| 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.sasgui.guiframe.panel_base import PanelBase |
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| 8 | from wx.lib.scrolledpanel import ScrolledPanel |
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| 9 | from sas.sasgui.guiframe.utils import check_float |
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| 10 | from sas.sasgui.guiframe.events import StatusEvent |
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| 11 | from periodictable import formula as Formula |
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| 12 | from sas.sasgui.perspectives.calculator import calculator_widgets as widget |
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| 13 | from sas.sasgui.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/sasgui/perspectives/calculator/" |
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| 387 | _TreeLocation += "density_calculator_help.html" |
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| 388 | _doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "", |
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| 389 | "Density/Volume Calculator Help") |
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| 390 | |
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| 391 | def on_close(self, event): |
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| 392 | """ |
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| 393 | close the window containing this panel |
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| 394 | """ |
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| 395 | self.parent.Close() |
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| 396 | |
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| 397 | def clear_outputs(self): |
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| 398 | """ |
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| 399 | Clear the outputs textctrl |
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| 400 | """ |
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| 401 | self.molar_mass_ctl.SetValue("") |
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| 402 | self.output_ctl.SetValue("") |
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| 403 | |
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| 404 | def _format_number(self, value=None): |
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| 405 | """ |
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| 406 | Return a float in a standardized, human-readable formatted string |
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| 407 | """ |
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| 408 | try: |
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| 409 | value = float(value) |
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| 410 | except: |
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| 411 | output = '' |
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| 412 | return output |
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| 413 | |
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| 414 | output = "%-12.5f" % value |
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| 415 | return output.lstrip().rstrip() |
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| 416 | |
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| 417 | class DensityWindow(widget.CHILD_FRAME): |
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| 418 | """ |
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| 419 | """ |
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| 420 | def __init__(self, parent=None, title="Density/Volume Calculator", |
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| 421 | base=None, manager=None, |
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| 422 | size=(PANEL_SIZE * 1.05, PANEL_SIZE / 1.55), *args, **kwds): |
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| 423 | """ |
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| 424 | """ |
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| 425 | kwds['title'] = title |
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| 426 | kwds['size'] = size |
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| 427 | widget.CHILD_FRAME.__init__(self, parent, *args, **kwds) |
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| 428 | """ |
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| 429 | """ |
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| 430 | self.manager = manager |
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| 431 | self.panel = DensityPanel(self, base=base) |
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| 432 | self.Bind(wx.EVT_CLOSE, self.on_close) |
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| 433 | self.SetPosition((wx.LEFT, PANEL_TOP)) |
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| 434 | self.Show(True) |
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| 435 | |
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| 436 | def on_close(self, event): |
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| 437 | """ |
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| 438 | On close event |
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| 439 | """ |
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| 440 | if self.manager != None: |
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| 441 | self.manager.cal_md_frame = None |
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| 442 | self.Destroy() |
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| 443 | |
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| 444 | |
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| 445 | class ViewApp(wx.App): |
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| 446 | """ |
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| 447 | """ |
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| 448 | def OnInit(self): |
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| 449 | """ |
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| 450 | """ |
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| 451 | widget.CHILD_FRAME = wx.Frame |
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| 452 | frame = DensityWindow(None, title="Density/Volume Calculator") |
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| 453 | frame.Show(True) |
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| 454 | self.SetTopWindow(frame) |
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| 455 | return True |
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| 456 | |
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| 457 | |
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| 458 | if __name__ == "__main__": |
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| 459 | app = ViewApp(0) |
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| 460 | app.MainLoop() |
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