1 | """ |
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2 | This module provide GUI for the mass density calculator |
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3 | |
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4 | """ |
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5 | import wx |
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6 | import sys |
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7 | from sas.guiframe.panel_base import PanelBase |
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8 | from wx.lib.scrolledpanel import ScrolledPanel |
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9 | from sas.guiframe.utils import check_float |
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10 | from sas.guiframe.events import StatusEvent |
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11 | from periodictable import formula as Formula |
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12 | from sas.perspectives.calculator import calculator_widgets as widget |
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13 | from sas.guiframe.documentation_window import DocumentationWindow |
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14 | |
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15 | AVOGADRO = 6.02214129e23 |
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16 | _INPUTS = ['Mass Density', 'Molar Volume'] |
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17 | _UNITS = ['g/cm^(3) ', 'cm^(3)/mol '] |
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18 | #Density panel size |
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19 | if sys.platform.count("win32") > 0: |
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20 | PANEL_TOP = 0 |
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21 | _STATICBOX_WIDTH = 410 |
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22 | _BOX_WIDTH = 200 |
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23 | PANEL_SIZE = 440 |
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24 | FONT_VARIANT = 0 |
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25 | else: |
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26 | PANEL_TOP = 60 |
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27 | _STATICBOX_WIDTH = 430 |
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28 | _BOX_WIDTH = 200 |
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29 | PANEL_SIZE = 460 |
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30 | FONT_VARIANT = 1 |
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31 | |
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32 | class DensityPanel(ScrolledPanel, PanelBase): |
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33 | """ |
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34 | Provides the mass density calculator GUI. |
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35 | """ |
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36 | ## Internal nickname for the window, used by the AUI manager |
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37 | window_name = "Mass Density Calculator" |
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38 | ## Name to appear on the window title bar |
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39 | window_caption = "Mass Density Calculator" |
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40 | ## Flag to tell the AUI manager to put this panel in the center pane |
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41 | CENTER_PANE = True |
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42 | |
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43 | def __init__(self, parent, base=None, *args, **kwds): |
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44 | """ |
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45 | """ |
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46 | ScrolledPanel.__init__(self, parent, *args, **kwds) |
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47 | PanelBase.__init__(self) |
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48 | self.SetupScrolling() |
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49 | #Font size |
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50 | self.SetWindowVariant(variant=FONT_VARIANT) |
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51 | # Object that receive status event |
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52 | self.base = base |
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53 | self.parent = parent |
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54 | # chemeical formula, string |
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55 | self.compound = '' |
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56 | # value of the density/volume, float |
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57 | self.input = None |
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58 | # text controls |
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59 | self.compound_ctl = None |
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60 | self.input_ctl = None |
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61 | self.molar_mass_ctl = None |
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62 | self.output_ctl = None |
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63 | self.ctr_color = self.GetBackgroundColour() |
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64 | # button |
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65 | self.button_calculate = None |
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66 | # list |
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67 | self._input_list = _INPUTS |
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68 | self._input = self._input_list[1] |
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69 | self._output = self._input_list[0] |
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70 | self._unit_list = _UNITS |
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71 | #Draw the panel |
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72 | self._do_layout() |
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73 | self.SetAutoLayout(True) |
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74 | self.Layout() |
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75 | |
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76 | def _do_layout(self): |
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77 | """ |
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78 | Draw window content |
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79 | """ |
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80 | # units |
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81 | unit_density = self._unit_list[0] |
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82 | unit_volume = self._unit_list[1] |
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83 | |
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84 | # sizers |
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85 | sizer_input = wx.GridBagSizer(5, 5) |
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86 | sizer_output = wx.GridBagSizer(5, 5) |
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87 | sizer_button = wx.BoxSizer(wx.HORIZONTAL) |
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88 | self.sizer1 = wx.BoxSizer(wx.HORIZONTAL) |
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89 | self.sizer2 = wx.BoxSizer(wx.HORIZONTAL) |
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90 | sizer3 = wx.BoxSizer(wx.HORIZONTAL) |
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91 | vbox = wx.BoxSizer(wx.VERTICAL) |
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92 | |
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93 | # inputs |
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94 | inputbox = wx.StaticBox(self, -1, "Inputs") |
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95 | boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL) |
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96 | boxsizer1.SetMinSize((_STATICBOX_WIDTH, -1)) |
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97 | compound_txt = wx.StaticText(self, -1, 'Molecular Formula ') |
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98 | self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1)) |
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99 | self.compound_eg1 = wx.StaticText(self, -1, ' e.g., H2O') |
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100 | self.compound_eg2 = wx.StaticText(self, -1, 'e.g., D2O') |
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101 | self.input_cb = wx.ComboBox(self, -1, style=wx.CB_READONLY) |
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102 | wx.EVT_COMBOBOX(self.input_cb, -1, self.on_select_input) |
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103 | hint_input_name_txt = 'Mass or volume.' |
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104 | self.input_cb.SetToolTipString(hint_input_name_txt) |
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105 | unit_density1 = " " + unit_density |
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106 | self.input_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1)) |
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107 | self.unit_input_density = wx.StaticText(self, -1, unit_density1) |
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108 | self.unit_input_volume = wx.StaticText(self, -1, unit_volume) |
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109 | iy = 0 |
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110 | ix = 0 |
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111 | sizer_input.Add(compound_txt, (iy, ix), (1, 1), |
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112 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
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113 | ix += 1 |
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114 | sizer_input.Add(self.compound_ctl, (iy, ix), (1, 1), |
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115 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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116 | ix += 1 |
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117 | sizer_input.Add(self.compound_eg1, (iy, ix), (1, 1), |
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118 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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119 | |
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120 | ix += 1 |
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121 | sizer_input.Add(self.compound_eg2, (iy, ix), (1, 1), |
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122 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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123 | self.compound_eg1.Show(False) |
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124 | iy += 1 |
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125 | ix = 0 |
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126 | sizer_input.Add(self.input_cb, (iy, ix), (1, 1), |
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127 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
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128 | ix += 1 |
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129 | sizer_input.Add(self.input_ctl, (iy, ix), (1, 1), |
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130 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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131 | ix += 1 |
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132 | sizer_input.Add(self.unit_input_density, (iy, ix), (1, 1), |
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133 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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134 | ix += 1 |
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135 | self.unit_input_density.Show(False) |
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136 | sizer_input.Add(self.unit_input_volume, (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 | self.sizer1.Add(boxsizer1, 0, wx.EXPAND | wx.ALL, 10) |
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140 | |
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141 | # outputs |
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142 | outputbox = wx.StaticBox(self, -1, "Outputs") |
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143 | boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL) |
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144 | boxsizer2.SetMinSize((_STATICBOX_WIDTH, -1)) |
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145 | |
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146 | molar_mass_txt = wx.StaticText(self, -1, 'Molar Mass ') |
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147 | self.molar_mass_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1)) |
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148 | self.molar_mass_ctl.SetEditable(False) |
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149 | self.molar_mass_ctl.SetBackgroundColour(self.ctr_color) |
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150 | self.molar_mass_unit1 = wx.StaticText(self, -1, ' g/mol') |
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151 | self.molar_mass_unit2 = wx.StaticText(self, -1, 'g/mol') |
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152 | |
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153 | self.output_cb = wx.ComboBox(self, -1, style=wx.CB_READONLY) |
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154 | wx.EVT_COMBOBOX(self.output_cb, -1, self.on_select_output) |
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155 | hint_output_name_txt = 'Mass or volume.' |
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156 | self.output_cb.SetToolTipString(hint_output_name_txt) |
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157 | list = [] |
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158 | for item in self._input_list: |
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159 | name = str(item) |
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160 | list.append(name) |
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161 | list.sort() |
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162 | for idx in range(len(list)): |
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163 | self.input_cb.Append(list[idx], idx) |
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164 | self.output_cb.Append(list[idx], idx) |
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165 | self.input_cb.SetStringSelection("Molar Volume") |
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166 | self.output_cb.SetStringSelection("Mass Density") |
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167 | unit_volume = " " + unit_volume |
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168 | self.output_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1)) |
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169 | self.output_ctl.SetEditable(False) |
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170 | self.output_ctl.SetBackgroundColour(self.ctr_color) |
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171 | self.unit_output_density = wx.StaticText(self, -1, unit_density) |
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172 | self.unit_output_volume = wx.StaticText(self, -1, unit_volume) |
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173 | iy = 0 |
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174 | ix = 0 |
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175 | sizer_output.Add(molar_mass_txt, (iy, ix), (1, 1), |
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176 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
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177 | ix += 1 |
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178 | sizer_output.Add(self.molar_mass_ctl, (iy, ix), (1, 1), |
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179 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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180 | ix += 1 |
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181 | sizer_output.Add(self.molar_mass_unit1, (iy, ix), (1, 1), |
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182 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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183 | ix += 1 |
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184 | sizer_output.Add(self.molar_mass_unit2, (iy, ix), (1, 1), |
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185 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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186 | self.molar_mass_unit1.Show(False) |
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187 | iy += 1 |
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188 | ix = 0 |
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189 | sizer_output.Add(self.output_cb, (iy, ix), (1, 1), |
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190 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
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191 | ix += 1 |
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192 | sizer_output.Add(self.output_ctl, (iy, ix), (1, 1), |
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193 | wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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194 | ix += 1 |
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195 | sizer_output.Add(self.unit_output_volume, |
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196 | (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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197 | ix += 1 |
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198 | sizer_output.Add(self.unit_output_density, |
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199 | (iy, ix), (1, 1), wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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200 | |
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201 | self.unit_output_volume.Show(False) |
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202 | boxsizer2.Add(sizer_output) |
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203 | self.sizer2.Add(boxsizer2, 0, wx.EXPAND | wx.ALL, 10) |
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204 | |
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205 | # buttons |
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206 | id = wx.NewId() |
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207 | self.button_calculate = wx.Button(self, id, "Calculate") |
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208 | self.button_calculate.SetToolTipString("Calculate.") |
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209 | self.Bind(wx.EVT_BUTTON, self.calculate, id=id) |
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210 | |
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211 | id = wx.NewId() |
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212 | self.button_help = wx.Button(self, id, "HELP") |
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213 | self.button_help.SetToolTipString("Help for density calculator.") |
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214 | self.Bind(wx.EVT_BUTTON, self.on_help, id=id) |
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215 | |
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216 | self.button_close = wx.Button(self, wx.ID_CANCEL, 'Close') |
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217 | self.button_close.Bind(wx.EVT_BUTTON, self.on_close) |
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218 | self.button_close.SetToolTipString("Close this window.") |
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219 | |
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220 | sizer_button.Add((100, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0) |
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221 | sizer_button.Add(self.button_calculate, 0, |
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222 | wx.RIGHT | wx.ADJUST_MINSIZE, 20) |
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223 | sizer_button.Add(self.button_help, 0, |
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224 | wx.RIGHT | wx.ADJUST_MINSIZE, 20) |
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225 | sizer_button.Add(self.button_close, 0, |
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226 | wx.RIGHT | wx.ADJUST_MINSIZE, 20) |
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227 | sizer3.Add(sizer_button) |
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228 | |
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229 | # layout |
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230 | vbox.Add(self.sizer1) |
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231 | vbox.Add(self.sizer2) |
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232 | vbox.Add(sizer3) |
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233 | vbox.Fit(self) |
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234 | self.SetSizer(vbox) |
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235 | |
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236 | def on_select_input(self, event): |
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237 | """ |
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238 | On selection of input combobox, |
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239 | update units and output combobox |
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240 | """ |
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241 | if event == None: |
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242 | return |
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243 | event.Skip() |
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244 | |
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245 | combo = event.GetEventObject() |
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246 | self._input = combo.GetValue() |
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247 | for name in self._input_list: |
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248 | if self._input != name: |
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249 | self._output = name |
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250 | break |
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251 | |
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252 | self.set_values() |
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253 | |
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254 | def on_select_output(self, event): |
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255 | """ |
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256 | On selection of output combobox, |
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257 | update units and input combobox |
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258 | """ |
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259 | if event == None: |
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260 | return |
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261 | event.Skip() |
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262 | |
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263 | combo = event.GetEventObject() |
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264 | self._output = combo.GetValue() |
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265 | for name in self._input_list: |
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266 | if self._output != name: |
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267 | self._input = name |
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268 | break |
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269 | |
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270 | self.set_values() |
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271 | |
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272 | def set_values(self): |
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273 | """ |
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274 | Sets units and combobox values |
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275 | """ |
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276 | input, output = self.get_input() |
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277 | if input is None: |
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278 | return |
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279 | # input |
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280 | self.input_cb.SetValue(str(input)) |
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281 | # output |
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282 | self.output_cb.SetValue(str(output)) |
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283 | # unit |
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284 | if self._input_list.index(input) == 0: |
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285 | self.molar_mass_unit1.Show(True) |
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286 | self.molar_mass_unit2.Show(False) |
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287 | self.compound_eg1.Show(True) |
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288 | self.compound_eg2.Show(False) |
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289 | self.unit_input_density.Show(True) |
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290 | self.unit_output_volume.Show(True) |
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291 | self.unit_input_volume.Show(False) |
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292 | self.unit_output_density.Show(False) |
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293 | else: |
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294 | self.molar_mass_unit1.Show(False) |
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295 | self.molar_mass_unit2.Show(True) |
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296 | self.compound_eg1.Show(False) |
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297 | self.compound_eg2.Show(True) |
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298 | self.unit_input_volume.Show(True) |
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299 | self.unit_output_density.Show(True) |
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300 | self.unit_input_density.Show(False) |
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301 | self.unit_output_volume.Show(False) |
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302 | # layout |
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303 | self.clear_outputs() |
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304 | self.sizer1.Layout() |
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305 | self.sizer2.Layout() |
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306 | |
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307 | def get_input(self): |
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308 | """ |
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309 | Return the current input and output combobox values |
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310 | """ |
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311 | return self._input, self._output |
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312 | |
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313 | def check_inputs(self): |
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314 | """ |
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315 | Check validity user inputs |
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316 | """ |
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317 | flag = True |
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318 | msg = "" |
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319 | if check_float(self.input_ctl): |
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320 | self.input = float(self.input_ctl.GetValue()) |
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321 | else: |
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322 | flag = False |
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323 | input_type = str(self.input_cb.GetValue()) |
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324 | msg += "Error for %s value :expect float" % input_type |
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325 | |
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326 | self.compound = self.compound_ctl.GetValue().lstrip().rstrip() |
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327 | if self.compound != "": |
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328 | try : |
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329 | Formula(self.compound) |
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330 | self.compound_ctl.SetBackgroundColour(wx.WHITE) |
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331 | self.compound_ctl.Refresh() |
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332 | except: |
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333 | self.compound_ctl.SetBackgroundColour("pink") |
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334 | self.compound_ctl.Refresh() |
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335 | flag = False |
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336 | msg += "Enter correct formula" |
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337 | else: |
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338 | self.compound_ctl.SetBackgroundColour("pink") |
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339 | self.compound_ctl.Refresh() |
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340 | flag = False |
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341 | msg += "Enter Formula" |
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342 | return flag, msg |
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343 | |
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344 | |
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345 | def calculate(self, event): |
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346 | """ |
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347 | Calculate the mass Density/molar Volume of the molecules |
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348 | """ |
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349 | self.clear_outputs() |
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350 | try: |
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351 | #Check validity user inputs |
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352 | flag, msg = self.check_inputs() |
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353 | if self.base is not None and msg.lstrip().rstrip() != "": |
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354 | msg = "Density/Volume Calculator: %s" % str(msg) |
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355 | wx.PostEvent(self.base, StatusEvent(status=msg)) |
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356 | if not flag: |
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357 | return |
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358 | #get ready to compute |
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359 | mol_formula = Formula(self.compound) |
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360 | molar_mass = float(mol_formula.molecular_mass) * AVOGADRO |
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361 | output = self._format_number(molar_mass / self.input) |
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362 | self.molar_mass_ctl.SetValue(str(self._format_number(molar_mass))) |
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363 | self.output_ctl.SetValue(str(output)) |
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364 | except: |
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365 | if self.base is not None: |
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366 | msg = "Density/Volume Calculator: %s" % (sys.exc_value) |
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367 | wx.PostEvent(self.base, StatusEvent(status=msg)) |
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368 | if event is not None: |
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369 | event.Skip() |
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370 | |
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371 | def on_help(self, event): |
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372 | """ |
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373 | Bring up the density/volume calculator Documentation whenever |
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374 | the HELP button is clicked. |
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375 | |
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376 | Calls DocumentationWindow with the path of the location within the |
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377 | documentation tree (after /doc/ ....". Note that when using old |
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378 | versions of Wx (before 2.9) and thus not the release version of |
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379 | installers, the help comes up at the top level of the file as |
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380 | webbrowser does not pass anything past the # to the browser when it is |
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381 | running "file:///...." |
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382 | |
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383 | :param evt: Triggers on clicking the help button |
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384 | """ |
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385 | |
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386 | _TreeLocation = "user/perspectives/calculator/density_calculator_help.html" |
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387 | _doc_viewer = DocumentationWindow(self, -1, \ |
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388 | _TreeLocation, "Density/Volume Calculator Help") |
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389 | |
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390 | def on_close(self, event): |
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391 | """ |
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392 | close the window containing this panel |
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393 | """ |
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394 | self.parent.Close() |
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395 | |
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396 | def clear_outputs(self): |
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397 | """ |
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398 | Clear the outputs textctrl |
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399 | """ |
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400 | self.molar_mass_ctl.SetValue("") |
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401 | self.output_ctl.SetValue("") |
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402 | |
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403 | def _format_number(self, value=None): |
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404 | """ |
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405 | Return a float in a standardized, human-readable formatted string |
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406 | """ |
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407 | try: |
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408 | value = float(value) |
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409 | except: |
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410 | output = '' |
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411 | return output |
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412 | |
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413 | output = "%-12.5f" % value |
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414 | return output.lstrip().rstrip() |
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415 | |
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416 | class DensityWindow(widget.CHILD_FRAME): |
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417 | """ |
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418 | """ |
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419 | def __init__(self, parent=None, title="Density/Volume Calculator", |
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420 | base=None, manager=None, |
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421 | size=(PANEL_SIZE * 1.05, PANEL_SIZE / 1.55), *args, **kwds): |
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422 | """ |
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423 | """ |
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424 | kwds['title'] = title |
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425 | kwds['size'] = size |
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426 | widget.CHILD_FRAME.__init__(self, parent, *args, **kwds) |
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427 | """ |
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428 | """ |
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429 | self.manager = manager |
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430 | self.panel = DensityPanel(self, base=base) |
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431 | self.Bind(wx.EVT_CLOSE, self.on_close) |
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432 | self.SetPosition((wx.LEFT, PANEL_TOP)) |
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433 | self.Show(True) |
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434 | |
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435 | def on_close(self, event): |
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436 | """ |
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437 | On close event |
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438 | """ |
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439 | if self.manager != None: |
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440 | self.manager.cal_md_frame = None |
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441 | self.Destroy() |
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442 | |
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443 | |
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444 | class ViewApp(wx.App): |
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445 | """ |
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446 | """ |
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447 | def OnInit(self): |
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448 | """ |
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449 | """ |
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450 | widget.CHILD_FRAME = wx.Frame |
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451 | frame = DensityWindow(None, title="Density/Volume Calculator") |
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452 | frame.Show(True) |
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453 | self.SetTopWindow(frame) |
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454 | return True |
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455 | |
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456 | |
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457 | if __name__ == "__main__": |
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458 | app = ViewApp(0) |
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459 | app.MainLoop() |
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