self.outputs['Chi2/dof'] = ["\chi^2/dof", "a.u.", self.chi2] |
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| 131 | self.outputs['Oscillation parameter'] = ["Osc", "a.u.", self.osc] |
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| 132 | self.outputs['Positive fraction'] = ["P^+", "a.u.", self.pos] |
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| 133 | self.outputs['1-sigma positive fraction'] = ["P^+_{1\ \sigma}", |
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| 134 | "a.u.", self.pos_err] |
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| 135 | self.outputs['Rg'] = ["R_g", "A", self.rg] |
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| 136 | self.outputs['I(q=0)'] = ["I(q=0)", "1/A", self.iq0] |
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| 137 | self.outputs['Background'] = ["Bck", "1/A", self.bck] |
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| 138 | |
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[a00ee4c] | 139 | class ExploreDialog(wx.Dialog): |
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| 140 | """ |
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[7116b6e0] | 141 | The explorer dialog box. This dialog is meant to be |
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| 142 | invoked by the InversionControl class. |
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[a00ee4c] | 143 | """ |
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[8b21fa7] | 144 | |
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[a00ee4c] | 145 | def __init__(self, pr_state, nfunc, *args, **kwds): |
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| 146 | """ |
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[7116b6e0] | 147 | Initialization. The parameters added to Dialog are: |
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[8b21fa7] | 148 | |
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[79492222] | 149 | :param pr_state: sas.pr.invertor.Invertor object |
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[7116b6e0] | 150 | :param nfunc: Number of terms in the expansion |
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[8b21fa7] | 151 | |
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[a00ee4c] | 152 | """ |
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[8b21fa7] | 153 | kwds["style"] = wx.RESIZE_BORDER | wx.DEFAULT_DIALOG_STYLE |
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[a00ee4c] | 154 | wx.Dialog.__init__(self, *args, **kwds) |
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[8b21fa7] | 155 | |
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[a00ee4c] | 156 | # Initialize Results object |
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| 157 | self.results = Results() |
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[8b21fa7] | 158 | |
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| 159 | self.pr_state = pr_state |
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| 160 | self._default_min = 0.9 * self.pr_state.d_max |
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| 161 | self._default_max = 1.1 * self.pr_state.d_max |
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| 162 | self.nfunc = nfunc |
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| 163 | |
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[a00ee4c] | 164 | # Control for number of points |
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[3e41f43] | 165 | self.npts_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, |
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[8b21fa7] | 166 | size=(60, 20)) |
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[a00ee4c] | 167 | # Control for the minimum value of D_max |
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[3e41f43] | 168 | self.dmin_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, |
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[8b21fa7] | 169 | size=(60, 20)) |
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[a00ee4c] | 170 | # Control for the maximum value of D_max |
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[3e41f43] | 171 | self.dmax_ctl = PrTextCtrl(self, -1, style=wx.TE_PROCESS_ENTER, |
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[8b21fa7] | 172 | size=(60, 20)) |
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[a00ee4c] | 173 | |
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| 174 | # Output selection box for the y axis |
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| 175 | self.output_box = None |
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| 176 | |
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| 177 | # Create the plot object |
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[3e41f43] | 178 | self.plotpanel = OutputPlot(self._default_min, self._default_max, |
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| 179 | self, -1, style=wx.RAISED_BORDER) |
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[8b21fa7] | 180 | |
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[a00ee4c] | 181 | # Create the layout of the dialog |
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| 182 | self.__do_layout() |
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| 183 | self.Fit() |
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[8b21fa7] | 184 | |
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[a00ee4c] | 185 | # Calculate exploration results |
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| 186 | self._recalc() |
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| 187 | # Graph the default output curve |
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[164c7d0] | 188 | self._plot_output() |
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[8b21fa7] | 189 | |
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| 190 | class Event(object): |
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[a00ee4c] | 191 | """ |
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[7116b6e0] | 192 | Class that holds the content of the form |
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[a00ee4c] | 193 | """ |
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| 194 | ## Number of points to be plotted |
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[8b21fa7] | 195 | npts = 0 |
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[a00ee4c] | 196 | ## Minimum value of D_max |
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[8b21fa7] | 197 | dmin = 0 |
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[a00ee4c] | 198 | ## Maximum value of D_max |
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[8b21fa7] | 199 | dmax = 0 |
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| 200 | |
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[164c7d0] | 201 | def _get_values(self, event=None): |
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[a00ee4c] | 202 | """ |
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[7116b6e0] | 203 | Invoked when the user changes a value of the form. |
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| 204 | Check that the values are of the right type. |
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[8b21fa7] | 205 | |
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| 206 | :return: ExploreDialog.Event object if the content is good, |
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[7116b6e0] | 207 | None otherwise |
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[a00ee4c] | 208 | """ |
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| 209 | # Flag to make sure that all values are good |
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| 210 | flag = True |
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[8b21fa7] | 211 | |
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[a00ee4c] | 212 | # Empty ExploreDialog.Event content |
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| 213 | content_event = self.Event() |
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[8b21fa7] | 214 | |
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[a00ee4c] | 215 | # Read each text control and make sure the type is valid |
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| 216 | # Let the user know if a type is invalid by changing the |
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| 217 | # background color of the control. |
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| 218 | try: |
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| 219 | content_event.npts = int(self.npts_ctl.GetValue()) |
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| 220 | self.npts_ctl.SetBackgroundColour(wx.WHITE) |
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| 221 | self.npts_ctl.Refresh() |
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| 222 | except: |
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| 223 | flag = False |
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| 224 | self.npts_ctl.SetBackgroundColour("pink") |
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| 225 | self.npts_ctl.Refresh() |
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[8b21fa7] | 226 | |
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[a00ee4c] | 227 | try: |
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| 228 | content_event.dmin = float(self.dmin_ctl.GetValue()) |
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| 229 | self.dmin_ctl.SetBackgroundColour(wx.WHITE) |
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| 230 | self.dmin_ctl.Refresh() |
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| 231 | except: |
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| 232 | flag = False |
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| 233 | self.dmin_ctl.SetBackgroundColour("pink") |
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| 234 | self.dmin_ctl.Refresh() |
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[8b21fa7] | 235 | |
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[a00ee4c] | 236 | try: |
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| 237 | content_event.dmax = float(self.dmax_ctl.GetValue()) |
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| 238 | self.dmax_ctl.SetBackgroundColour(wx.WHITE) |
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| 239 | self.dmax_ctl.Refresh() |
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| 240 | except: |
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| 241 | flag = False |
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| 242 | self.dmax_ctl.SetBackgroundColour("pink") |
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| 243 | self.dmax_ctl.Refresh() |
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[8b21fa7] | 244 | |
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[a00ee4c] | 245 | # If the content of the form is valid, return the content, |
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| 246 | # otherwise return None |
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| 247 | if flag: |
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[164c7d0] | 248 | if event is not None: |
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| 249 | event.Skip(True) |
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[a00ee4c] | 250 | return content_event |
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| 251 | else: |
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| 252 | return None |
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[8b21fa7] | 253 | |
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[a00ee4c] | 254 | def _plot_output(self, event=None): |
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| 255 | """ |
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[8b21fa7] | 256 | Invoked when a new output type is selected for plotting, |
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[7116b6e0] | 257 | or when a new computation is finished. |
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[a00ee4c] | 258 | """ |
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[0efb04d] | 259 | self.npts_ctl.SetFocus() |
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[a00ee4c] | 260 | # Get the output type selection |
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| 261 | output_type = self.output_box.GetString(self.output_box.GetSelection()) |
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[8b21fa7] | 262 | |
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[a00ee4c] | 263 | # If the selected output type is part of the results ojbect, |
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[8b21fa7] | 264 | # display the results. |
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[a00ee4c] | 265 | # Note: by design, the output type should always be part of the |
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| 266 | # results object. |
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[8b21fa7] | 267 | if self.results.outputs.has_key(output_type): |
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[a00ee4c] | 268 | self.plotpanel.plot.x = self.results.d_max |
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| 269 | self.plotpanel.plot.y = self.results.outputs[output_type][2] |
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| 270 | self.plotpanel.plot.name = '_nolegend_' |
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[3e41f43] | 271 | y_label = "\\rm{%s}" % self.results.outputs[output_type][0] |
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| 272 | self.plotpanel.graph.yaxis(y_label, |
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| 273 | self.results.outputs[output_type][1]) |
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[8b21fa7] | 274 | |
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[a00ee4c] | 275 | # Redraw |
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| 276 | self.plotpanel.graph.render(self.plotpanel) |
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| 277 | self.plotpanel.subplot.figure.canvas.draw_idle() |
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| 278 | else: |
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[8b21fa7] | 279 | msg = "ExploreDialog: the Results object's dictionary " |
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[3e41f43] | 280 | msg += "does not contain " |
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| 281 | msg += "the [%s] output type. This must be indicative of " |
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| 282 | msg += "a change in the " % str(output_type) |
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[a00ee4c] | 283 | msg += "ExploreDialog code." |
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| 284 | logging.error(msg) |
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[8b21fa7] | 285 | |
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[a00ee4c] | 286 | def __do_layout(self): |
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| 287 | """ |
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[7116b6e0] | 288 | Do the layout of the dialog |
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[a00ee4c] | 289 | """ |
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| 290 | # Dialog box properties |
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| 291 | self.SetTitle("D_max Explorer") |
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| 292 | self.SetSize((600, 595)) |
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[8b21fa7] | 293 | |
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[a00ee4c] | 294 | sizer_main = wx.BoxSizer(wx.VERTICAL) |
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| 295 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
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[3e41f43] | 296 | sizer_params = wx.GridBagSizer(5, 5) |
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[a00ee4c] | 297 | |
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| 298 | iy = 0 |
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| 299 | ix = 0 |
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[8b21fa7] | 300 | label_npts = wx.StaticText(self, -1, "Npts") |
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| 301 | sizer_params.Add(label_npts, (iy, ix), (1, 1), |
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| 302 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
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[a00ee4c] | 303 | ix += 1 |
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[8b21fa7] | 304 | sizer_params.Add(self.npts_ctl, (iy, ix), (1, 1), |
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| 305 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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[a00ee4c] | 306 | self.npts_ctl.SetValue("%g" % DEFAULT_NPTS) |
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[164c7d0] | 307 | self.npts_ctl.Bind(wx.EVT_KILL_FOCUS, self._recalc) |
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[8b21fa7] | 308 | |
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[a00ee4c] | 309 | ix += 1 |
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[8b21fa7] | 310 | label_dmin = wx.StaticText(self, -1, "Min Distance [A]") |
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[3e41f43] | 311 | sizer_params.Add(label_dmin, (iy, ix), (1, 1), |
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[8b21fa7] | 312 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
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[a00ee4c] | 313 | ix += 1 |
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[3e41f43] | 314 | sizer_params.Add(self.dmin_ctl, (iy, ix), (1, 1), |
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[8b21fa7] | 315 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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[a00ee4c] | 316 | self.dmin_ctl.SetValue(str(self._default_min)) |
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[164c7d0] | 317 | self.dmin_ctl.Bind(wx.EVT_KILL_FOCUS, self._recalc) |
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[8b21fa7] | 318 | |
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[a00ee4c] | 319 | ix += 1 |
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| 320 | label_dmax = wx.StaticText(self, -1, "Max Distance [A]") |
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[3e41f43] | 321 | sizer_params.Add(label_dmax, (iy, ix), (1, 1), |
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[8b21fa7] | 322 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
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[a00ee4c] | 323 | ix += 1 |
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[8b21fa7] | 324 | sizer_params.Add(self.dmax_ctl, (iy, ix), (1, 1), |
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| 325 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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[a00ee4c] | 326 | self.dmax_ctl.SetValue(str(self._default_max)) |
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[164c7d0] | 327 | self.dmax_ctl.Bind(wx.EVT_KILL_FOCUS, self._recalc) |
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[a00ee4c] | 328 | |
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| 329 | |
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| 330 | # Ouput selection box |
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| 331 | selection_msg = wx.StaticText(self, -1, "Select a dependent variable:") |
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[df9492d] | 332 | self.output_box = wx.ComboBox(self, -1, style=wx.CB_READONLY) |
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[a00ee4c] | 333 | for item in self.results.outputs.keys(): |
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| 334 | self.output_box.Append(item, "") |
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| 335 | self.output_box.SetStringSelection(DEFAULT_OUTPUT) |
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[8b21fa7] | 336 | |
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[3e41f43] | 337 | output_sizer = wx.GridBagSizer(5, 5) |
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| 338 | output_sizer.Add(selection_msg, (0, 0), (1, 1), |
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[8b21fa7] | 339 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10) |
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[3e41f43] | 340 | output_sizer.Add(self.output_box, (0, 1), (1, 2), |
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[8b21fa7] | 341 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10) |
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| 342 | |
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[b3fd1c7] | 343 | wx.EVT_COMBOBOX(self.output_box, -1, self._plot_output) |
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[a00ee4c] | 344 | sizer_main.Add(output_sizer, 0, wx.EXPAND | wx.ALL, 10) |
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[8b21fa7] | 345 | |
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[a00ee4c] | 346 | sizer_main.Add(self.plotpanel, 0, wx.EXPAND | wx.ALL, 10) |
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[3e41f43] | 347 | sizer_main.SetItemMinSize(self.plotpanel, 400, 400) |
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[8b21fa7] | 348 | |
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| 349 | sizer_main.Add(sizer_params, 0, wx.EXPAND | wx.ALL, 10) |
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[a00ee4c] | 350 | static_line_3 = wx.StaticLine(self, -1) |
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| 351 | sizer_main.Add(static_line_3, 0, wx.EXPAND, 0) |
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[8b21fa7] | 352 | |
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[a00ee4c] | 353 | # Bottom area with the close button |
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[8b21fa7] | 354 | sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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[a00ee4c] | 355 | button_OK = wx.Button(self, wx.ID_OK, "Close") |
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[8b21fa7] | 356 | sizer_button.Add(button_OK, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10) |
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| 357 | |
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| 358 | sizer_main.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10) |
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[a00ee4c] | 359 | self.SetAutoLayout(True) |
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| 360 | self.SetSizer(sizer_main) |
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| 361 | self.Layout() |
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| 362 | self.Centre() |
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[8b21fa7] | 363 | |
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[a00ee4c] | 364 | # Bind the Enter key to recalculation |
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| 365 | self.Bind(wx.EVT_TEXT_ENTER, self._recalc) |
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| 366 | |
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[e16e5c3] | 367 | def set_plot_unfocus(self): |
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| 368 | """ |
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| 369 | Not implemented |
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| 370 | """ |
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| 371 | pass |
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[8b21fa7] | 372 | |
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[a00ee4c] | 373 | def _recalc(self, event=None): |
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| 374 | """ |
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[7116b6e0] | 375 | Invoked when the user changed a value on the form. |
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| 376 | Process the form and compute the output to be plottted. |
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[a00ee4c] | 377 | """ |
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| 378 | # Get the content of the form |
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| 379 | content = self._get_values() |
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| 380 | # If the content of the form is invalid, return and do nothing |
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| 381 | if content is None: |
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| 382 | return |
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[8b21fa7] | 383 | |
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[a00ee4c] | 384 | # Results object to store the computation outputs. |
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| 385 | results = Results() |
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[8b21fa7] | 386 | |
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[a00ee4c] | 387 | # Loop over d_max values |
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[8b21fa7] | 388 | for i in range(content.npts): |
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| 389 | temp = (content.dmax - content.dmin) / (content.npts - 1.0) |
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[3e41f43] | 390 | d = content.dmin + i * temp |
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[8b21fa7] | 391 | |
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[a00ee4c] | 392 | self.pr_state.d_max = d |
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| 393 | try: |
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[8b21fa7] | 394 | out, cov = self.pr_state.invert(self.nfunc) |
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| 395 | |
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[3b865c1] | 396 | # Store results |
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[a00ee4c] | 397 | iq0 = self.pr_state.iq0(out) |
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| 398 | rg = self.pr_state.rg(out) |
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| 399 | pos = self.pr_state.get_positive(out) |
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| 400 | pos_err = self.pr_state.get_pos_err(out, cov) |
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| 401 | osc = self.pr_state.oscillations(out) |
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[8b21fa7] | 402 | |
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[a00ee4c] | 403 | results.d_max.append(self.pr_state.d_max) |
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| 404 | results.bck.append(self.pr_state.background) |
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| 405 | results.chi2.append(self.pr_state.chi2) |
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| 406 | results.iq0.append(iq0) |
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| 407 | results.rg.append(rg) |
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| 408 | results.pos.append(pos) |
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| 409 | results.pos_err.append(pos_err) |
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[8b21fa7] | 410 | results.osc.append(osc) |
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[a00ee4c] | 411 | except: |
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| 412 | # This inversion failed, skip this D_max value |
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[3e41f43] | 413 | msg = "ExploreDialog: inversion failed " |
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| 414 | msg += "for D_max=%s\n%s" % (str(d), sys.exc_value) |
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| 415 | logging.error(msg) |
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[8b21fa7] | 416 | |
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| 417 | self.results = results |
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| 418 | |
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[a00ee4c] | 419 | # Plot the selected output |
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[8b21fa7] | 420 | self._plot_output() |
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