| 1 | """ |
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| 2 | This module provide GUI for the neutron scattering length density calculator |
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| 3 | |
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| 4 | """ |
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| 5 | |
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| 6 | import wx |
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| 7 | import math |
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| 8 | import sys |
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| 9 | |
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| 10 | from sas.guiframe.panel_base import PanelBase |
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| 11 | |
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| 12 | from sas.guiframe.utils import format_number |
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| 13 | from sas.guiframe.utils import check_float |
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| 14 | from sas.guiframe.events import StatusEvent |
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| 15 | |
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| 16 | # the calculator default value for wavelength is 6 |
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| 17 | #import periodictable |
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| 18 | from periodictable import formula |
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| 19 | from periodictable.xsf import xray_energy |
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| 20 | from periodictable.xsf import xray_sld_from_atoms |
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| 21 | from periodictable.nsf import neutron_scattering |
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| 22 | from sas.perspectives.calculator import calculator_widgets as widget |
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| 23 | from sas.guiframe.documentation_window import DocumentationWindow |
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| 24 | |
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| 25 | WAVELENGTH = 6.0 |
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| 26 | _BOX_WIDTH = 76 |
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| 27 | _STATICBOX_WIDTH = 350 |
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| 28 | _SCALE = 1e-6 |
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| 29 | |
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| 30 | #SLD panel size |
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| 31 | if sys.platform.count("win32") > 0: |
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| 32 | _STATICBOX_WIDTH = 350 |
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| 33 | PANEL_SIZE = 400 |
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| 34 | FONT_VARIANT = 0 |
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| 35 | else: |
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| 36 | _STATICBOX_WIDTH = 380 |
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| 37 | PANEL_SIZE = 410 |
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| 38 | FONT_VARIANT = 1 |
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| 39 | |
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| 40 | class SldPanel(wx.Panel, PanelBase): |
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| 41 | """ |
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| 42 | Provides the SLD calculator GUI. |
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| 43 | """ |
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| 44 | ## Internal nickname for the window, used by the AUI manager |
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| 45 | window_name = "SLD Calculator" |
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| 46 | ## Name to appear on the window title bar |
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| 47 | window_caption = "SLD Calculator" |
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| 48 | ## Flag to tell the AUI manager to put this panel in the center pane |
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| 49 | CENTER_PANE = True |
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| 50 | |
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| 51 | def __init__(self, parent, base=None, *args, **kwds): |
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| 52 | """ |
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| 53 | """ |
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| 54 | wx.Panel.__init__(self, parent, *args, **kwds) |
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| 55 | PanelBase.__init__(self) |
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| 56 | #Font size |
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| 57 | self.SetWindowVariant(variant=FONT_VARIANT) |
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| 58 | # Object that receive status event |
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| 59 | self.base = base |
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| 60 | self.wavelength = WAVELENGTH |
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| 61 | #layout attribute |
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| 62 | self.compound_ctl = None |
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| 63 | self.density_ctl = None |
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| 64 | self.compound = "" |
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| 65 | self.density = "" |
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| 66 | self.wavelength_ctl = None |
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| 67 | self.neutron_sld_real_ctl = None |
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| 68 | self.neutron_sld_im_ctl = None |
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| 69 | self.mo_ka_sld_real_ctl = None |
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| 70 | self.mo_ka_sld_im_ctl = None |
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| 71 | self.cu_ka_sld_real_ctl = None |
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| 72 | self.cu_ka_sld_im_ctl = None |
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| 73 | self.neutron_abs_ctl = None |
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| 74 | self.neutron_inc_ctl = None |
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| 75 | self.neutron_length_ctl = None |
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| 76 | self.button_calculate = None |
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| 77 | #Draw the panel |
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| 78 | self._do_layout() |
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| 79 | self.SetAutoLayout(True) |
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| 80 | self.Layout() |
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| 81 | |
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| 82 | def _do_layout(self): |
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| 83 | """ |
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| 84 | Draw window content |
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| 85 | """ |
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| 86 | unit_a = '[A]' |
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| 87 | unit_density = '[g/cm^(3)]' |
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| 88 | unit_sld = '[1/A^(2)]' |
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| 89 | unit_cm1 = '[1/cm]' |
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| 90 | unit_cm = '[cm]' |
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| 91 | sizer_input = wx.GridBagSizer(5, 5) |
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| 92 | sizer_output = wx.GridBagSizer(5, 5) |
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| 93 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
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| 94 | sizer1 = wx.BoxSizer(wx.HORIZONTAL) |
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| 95 | sizer2 = wx.BoxSizer(wx.HORIZONTAL) |
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| 96 | sizer3 = wx.BoxSizer(wx.HORIZONTAL) |
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| 97 | #---------inputs---------------- |
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| 98 | inputbox = wx.StaticBox(self, -1, "Input") |
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| 99 | boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL) |
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| 100 | boxsizer1.SetMinSize((_STATICBOX_WIDTH, -1)) |
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| 101 | |
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| 102 | compound_txt = wx.StaticText(self, -1, 'Compound ') |
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| 103 | self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH*2, -1)) |
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| 104 | density_txt = wx.StaticText(self, -1, 'Density ') |
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| 105 | self.density_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1)) |
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| 106 | unit_density_txt = wx.StaticText(self, -1, unit_density) |
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| 107 | wavelength_txt = wx.StaticText(self, -1, 'Wavelength ') |
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| 108 | self.wavelength_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1)) |
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| 109 | self.wavelength_ctl.SetValue(str(self.wavelength)) |
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| 110 | unit_a_txt = wx.StaticText(self, -1, unit_a) |
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| 111 | iy = 0 |
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| 112 | ix = 0 |
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| 113 | sizer_input.Add(compound_txt, (iy, ix), (1, 1), |
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| 114 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 115 | ix += 1 |
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| 116 | sizer_input.Add(self.compound_ctl, (iy, ix), (1, 1), |
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| 117 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 118 | iy += 1 |
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| 119 | ix = 0 |
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| 120 | sizer_input.Add(density_txt, (iy, ix), (1, 1), |
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| 121 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 122 | ix += 1 |
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| 123 | sizer_input.Add(self.density_ctl, (iy, ix), (1, 1), |
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| 124 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 125 | ix +=1 |
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| 126 | sizer_input.Add(unit_density_txt,(iy, ix), (1, 1), |
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| 127 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 128 | iy += 1 |
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| 129 | ix = 0 |
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| 130 | sizer_input.Add(wavelength_txt, (iy, ix), (1, 1), |
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| 131 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 132 | ix += 1 |
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| 133 | sizer_input.Add(self.wavelength_ctl, (iy, ix), (1, 1), |
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| 134 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 135 | ix += 1 |
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| 136 | sizer_input.Add(unit_a_txt, (iy, ix), (1, 1), |
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| 137 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 138 | boxsizer1.Add(sizer_input) |
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| 139 | sizer1.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10) |
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| 140 | #---------Outputs sizer-------- |
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| 141 | outputbox = wx.StaticBox(self, -1, "Output") |
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| 142 | boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL) |
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| 143 | boxsizer2.SetMinSize((_STATICBOX_WIDTH, -1)) |
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| 144 | |
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| 145 | i_complex = '- i' |
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| 146 | neutron_sld_txt = wx.StaticText(self, -1, 'Neutron SLD') |
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| 147 | self.neutron_sld_real_ctl = wx.TextCtrl(self, -1, |
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| 148 | size=(_BOX_WIDTH, -1)) |
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| 149 | self.neutron_sld_real_ctl.SetEditable(False) |
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| 150 | self.neutron_sld_real_ctl.SetToolTipString("Neutron SLD real.") |
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| 151 | self.neutron_sld_im_ctl = wx.TextCtrl(self, -1, |
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| 152 | size=(_BOX_WIDTH, -1)) |
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| 153 | self.neutron_sld_im_ctl.SetEditable(False) |
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| 154 | self.neutron_sld_im_ctl.SetToolTipString("Neutron SLD imaginary.") |
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| 155 | neutron_sld_units_txt = wx.StaticText(self, -1, unit_sld) |
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| 156 | |
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| 157 | cu_ka_sld_txt = wx.StaticText(self, -1, 'Cu Ka SLD') |
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| 158 | self.cu_ka_sld_real_ctl = wx.TextCtrl(self, -1, |
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| 159 | size=(_BOX_WIDTH, -1)) |
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| 160 | self.cu_ka_sld_real_ctl.SetEditable(False) |
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| 161 | self.cu_ka_sld_real_ctl.SetToolTipString("Cu Ka SLD real.") |
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| 162 | self.cu_ka_sld_im_ctl = wx.TextCtrl(self, -1, |
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| 163 | size=(_BOX_WIDTH, -1)) |
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| 164 | self.cu_ka_sld_im_ctl.SetEditable(False) |
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| 165 | self.cu_ka_sld_im_ctl.SetToolTipString("Cu Ka SLD imaginary.") |
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| 166 | cu_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld) |
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| 167 | |
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| 168 | mo_ka_sld_txt = wx.StaticText(self, -1, 'Mo Ka SLD') |
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| 169 | self.mo_ka_sld_real_ctl = wx.TextCtrl(self, -1, |
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| 170 | size=(_BOX_WIDTH, -1)) |
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| 171 | self.mo_ka_sld_real_ctl.SetEditable(False) |
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| 172 | self.mo_ka_sld_real_ctl.SetToolTipString("Mo Ka SLD real.") |
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| 173 | self.mo_ka_sld_im_ctl = wx.TextCtrl(self, -1, |
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| 174 | size=(_BOX_WIDTH, -1)) |
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| 175 | self.mo_ka_sld_im_ctl.SetEditable(False) |
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| 176 | self.mo_ka_sld_im_ctl.SetToolTipString("Mo Ka SLD imaginary.") |
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| 177 | mo_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld) |
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| 178 | |
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| 179 | neutron_inc_txt = wx.StaticText(self, -1, 'Neutron Inc. Xs') |
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| 180 | self.neutron_inc_ctl = wx.TextCtrl(self, -1, |
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| 181 | size=(_BOX_WIDTH, -1)) |
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| 182 | self.neutron_inc_ctl.SetEditable(False) |
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| 183 | self.neutron_inc_ctl.SetToolTipString("Neutron Inc. Xs") |
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| 184 | neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1) |
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| 185 | |
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| 186 | neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs') |
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| 187 | self.neutron_abs_ctl = wx.TextCtrl(self, -1, |
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| 188 | size=(_BOX_WIDTH, -1)) |
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| 189 | self.neutron_abs_ctl.SetEditable(False) |
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| 190 | self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs") |
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| 191 | neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1) |
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| 192 | |
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| 193 | neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length') |
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| 194 | self.neutron_length_ctl = wx.TextCtrl(self, -1, |
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| 195 | size=(_BOX_WIDTH, -1)) |
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| 196 | self.neutron_length_ctl.SetEditable(False) |
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| 197 | self.neutron_length_ctl.SetToolTipString("Neutron 1/e length") |
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| 198 | neutron_length_units_txt = wx.StaticText(self, -1, unit_cm) |
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| 199 | |
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| 200 | iy = 0 |
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| 201 | ix = 0 |
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| 202 | sizer_output.Add(neutron_sld_txt, (iy, ix), (1, 1), |
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| 203 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 204 | ix += 1 |
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| 205 | sizer_output.Add(self.neutron_sld_real_ctl, (iy, ix), (1, 1), |
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| 206 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 207 | ix += 1 |
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| 208 | sizer_output.Add(wx.StaticText(self, -1, i_complex), |
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| 209 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 210 | ix += 1 |
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| 211 | sizer_output.Add(self.neutron_sld_im_ctl, |
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| 212 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 213 | ix += 1 |
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| 214 | sizer_output.Add(neutron_sld_units_txt, |
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| 215 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 216 | iy += 1 |
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| 217 | ix = 0 |
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| 218 | sizer_output.Add(cu_ka_sld_txt, (iy, ix), (1, 1), |
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| 219 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 220 | ix += 1 |
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| 221 | sizer_output.Add(self.cu_ka_sld_real_ctl, (iy, ix), (1, 1), |
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| 222 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 223 | ix += 1 |
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| 224 | sizer_output.Add(wx.StaticText(self, -1, i_complex), |
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| 225 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 226 | ix += 1 |
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| 227 | sizer_output.Add(self.cu_ka_sld_im_ctl, |
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| 228 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 229 | ix += 1 |
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| 230 | sizer_output.Add(cu_ka_sld_units_txt, |
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| 231 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 232 | iy += 1 |
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| 233 | ix = 0 |
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| 234 | sizer_output.Add(mo_ka_sld_txt,(iy, ix), (1, 1), |
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| 235 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 236 | ix += 1 |
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| 237 | sizer_output.Add(self.mo_ka_sld_real_ctl,(iy, ix), (1, 1), |
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| 238 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 239 | ix += 1 |
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| 240 | sizer_output.Add(wx.StaticText(self, -1, i_complex), |
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| 241 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 242 | ix += 1 |
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| 243 | sizer_output.Add(self.mo_ka_sld_im_ctl, |
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| 244 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 245 | ix += 1 |
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| 246 | sizer_output.Add(mo_ka_sld_units_txt, |
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| 247 | (iy, ix), (1, 1), wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 248 | iy += 1 |
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| 249 | ix = 0 |
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| 250 | sizer_output.Add(neutron_inc_txt, (iy, ix), (1, 1), |
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| 251 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 252 | ix += 1 |
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| 253 | sizer_output.Add(self.neutron_inc_ctl, (iy, ix), (1, 1), |
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| 254 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 255 | ix += 2 |
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| 256 | sizer_output.Add(neutron_inc_units_txt,(iy, ix), (1, 1), |
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| 257 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 258 | iy += 1 |
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| 259 | ix = 0 |
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| 260 | sizer_output.Add(neutron_abs_txt, (iy, ix), (1, 1), |
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| 261 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 262 | ix += 1 |
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| 263 | sizer_output.Add(self.neutron_abs_ctl, (iy, ix), (1, 1), |
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| 264 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 265 | ix += 2 |
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| 266 | sizer_output.Add(neutron_abs_units_txt, (iy, ix), (1, 1), |
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| 267 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 268 | iy += 1 |
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| 269 | ix = 0 |
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| 270 | sizer_output.Add(neutron_length_txt, (iy, ix), (1, 1), |
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| 271 | wx.LEFT|wx.EXPAND|wx.ADJUST_MINSIZE, 15) |
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| 272 | ix += 1 |
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| 273 | sizer_output.Add(self.neutron_length_ctl, (iy, ix), (1, 1), |
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| 274 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 275 | ix += 2 |
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| 276 | sizer_output.Add(neutron_length_units_txt, (iy, ix), (1, 1), |
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| 277 | wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 278 | boxsizer2.Add(sizer_output) |
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| 279 | sizer2.Add(boxsizer2, 0, wx.EXPAND|wx.ALL, 10) |
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| 280 | #-----Button sizer------------ |
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| 281 | |
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| 282 | id = wx.NewId() |
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| 283 | self.button_calculate = wx.Button(self, id, "Calculate") |
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| 284 | self.button_calculate.SetToolTipString("Calculate SLD.") |
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| 285 | self.Bind(wx.EVT_BUTTON, self.calculateSld, id=id) |
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| 286 | |
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| 287 | self.button_help = wx.Button(self, id, "HELP") |
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| 288 | self.button_help.SetToolTipString("help on SLD calculator.") |
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| 289 | self.Bind(wx.EVT_BUTTON, self.on_help, id=id) |
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| 290 | |
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| 291 | sizer_button.Add((150, 20), 1, wx.EXPAND|wx.ADJUST_MINSIZE, 0) |
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| 292 | sizer_button.Add(self.button_calculate, 0, wx.RIGHT|wx.ADJUST_MINSIZE, 20) |
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| 293 | sizer_button.Add(self.button_help, 0, wx.RIGHT|wx.ADJUST_MINSIZE, 20) |
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| 294 | sizer3.Add(sizer_button) |
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| 295 | #---------layout---------------- |
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| 296 | vbox = wx.BoxSizer(wx.VERTICAL) |
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| 297 | vbox.Add(sizer1) |
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| 298 | vbox.Add(sizer2) |
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| 299 | vbox.Add(sizer3) |
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| 300 | vbox.Fit(self) |
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| 301 | self.SetSizer(vbox) |
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| 302 | |
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| 303 | def on_help(self, event): |
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| 304 | """ |
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| 305 | Bring up the SLD Documentation whenever |
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| 306 | the HELP button is clicked. |
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| 307 | |
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| 308 | Calls DocumentationWindow with the path of the location within the |
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| 309 | documentation tree (after /doc/ ....". Note that when using old |
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| 310 | versions of Wx (before 2.9) and thus not the release version of |
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| 311 | installers, the help comes up at the top level of the file as |
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| 312 | webbrowser does not pass anything past the # to the browser when it is |
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| 313 | running "file:///...." |
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| 314 | |
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| 315 | :param evt: Triggers on clicking the help button |
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| 316 | """ |
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| 317 | |
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| 318 | _TreeLocation = "user/perspectives/calculator/sld_calculator_help.html" |
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| 319 | _doc_viewer = DocumentationWindow(self, -1, \ |
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| 320 | _TreeLocation,"General Scattering Calculator Help") |
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| 321 | |
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| 322 | def calculate_xray_sld(self, element): |
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| 323 | """ |
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| 324 | Get an element and compute the corresponding SLD for a given formula |
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| 325 | |
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| 326 | :param element: elements a string of existing atom |
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| 327 | |
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| 328 | """ |
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| 329 | myformula = formula(str(element)) |
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| 330 | if len(myformula.atoms) != 1: |
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| 331 | return |
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| 332 | element = myformula.atoms.keys()[0] |
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| 333 | energy = xray_energy(element.K_alpha) |
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| 334 | |
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| 335 | self.sld_formula = formula(str(self.compound), density=self.density) |
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| 336 | atom = self.sld_formula.atoms |
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| 337 | return xray_sld_from_atoms(atom, density=self.density, energy= energy) |
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| 338 | |
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| 339 | def check_inputs(self): |
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| 340 | """Check validity user inputs""" |
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| 341 | flag = True |
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| 342 | msg = "" |
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| 343 | if check_float(self.density_ctl): |
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| 344 | self.density = float(self.density_ctl.GetValue()) |
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| 345 | else: |
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| 346 | flag = False |
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| 347 | msg += "Error for Density value :expect float" |
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| 348 | |
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| 349 | self.wavelength = self.wavelength_ctl.GetValue() |
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| 350 | if str(self.wavelength).lstrip().rstrip() == "": |
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| 351 | self.wavelength = WAVELENGTH |
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| 352 | self.wavelength_ctl.SetValue(str(WAVELENGTH)) |
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| 353 | self.wavelength_ctl.SetBackgroundColour(wx.WHITE) |
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| 354 | self.wavelength_ctl.Refresh() |
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| 355 | msg += "Default value for wavelength is 6.0" |
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| 356 | else: |
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| 357 | if check_float(self.wavelength_ctl): |
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| 358 | self.wavelength = float(self.wavelength) |
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| 359 | else: |
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| 360 | flag = False |
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| 361 | msg += "Error for wavelength value :expect float" |
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| 362 | |
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| 363 | self.compound = self.compound_ctl.GetValue().lstrip().rstrip() |
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| 364 | if self.compound != "": |
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| 365 | try : |
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| 366 | formula(self.compound) |
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| 367 | self.compound_ctl.SetBackgroundColour(wx.WHITE) |
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| 368 | self.compound_ctl.Refresh() |
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| 369 | except: |
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| 370 | self.compound_ctl.SetBackgroundColour("pink") |
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| 371 | self.compound_ctl.Refresh() |
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| 372 | flag = False |
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| 373 | msg += "Enter correct formula" |
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| 374 | else: |
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| 375 | self.compound_ctl.SetBackgroundColour("pink") |
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| 376 | self.compound_ctl.Refresh() |
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| 377 | flag = False |
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| 378 | msg += "Enter a formula" |
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| 379 | return flag, msg |
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| 380 | |
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| 381 | def calculate_sld_helper(self, element, density, molecule_formula): |
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| 382 | """ |
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| 383 | Get an element and compute the corresponding SLD for a given formula |
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| 384 | |
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| 385 | :param element: elements a string of existing atom |
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| 386 | |
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| 387 | """ |
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| 388 | element_formula = formula(str(element)) |
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| 389 | if len(element_formula.atoms) != 1: |
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| 390 | return |
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| 391 | element = element_formula.atoms.keys()[0] |
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| 392 | energy = xray_energy(element.K_alpha) |
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| 393 | atom = molecule_formula.atoms |
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| 394 | return xray_sld_from_atoms(atom, density=density, energy=energy) |
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| 395 | |
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| 396 | |
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| 397 | def calculateSld(self, event): |
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| 398 | """ |
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| 399 | Calculate the neutron scattering density length of a molecule |
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| 400 | """ |
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| 401 | self.clear_outputs() |
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| 402 | try: |
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| 403 | #Check validity user inputs |
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| 404 | flag, msg = self.check_inputs() |
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| 405 | if self.base is not None and msg.lstrip().rstrip() != "": |
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| 406 | msg = "SLD Calculator: %s" % str(msg) |
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| 407 | wx.PostEvent(self.base, StatusEvent(status=msg)) |
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| 408 | if not flag: |
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| 409 | return |
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| 410 | #get ready to compute |
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| 411 | self.sld_formula = formula(self.compound, |
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| 412 | density=self.density) |
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| 413 | (sld_real, sld_im, _), (_, absorp, incoh), \ |
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| 414 | length = neutron_scattering(compound=self.compound, |
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| 415 | density=self.density, |
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| 416 | wavelength=self.wavelength) |
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| 417 | cu_real, cu_im = self.calculate_sld_helper(element="Cu", |
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| 418 | density=self.density, |
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| 419 | molecule_formula=self.sld_formula) |
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| 420 | mo_real, mo_im = self.calculate_sld_helper(element="Mo", |
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| 421 | density=self.density, |
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| 422 | molecule_formula=self.sld_formula) |
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| 423 | # set neutron sld values |
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| 424 | val = format_number(sld_real * _SCALE) |
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| 425 | self.neutron_sld_real_ctl.SetValue(val) |
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| 426 | val = format_number(math.fabs(sld_im) * _SCALE) |
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| 427 | self.neutron_sld_im_ctl.SetValue(val) |
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| 428 | # Compute the Cu SLD |
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| 429 | self.cu_ka_sld_real_ctl.SetValue(format_number(cu_real *_SCALE)) |
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| 430 | val = format_number(math.fabs(cu_im )* _SCALE) |
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| 431 | self.cu_ka_sld_im_ctl.SetValue(val) |
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| 432 | # Compute the Mo SLD |
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| 433 | self.mo_ka_sld_real_ctl.SetValue(format_number(mo_real *_SCALE)) |
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| 434 | val = format_number(math.fabs(mo_im)* _SCALE) |
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| 435 | self.mo_ka_sld_im_ctl.SetValue(val) |
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| 436 | # set incoherence and absorption |
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| 437 | self.neutron_inc_ctl.SetValue(format_number(incoh)) |
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| 438 | self.neutron_abs_ctl.SetValue(format_number(absorp)) |
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| 439 | # Neutron length |
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| 440 | self.neutron_length_ctl.SetValue(format_number(length)) |
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| 441 | # display wavelength |
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| 442 | self.wavelength_ctl.SetValue(str(self.wavelength)) |
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| 443 | except: |
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| 444 | if self.base is not None: |
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| 445 | msg = "SLD Calculator: %s"%(sys.exc_value) |
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| 446 | wx.PostEvent(self.base, StatusEvent(status=msg)) |
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| 447 | if event is not None: |
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| 448 | event.Skip() |
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| 449 | |
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| 450 | def clear_outputs(self): |
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| 451 | """ |
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| 452 | Clear the outputs textctrl |
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| 453 | """ |
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| 454 | self.neutron_sld_real_ctl.SetValue("") |
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| 455 | self.neutron_sld_im_ctl.SetValue("") |
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| 456 | self.mo_ka_sld_real_ctl.SetValue("") |
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| 457 | self.mo_ka_sld_im_ctl.SetValue("") |
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| 458 | self.cu_ka_sld_real_ctl.SetValue("") |
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| 459 | self.cu_ka_sld_im_ctl.SetValue("") |
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| 460 | self.neutron_abs_ctl.SetValue("") |
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| 461 | self.neutron_inc_ctl.SetValue("") |
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| 462 | self.neutron_length_ctl.SetValue("") |
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| 463 | |
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| 464 | |
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| 465 | class SldWindow(widget.CHILD_FRAME): |
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| 466 | """ |
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| 467 | """ |
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| 468 | def __init__(self, parent=None, title="SLD Calculator", |
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| 469 | base=None, manager=None, |
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| 470 | size=(PANEL_SIZE, PANEL_SIZE), *args, **kwds): |
|---|
| 471 | """ |
|---|
| 472 | """ |
|---|
| 473 | kwds['title'] = title |
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| 474 | kwds['size'] = size |
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| 475 | widget.CHILD_FRAME.__init__(self, parent, *args, **kwds) |
|---|
| 476 | """ |
|---|
| 477 | """ |
|---|
| 478 | self.parent = parent |
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| 479 | self.base = base |
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| 480 | self.manager = manager |
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| 481 | self.panel = SldPanel(self, base=base) |
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| 482 | self.Bind(wx.EVT_CLOSE, self.on_close) |
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| 483 | self.SetPosition((20, 10)) |
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| 484 | self.Show(True) |
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| 485 | |
|---|
| 486 | def on_close(self, event): |
|---|
| 487 | """ |
|---|
| 488 | On close event |
|---|
| 489 | """ |
|---|
| 490 | if self.manager != None: |
|---|
| 491 | self.manager.sld_frame = None |
|---|
| 492 | self.Destroy() |
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| 493 | |
|---|
| 494 | |
|---|
| 495 | class ViewApp(wx.App): |
|---|
| 496 | """ |
|---|
| 497 | """ |
|---|
| 498 | def OnInit(self): |
|---|
| 499 | """ |
|---|
| 500 | """ |
|---|
| 501 | widget.CHILD_FRAME = wx.Frame |
|---|
| 502 | frame = SldWindow(None, title='SLD Calculator') |
|---|
| 503 | frame.Show(True) |
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| 504 | self.SetTopWindow(frame) |
|---|
| 505 | return True |
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| 506 | |
|---|
| 507 | |
|---|
| 508 | if __name__ == "__main__": |
|---|
| 509 | app = ViewApp(0) |
|---|
| 510 | app.MainLoop() |
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