#! /usr/bin/env python2
# -*- coding: utf-8 -*-
# elements_gui.py
# Copyright (c) 2005-2018, Christoph Gohlke
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are met:
#
# * Redistributions of source code must retain the above copyright
# notice, this list of conditions and the following disclaimer.
# * Redistributions in binary form must reproduce the above copyright
# notice, this list of conditions and the following disclaimer in the
# documentation and/or other materials provided with the distribution.
# * Neither the name of the copyright holders nor the names of any
# contributors may be used to endorse or promote products derived
# from this software without specific prior written permission.
#
# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
# AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
# IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
# ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE
# LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
# CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
# SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
# INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
# CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
# ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.
"""Periodic Table of Elements - A user interface for elements.py.
:Author: `Christoph Gohlke <https://www.lfd.uci.edu/~gohlke/>`_
:Version: 2018.8.15
Requirements
------------
* `CPython 2.7 <https://www.python.org>`_
* `wxPython 3.0 <http://www.wxpython.org>`_
* `Elements.py 2018.8.15 <https://www.lfd.uci.edu/~gohlke/>`_
Revisions
---------
2018.8.15
Move module into molmass package.
2018.5.25
Style fixes.
"""
from __future__ import division, print_function
import os
import sys
import math
import io
import webbrowser
# import wxversion
# wxversion.ensureMinimal('3.0')
import wx
from wx.lib import fancytext, buttons, rcsizer
if __package__:
from .elements import ELEMENTS, SERIES
else:
from elements import ELEMENTS, SERIES
class MainApp(wx.App):
"""Main application."""
name = 'Periodic Table of Elements'
version = '2018.8.15'
website = 'https://www.lfd.uci.edu/~gohlke/'
copyright = ('Christoph Gohlke\n'
'Laboratory for Fluorescence Dynamics\n'
'University of California, Irvine')
icon = 'elements.png'
def OnInit(self):
wx.LogNull()
# wx.InitAllImageHandlers()
mainframe = MainFrame(None, -1)
self.SetTopWindow(mainframe)
if wx.Platform != '__WXMAC__':
mainframe.Centre()
mainframe.ApplyLayout(False)
mainframe.Show()
return 1
class MainFrame(wx.Frame):
"""Main application window."""
def __init__(self, *args, **kwds):
kwds['style'] = (wx.DEFAULT_DIALOG_STYLE | wx.MINIMIZE_BOX |
wx.TAB_TRAVERSAL)
wx.Frame.__init__(self, *args, **kwds)
self.selected = -1
self.SetTitle(MainApp.name)
if os.path.exists(MainApp.icon):
icon = wx.EmptyIcon()
icon.CopyFromBitmap(wx.Bitmap(MainApp.icon, wx.BITMAP_TYPE_ANY))
self.SetIcon(icon)
self.SetBackgroundColour(wx.SystemSettings_GetColour(
wx.SYS_COLOUR_3DFACE))
# create menu
self.menu = wx.MenuBar()
self.SetMenuBar(self.menu)
menu = wx.Menu()
menu.Append(wx.ID_EXIT, 'Exit', 'Exit the application', wx.ITEM_NORMAL)
self.menu.Append(menu, 'File')
menu = wx.Menu()
menu.Append(wx.ID_COPY,
'Copy\tCtrl+C', 'Copy selected element to the clipboard',
wx.ITEM_NORMAL)
self.menu.Append(menu, 'Edit')
menu = wx.Menu()
menu.Append(wx.ID_VIEW_DETAILS, 'Details', 'Show or hide details',
wx.ITEM_CHECK)
self.menu.Append(menu, 'View')
menu = wx.Menu()
menu.Append(wx.ID_ABOUT, 'About...',
'Display information about the program', wx.ITEM_NORMAL)
self.menu.Append(menu, 'Help')
# create panels and controls
self.notebook = wx.Notebook(self, -1, style=0)
self.description = DecriptionPanel(self.notebook, -1)
self.details = DetailsPanel(self.notebook, -1)
self.table = PeriodicPanel(self, -1)
self.disclose = DisclosureCtrl(self.table, -1, '')
self.table.AddCtrl(self.disclose)
self.notebook.AddPage(self.description, 'Description')
self.notebook.AddPage(self.details, 'Properties')
# event bindings
self.Bind(wx.EVT_MENU, self.OnExit, id=wx.ID_EXIT)
self.Bind(wx.EVT_MENU, self.OnCopy, id=wx.ID_COPY)
self.Bind(wx.EVT_MENU, self.OnDetails, id=wx.ID_VIEW_DETAILS)
self.Bind(wx.EVT_MENU, self.OnAbout, id=wx.ID_ABOUT)
self.Bind(EVT_ELE_CHANGED, self.OnSelect, self.table)
self.Bind(EVT_ELE_CHANGED, self.OnSelect, self.details)
self.Bind(wx.EVT_BUTTON, self.OnDetails, self.disclose)
# create sizers
self.sizer = wx.BoxSizer(wx.VERTICAL)
self.sizer.Add(self.table, 1,
wx.LEFT | wx.TOP | wx.RIGHT | wx.EXPAND |
wx.ALIGN_CENTER_HORIZONTAL | wx.ADJUST_MINSIZE,
BORDER-5)
self.sizer.Add((BORDER, BORDER))
self.sizer.Add(self.notebook, 0,
wx.LEFT | wx.RIGHT | wx.BOTTOM | wx.EXPAND |
wx.ALIGN_CENTER_HORIZONTAL | wx.ALIGN_CENTER_VERTICAL |
wx.ADJUST_MINSIZE,
BORDER)
self.notebook.SetSelection(1)
self.SetAutoLayout(True)
self.SetSizerAndFit(self.sizer, True)
self.sizer.SetSizeHints(self)
self.ApplyLayout(True)
self.SetSelection(0)
def ApplyLayout(self, show=False):
self.show_info = show
self.sizer.Show(2, show, True)
self.SetAutoLayout(True)
self.SetSizerAndFit(self.sizer, True)
self.sizer.SetSizeHints(self)
self.Layout()
self.menu.Check(wx.ID_VIEW_DETAILS, show)
self.disclose.SetToggle(self.show_info)
def OnDetails(self, evt):
self.ApplyLayout(not self.show_info)
def OnEraseBackground(self, event):
pass
def OnCopy(self, evt):
dobj = wx.TextDataObject()
dobj.SetText(repr(ELEMENTS[self.selected + 1]))
if wx.TheClipboard.Open():
wx.TheClipboard.SetData(dobj)
wx.TheClipboard.Close()
def OnAbout(self, evt):
info = wx.AboutDialogInfo()
info.Name = MainApp.name
info.Version = MainApp.version
info.Copyright = MainApp.copyright
info.WebSite = MainApp.website
wx.AboutBox(info)
def OnWebsite(self, evt):
webbrowser.open(MainApp.website)
def OnWikipedia(self, evt):
webbrowser.open('http://en.wikipedia.org/wiki/%s' % (
ELEMENTS[self.selected].name), 1)
def OnWebElements(self, evt):
webbrowser.open('http://www.webelements.com/%s/' % (
ELEMENTS[self.selected].name.lower()))
def OnSelect(self, evt):
self.SetSelection(evt.GetSelection())
def SetSelection(self, select):
"""Set active element."""
if self.selected != select:
self.selected = select
self.description.SetSelection(select)
self.table.SetSelection(select)
self.details.SetSelection(select)
def OnExit(self, evt):
self.Close()
if __name__ == "__main__":
sys.exit(0)
else:
return self.selected
class PeriodicPanel(wx.Panel):
"""Periodic table of elements panel."""
layout = """
. 1 . . . . . . . . . . . . . . . . 18 .
1 H 2 . . . . . . . . . . 13 14 15 16 17 He .
2 Li Be . . . . . . . . . . B C N O F Ne .
3 Na Mg 3 4 5 6 7 8 9 10 11 12 Al Si P S Cl Ar .
4 K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr .
5 Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe .
6 Cs Ba * Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn .
7 Fr Ra ** Rf Db Sg Bh Hs Mt . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . .
. . . * La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu .
. . . ** Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr .
"""
def __init__(self, *args, **kwds):
kwds['style'] = wx.TAB_TRAVERSAL
wx.Panel.__init__(self, *args, **kwds)
rows = len(self.layout.splitlines()) - 2
cols = len(self.layout.splitlines()[1].split())
self.sizer = wx.FlexGridSizer(rows, cols, 0, 0)
self.buttons = list(range(0, len(ELEMENTS)))
self.selected = -1
self.info = ElementPanel(self, -1, pos=(0, 0))
# create element buttons
buttonsize = math.ceil(float(self.info.GetSize()[0] + 4) / 9.0)
if buttonsize < 30:
buttonsize = 30
for row in self.layout.splitlines()[1:-1]:
for col in row.split():
if col == '.':
self.sizer.Add((SPACER, SPACER))
elif col[0] in '123456789*':
static = wx.StaticText(
self, -1, col, style=wx.ALIGN_CENTER | wx.ALIGN_BOTTOM)
self.sizer.Add(
static, 0,
(wx.ALL | wx.ALIGN_CENTER_HORIZONTAL |
wx.ALIGN_CENTER_VERTICAL | wx.FIXED_MINSIZE),
SPACER//2)
else:
ele = ELEMENTS[col]
button = ElementButton(self, ele.number+100, ele.symbol,
size=(buttonsize, buttonsize))
self.buttons[ele.number - 1] = button
button.SetBezelWidth(1)
button.SetToolTipString(ele.name)
col = COLORS[ele.series]
button.SetButtonColour(wx.Colour(col[0], col[1], col[2]))
self.sizer.Add(
button, 0,
(wx.LEFT | wx.BOTTOM | wx.FIXED_MINSIZE |
wx.ALIGN_CENTER_HORIZONTAL |
wx.ALIGN_CENTER_VERTICAL),
0)
self.Bind(wx.EVT_BUTTON, self.OnSelect, button)
self.SetAutoLayout(True)
self.SetSizer(self.sizer)
self.sizer.SetSizeHints(self)
self.sizer.Fit(self)
# position element info panel
cw = self.sizer.GetColWidths()
rh = self.sizer.GetRowHeights()
self.info.Move((sum(cw[:3])+cw[3]//2, (rh[0]-SPACER)//2-1))
# legend of chemical series
self.legendpos = (sum(cw[:13]), (rh[0]-SPACER)//2-1)
self.legendsize = (sum(cw[13:17]) + cw[17]//2, -1)
self.legend = wx.StaticText(
self, -1, ' Alkaline earth metals ', style=wx.ALIGN_CENTER,
pos=self.legendpos, size=self.legendsize)
self.legend.SetToolTipString('Chemical series')
# blinking element button
self.highlight = False
self.timer = wx.Timer(self)
self.timer.Start(750)
self.Bind(wx.EVT_TIMER, self.OnTimer)
def AddCtrl(self, ctrl, pos=200):
self.sizer.Remove(pos)
self.sizer.Insert(pos, ctrl, 0,
(wx.ALL | wx.ALIGN_CENTER_HORIZONTAL |
wx.ALIGN_BOTTOM | wx.FIXED_MINSIZE),
0)
self.Layout()
def OnTimer(self, evt):
button = self.buttons[self.selected]
button.SetToggle(button.up)
def OnSelect(self, evt):
self.GetParent().SetSelection(evt.GetId() - 101)
def SetSelection(self, select):
"""Set active element."""
if self.selected == select:
return
# reset old selection
self.buttons[self.selected].SetToggle(False)
# highlight new selection
self.selected = select
self.buttons[select].SetToggle(True)
ele = ELEMENTS[select + 1]
col = COLORS[ele.series]
self.legend.SetBackgroundColour(wx.Colour(col[0], col[1], col[2]))
self.legend.SetLabel(SERIES[ele.series])
self.legend.Move(self.legendpos)
self.legend.SetSize(self.legendsize)
self.info.SetSelection(select)
class ElementPanel(wx.Panel):
"""Element information panel."""
def __init__(self, *args, **kwds):
kwds['style'] = wx.NO_BORDER | wx.TAB_TRAVERSAL
wx.Panel.__init__(self, *args, **kwds)
self.selected = -1
# create controls
self.number = wx.StaticText(self, -1, '808',
style=wx.ALIGN_RIGHT)
self.position = wx.StaticText(self, -1, '6, 88, 9',
style=wx.ALIGN_LEFT)
self.symbol = wx.StaticText(self, -1, 'Mm',
style=wx.ALIGN_CENTER_HORIZONTAL)
self.name = wx.StaticText(self, -1, 'Praseodymium ',
style=wx.ALIGN_CENTER_HORIZONTAL)
self.mass = wx.StaticText(self, -1, '123.4567890 ',
style=wx.ALIGN_CENTER_HORIZONTAL)
self.massnumber = wx.StaticText(self, -1, '123 A ',
style=wx.ALIGN_RIGHT)
self.protons = wx.StaticText(self, -1, '123 P ',
style=wx.ALIGN_RIGHT)
self.neutrons = wx.StaticText(self, -1, '123 N ',
style=wx.ALIGN_RIGHT)
self.electrons = wx.StaticText(self, -1, '123 e ',
style=wx.ALIGN_RIGHT)
self.eleshell = wx.StaticText(self, -1, '2, 8, 18, 32, 32, 15, 2',
style=wx.ALIGN_LEFT)
self.eleconfig = StaticFancyText(self, -1,
'[Xe] 4f<sup>14</sup> 5d<sup>10</sup>'
' 6s<sup>2</sup> 6p<sup>6</sup> ',
style=wx.ALIGN_LEFT)
self.oxistates = wx.StaticText(self, -1, '1*, 2, 3, 4, 5, 6, -7 ')
self.atmrad = wx.StaticText(self, -1, '1.234 A ', style=wx.ALIGN_RIGHT)
self.ionpot = wx.StaticText(self, -1, '123.4567890 eV ')
self.eleneg = wx.StaticText(self, -1, '123.45678 ')
# set control properties
font = self.GetFont()
font.SetWeight(wx.FONTWEIGHT_BOLD)
self.number.SetFont(font)
self.name.SetFont(font)
font.SetPointSize(font.GetPointSize() * 1.9)
self.symbol.SetFont(font)
self.number.SetToolTipString('Atomic number')
self.position.SetToolTipString('Group, Period, Block')
self.symbol.SetToolTipString('Symbol')
self.name.SetToolTipString('Name')
self.mass.SetToolTipString('Relative atomic mass')
self.eleshell.SetToolTipString('Electrons per shell')
self.massnumber.SetToolTipString('Mass number (most abundant isotope)')
self.protons.SetToolTipString('Protons')
self.neutrons.SetToolTipString('Neutrons (most abundant isotope)')
self.electrons.SetToolTipString('Electrons')
self.eleconfig.SetToolTipString('Electron configuration')
self.oxistates.SetToolTipString('Oxidation states')
self.atmrad.SetToolTipString('Atomic radius')
self.ionpot.SetToolTipString('Ionization potentials')
self.eleneg.SetToolTipString('Electronegativity')
# layout
sizer = rcsizer.RowColSizer()
sizer.col_w = SPACER
sizer.row_h = SPACER
sizer.Add(self.number, row=0, col=0,
flag=wx.ALIGN_CENTER_HORIZONTAL | wx.FIXED_MINSIZE)
sizer.Add(self.position, row=0, col=1,
flag=wx.ALIGN_LEFT | wx.FIXED_MINSIZE)
sizer.Add(self.symbol, row=1, col=0, rowspan=2, colspan=2,
flag=(wx.ALIGN_CENTER_HORIZONTAL | wx.ALIGN_CENTER_VERTICAL |
wx.FIXED_MINSIZE))
sizer.Add(self.name, row=3, col=0, colspan=2,
flag=wx.ALIGN_CENTER_HORIZONTAL | wx.FIXED_MINSIZE)
sizer.Add(self.mass, row=4, col=0, colspan=2,
flag=wx.ALIGN_CENTER_HORIZONTAL | wx.FIXED_MINSIZE)
sizer.Add(self.massnumber, row=0, col=2,
flag=wx.ALIGN_RIGHT | wx.FIXED_MINSIZE)
sizer.Add(self.protons, row=1, col=2,
flag=wx.ALIGN_RIGHT | wx.FIXED_MINSIZE)
sizer.Add(self.neutrons, row=2, col=2,
flag=wx.ALIGN_RIGHT | wx.FIXED_MINSIZE)
sizer.Add(self.electrons, row=3, col=2,
flag=wx.ALIGN_RIGHT | wx.FIXED_MINSIZE)
sizer.Add(self.atmrad, row=4, col=2,
flag=wx.ALIGN_RIGHT | wx.FIXED_MINSIZE)
sizer.Add(self.eleconfig, row=0, col=4, flag=wx.ADJUST_MINSIZE)
sizer.Add(self.eleshell, row=1, col=4, flag=wx.ADJUST_MINSIZE)
sizer.Add(self.oxistates, row=2, col=4, flag=wx.ADJUST_MINSIZE)
sizer.Add(self.ionpot, row=3, col=4, flag=wx.ADJUST_MINSIZE)
sizer.Add(self.eleneg, row=4, col=4, flag=wx.ADJUST_MINSIZE)
self.SetAutoLayout(True)
self.SetSizer(sizer)
sizer.Fit(self)
sizer.SetSizeHints(self)
self.Layout()
def SetSelection(self, select):
"""Set active element."""
if self.selected == select:
return
self.Freeze()
self.selected = select
ele = ELEMENTS[select + 1]
self.number.SetLabel('%i' % ele.number)
self.position.SetLabel('%i, %i, %s' % (
ele.group, ele.period, ele.block))
self.mass.SetLabel('%.10g' % ele.mass)
self.eleshell.SetLabel(', '.join('%i' % i for i in ele.eleshells))
self.massnumber.SetLabel('%i A ' % ele.nominalmass)
self.protons.SetLabel('%i P ' % ele.protons)
self.neutrons.SetLabel('%i N ' % ele.neutrons)
self.electrons.SetLabel('%i e ' % ele.electrons)
self.oxistates.SetLabel(ele.oxistates)
self.atmrad.SetLabel(u'%.10g \xc5 ' % ele.atmrad if ele.atmrad else '')
self.eleneg.SetLabel('%.10g' % ele.eleneg if ele.eleneg else '')
self.ionpot.SetLabel(
'%.10g eV' % ele.ionenergy[0] if ele.ionenergy else '')
self.symbol.SetLabel(ele.symbol)
self.name.SetLabel(ele.name)
label = []
for orb in ele.eleconfig.split():
if not orb.startswith('[') and len(orb) > 2:
orb = orb[:2] + '<sup>' + orb[2:] + '</sup>'
label.append(orb)
label.append('<sup> </sup>') # fix ADJUST_MINSIZE
self.eleconfig.SetLabel(' '.join(label))
self.Thaw()
self.Layout()
class DetailsPanel(wx.Panel):
"""Element details panel."""
def __init__(self, *args, **kwds):
kwds['style'] = wx.NO_BORDER | wx.TAB_TRAVERSAL
wx.Panel.__init__(self, *args, **kwds)
self.selected = -1
# create controls
self.names = LabeledCtrl(
self, wx.ComboBox, 'Element Name',
choices=[p.name for p in ELEMENTS],
style=wx.CB_READONLY | wx.CB_SORT, size=(1, -1))
self.symbols = LabeledCtrl(
self, wx.ComboBox, 'Symbol', '',
choices=[p.symbol for p in ELEMENTS],
style=wx.CB_READONLY | wx.CB_SORT, size=(1, -1))
self.numbers = LabeledCtrl(
self, wx.ComboBox, 'Number',
choices=['%s' % p.number for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.mass = LabeledCtrl(
self, wx.ComboBox, 'Relative Atomic Mass',
choices=['%-.10g' % p.mass for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.atmrad = LabeledCtrl(
self, wx.ComboBox,
u'Atomic Radius (\xc5)',
choices=['%-.10g' % p.atmrad for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.covrad = LabeledCtrl(
self, wx.ComboBox,
u'Covalent Radius (\xc5)',
choices=['%-.10g' % p.covrad for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.vdwrad = LabeledCtrl(
self, wx.ComboBox,
u'V.d.Waals Radius (\xc5)',
choices=['%-.10g' % p.vdwrad for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.eleneg = LabeledCtrl(
self, wx.ComboBox, 'Electronegativity',
choices=['%-.10g' % p.eleneg for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.eleconfig = LabeledCtrl(
self, wx.ComboBox, 'e- Config',
choices=[p.eleconfig for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.eleshells = LabeledCtrl(
self, wx.ComboBox, 'Electrons per Shell',
choices=[', '.join('%i' % i for i in p.eleshells)
for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.oxistates = LabeledCtrl(
self, wx.ComboBox, 'Oxidation States',
choices=[p.oxistates for p in ELEMENTS],
style=wx.CB_READONLY, size=(1, -1))
self.ionpot = LabeledCtrl(
self, wx.Choice, 'Ionization Potentials (eV)',
choices=[], size=(1, -1))
self.isotopes = LabeledCtrl(
self, wx.Choice, 'Isotopes', choices=[], size=(1, -1))
# layout
sizer = wx.BoxSizer(wx.VERTICAL)
sizer_top = wx.BoxSizer(wx.HORIZONTAL)
sizer_left = wx.BoxSizer(wx.VERTICAL)
sizer_right = wx.BoxSizer(wx.VERTICAL)
sizer_num = wx.BoxSizer(wx.HORIZONTAL)
style = wx.RIGHT | wx.BOTTOM | wx.EXPAND | wx.ADJUST_MINSIZE
sizer_left.Add(self.names, 0, style, SPACER)
sizer_left.Add(self.mass, 0, style, SPACER)
sizer_left.Add(self.atmrad, 0, style, SPACER)
sizer_left.Add(self.covrad, 0, style, SPACER)
sizer_left.Add(self.vdwrad, 0, style, SPACER)
sizer_left.Add(self.eleneg, 0, style, SPACER)
sizer_top.Add(sizer_left, 1, wx.LEFT | wx.RIGHT, 0)
style = wx.BOTTOM | wx.EXPAND | wx.ADJUST_MINSIZE
sizer_num.Add(self.symbols, 1, style, 0)
sizer_num.Add((SPACER, 5), 0, 0, 0)
sizer_num.Add(self.numbers, 1, style, 0)
sizer_right.Add(sizer_num, 0, style, SPACER)
sizer_right.Add(self.eleconfig, 0, style, SPACER)
sizer_right.Add(self.eleshells, 0, style, SPACER)
sizer_right.Add(self.oxistates, 0, style, SPACER)
sizer_right.Add(self.ionpot, 0, style, SPACER)
sizer_right.Add(self.isotopes, 0, style, SPACER)
sizer_top.Add(sizer_right, 1, wx.TOP | wx.RIGHT, 0)
sizer.Add(sizer_top, 1,
wx.LEFT | wx.RIGHT | wx.TOP | wx.EXPAND | wx.ADJUST_MINSIZE,
SPACER)
self.SetAutoLayout(True)
self.SetSizerAndFit(sizer, True)
sizer.SetSizeHints(self)
self.Layout()
# bind events
self.Bind(wx.EVT_COMBOBOX, self.OnSelectName, self.names.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelectSymbol, self.symbols.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.numbers.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.mass.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.atmrad.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.covrad.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.vdwrad.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.eleshells.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.eleneg.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.eleconfig.ctrl)
self.Bind(wx.EVT_COMBOBOX, self.OnSelect, self.oxistates.ctrl)
def SetSelection(self, select):
"""Set active element."""
if self.selected == select:
return
self.selected = select
ele = ELEMENTS[select+1]
self.names.ctrl.SetStringSelection(ele.name)
self.symbols.ctrl.SetStringSelection(ele.symbol)
self.numbers.ctrl.SetSelection(select)
self.mass.ctrl.SetSelection(select)
self.eleconfig.ctrl.SetSelection(select)
self.atmrad.ctrl.SetSelection(select)
self.covrad.ctrl.SetSelection(select)
self.vdwrad.ctrl.SetSelection(select)
self.eleneg.ctrl.SetSelection(select)
self.eleshells.ctrl.SetSelection(select)
self.oxistates.ctrl.SetSelection(select)
self.isotopes.ctrl.Clear()
for index, massnum in enumerate(sorted(ele.isotopes)):
iso = ele.isotopes[massnum]
self.isotopes.ctrl.Append('%3i: %8.4f , %8.4f%%' % (
massnum, iso.mass, iso.abundance*100.0))
if massnum == ele.nominalmass:
self.isotopes.ctrl.SetSelection(index)
self.ionpot.ctrl.Clear()
for ion in ele.ionenergy:
self.ionpot.ctrl.Append('%8.4f' % ion)
self.ionpot.ctrl.SetSelection(0)
def OnSelect(self, evt):
self.SetSelection(evt.GetSelection())
event = SelectionEvent(pteEVT_ELE_CHANGED, self.GetId(), self.selected)
self.GetEventHandler().ProcessEvent(event)
evt.Skip()
def OnSelectName(self, evt):
self.SetSelection(ELEMENTS[evt.GetString()].number - 1)
event = SelectionEvent(pteEVT_ELE_CHANGED, self.GetId(), self.selected)
self.GetEventHandler().ProcessEvent(event)
evt.Skip()
def OnSelectSymbol(self, evt):
self.SetSelection(ELEMENTS[evt.GetString()].number - 1)
event = SelectionEvent(pteEVT_ELE_CHANGED, self.GetId(), self.selected)
self.GetEventHandler().ProcessEvent(event)
evt.Skip()
class DecriptionPanel(wx.Panel):
"""Element description panel."""
def __init__(self, *args, **kwds):
kwds['style'] = wx.NO_BORDER | wx.TAB_TRAVERSAL
wx.Panel.__init__(self, *args, **kwds)
self.selected = -1
self.description = wx.TextCtrl(self, -1, ' \n \n',
style=wx.TE_MULTILINE | wx.TE_READONLY)
font = self.description.GetFont()
font.SetPointSize((font.GetPointSize() + 1))
self.description.SetFont(font)
sizer = wx.BoxSizer(wx.VERTICAL)
sizer.Add(self.description, 1,
(wx.TOP | wx.LEFT | wx.RIGHT | wx.BOTTOM | wx.EXPAND |
wx.FIXED_MINSIZE),
SPACER)
self.SetAutoLayout(True)
self.SetSizerAndFit(sizer, True)
sizer.SetSizeHints(self)
self.Layout()
def SetSelection(self, select):
"""Set active element."""
if self.selected == select:
return
self.selected = select
ele = ELEMENTS[select + 1]
self.description.SetValue(ele.description)
class ElementButton(buttons.GenToggleButton):
"""Button representing chemical element."""
def __init__(self, *args, **kwds):
buttons.GenToggleButton.__init__(self, *args, **kwds)
self.color = wx.Colour(255, 255, 255)
self.Bind(wx.EVT_ERASE_BACKGROUND, self.OnEraseBackground)
def OnEraseBackground(self, event):
pass
def SetButtonColour(self, color):
self.color = color
def OnPaint(self, event):
width, height = self.GetClientSizeTuple()
dc = wx.BufferedPaintDC(self)
brush = wx.Brush(self.GetBackgroundColour(), wx.SOLID)
if wx.Platform == '__WXMAC__':
brush.MacSetTheme(1) # kThemeBrushDialogBackgroundActive
dc.SetBackground(brush)
dc.SetPen(wx.TRANSPARENT_PEN)
dc.SetBrush(wx.Brush(self.color if self.up else 'WHITE', wx.SOLID))
dc.Clear()
dc.DrawRectanglePointSize((1, 1), (width - 2, height - 2))
if self.up:
self.DrawBezel(dc, 0, 0, width - 1, height - 1)
self.DrawLabel(dc, width, height)
if (self.hasFocus and self.useFocusInd):
self.DrawFocusIndicator(dc, width, height)
def DrawLabel(self, dc, width, height):
font = self.GetFont()
font.SetWeight(wx.FONTWEIGHT_BOLD)
dc.SetFont(font)
if self.IsEnabled():
dc.SetTextForeground(self.GetForegroundColour())
else:
dc.SetTextForeground(wx.SystemSettings.GetColour(
wx.SYS_COLOUR_GRAYTEXT))
label = self.GetLabel()
txtwidth, txtheight = dc.GetTextExtent(label)
xpos = (width - txtwidth) // 2
ypos = (height*0.75 - txtheight) // 2 - 1
dc.DrawText(label, xpos, ypos)
font.SetWeight(wx.FONTWEIGHT_LIGHT)
font.SetPointSize((font.GetPointSize()*6) // 8)
dc.SetFont(font)
label = '%i' % (self.GetId() - 100)
txtwidth, txtheight = dc.GetTextExtent(label)
dc.DrawText(label, (width-txtwidth)//2, 4+ypos+(height-txtheight)//2)
class LabeledCtrl(wx.BoxSizer):
"""BoxSizer containing label, control, and unit."""
def __init__(self, parent, control, label, unit=None, space=' ',
*args, **kwds):
wx.BoxSizer.__init__(self, wx.HORIZONTAL)
self.label = wx.StaticText(parent, -1, label + space)
self.ctrl = control(parent, -1, *args, **kwds)
self.Add(self.label, 0, wx.ALIGN_CENTER_VERTICAL | wx.FIXED_MINSIZE)
self.Add(self.ctrl, 1,
(wx.LEFT | wx.EXPAND | wx.ALIGN_CENTER_VERTICAL |
wx.ALIGN_RIGHT | wx.ADJUST_MINSIZE),
0)
if unit:
self.unit = wx.StaticText(parent, -1, unit)
self.Add(self.unit, 0,
wx.RIGHT | wx.ALIGN_CENTER_VERTICAL | wx.FIXED_MINSIZE, 0)
else:
self.unit = None
class StaticFancyText(fancytext.StaticFancyText):
"""StaticFancyText with SetLabel function."""
def SetLabel(self, label):
bmp = fancytext.RenderToBitmap(
label, wx.Brush(self.GetBackgroundColour(), wx.SOLID))
self.SetBitmap(bmp)
class DisclosureCtrl(buttons.GenBitmapTextToggleButton):
"""Disclosure triangle button."""
bmp0 = (b'\x89PNG\r\n\x1a\n\x00\x00\x00\rIHDR\x00\x00\x00\r\x00\x00'
b'\x00\r\x08\x06\x00\x00\x00r\xeb\xe4|\x00\x00\x00\x04sBIT'
b'\x08\x08\x08\x08|\x08d\x88\x00\x00\x00\xd5IDAT(\x91\x9d'
b'\x921n\x83@\x10E\xdf.!\x96\x9c\x90P"\xd9\x86\x92\x82\x03p'
b'\x02h\xa9i9A\xe2\xb38)9\x02w\xc0\t\x94I\xa0H\xd2\xc7'
b'\x96(\x918\xc0\xa6Z\x17\x91\x05&_\x1a\xe9k4O\xfa3\x1a!'
b'\xa4\xc1\\Im>\xde\xdf\xd4l\xa8,K\x9e\x9fv\xeax\xf8\x99\x84'
b'\x85\x8e\xb7}|P\x00\xb6m\x13\x04\x01q\x1cc\xdd\xdd\x8bs\xd0'
b'\xd5\xdfF\xdf\xf7TUE\xdb\xb6\xbc\xbe\xecU\x18\x86\x98\xd7'
b'\x0b1\ni\r\xc3@Q\x14\xd4u\xcd\xf7\xd7\xa7r]\x97\xe5\xcd'
b'\xad\x18\x85\xb4\xba\xae#\xcfs|\xdf?\xf5\xe4\xc8<\x00\x8e'
b'\xe3\x90e\x19i\x9aN\xc7\xb3,\x8b(\x8a\xb8h\xa7Y\xd7'
b'\xf3<\x0f\xd34I\x92\x84\xd5zsv\xf8$!\r\x844h\x9aFi?Y\xff'
b'\xf9\xbd_\xd7\x8c7Z\xc0k\x8d8\x00\x00\x00\x00IEND\xaeB`\x82')
bmp1 = (b'\x89PNG\r\n\x1a\n\x00\x00\x00\rIHDR\x00\x00\x00\r\x00\x00'
b'\x00\r\x08\x06\x00\x00\x00r\xeb\xe4|\x00\x00\x00\x04sBIT'
b'\x08\x08\x08\x08|\x08d\x88\x00\x00\x00\xc1IDAT(\x91\x9d\xd2;'
b'\x8e\xc20\x10\x80\xe1\x7fB\x0c\x95\xc1\xa5%\xc0)S\xb8I\xd2'
b'\xb8Le\x97\xf6\x99s\x81\xdd\xbdBN\xb2\xdb!Y\t\xac`\xbay|'
b'\xa3)F\xa49\xf0n4o\x8bOQ\x0b\xf0\xf3\xfd\xf5\xbb,\x0b\xeb'
b'\xba>\x1d\xec\xba\x8ey\x9e\x19\xc6I\x1a\x80a\x9cD)\xf5r'
b'\xbbR\x8aa\x9c\xa4:\xaf\x94\x821f\x17\x18c(\xa5<\xf2\x07'
b'\xba\xde\xee\xe2\xbd\xdfE\xde{\xae\xb7\xbbl\x10@J\t\xadu\x05'
b'\xb4\xd6\xa4\x94\xaaZ\x85\xf4\xf9"1\xc6j \xc6\x88>_\xe4)\x02'
b'\x08!`\xad\x05\xc0ZK\x08as\xee\x06\xa9\xe3Ir\xce\xb4mK\xce'
b'\x19u<\xc9\xbf\x08\xc09G\xdf\xf78\xe7\xf6\xda\xc8\'\xbf\xf7'
b'\x07\x13\x12\x18B\x17\x9fx\xa0\x00\x00\x00\x00IEND\xaeB`\x82')
def __init__(self, parent, winid, label, *args, **kwds):
kwds['style'] = wx.BORDER_NONE | wx.BU_EXACTFIT
buttons.GenBitmapTextToggleButton.__init__(self, parent, winid, None,
label, *args, **kwds)
if isinstance(self.bmp0, type(b'')):
self.__class__.bmp0 = wx.BitmapFromImage(wx.ImageFromStream(
io.BytesIO(self.bmp0)))
self.__class__.bmp1 = wx.BitmapFromImage(wx.ImageFromStream(
io.BytesIO(self.bmp1)))
self.SetBitmapLabel(self.bmp0)
self.SetBitmapSelected(self.bmp1)
if not label:
self.SetSize(self.bmp0.GetSize())
else:
self.SetBestSize()
self.labelDelta = 0
self.useFocusInd = False
self.SetToolTipString('Show')
self.Bind(wx.EVT_ERASE_BACKGROUND, self.OnEraseBackground)
def OnEraseBackground(self, event):
pass
def Notify(self):
wx.lib.buttons.GenBitmapTextToggleButton.Notify(self)
self.SetToolTipString('Show' if self.up else 'Hide')
def DoGetBestSize(self):
width, height, usemin = self._GetLabelSize()
return width + 5, height + 4
def OnPaint(self, event):
width, height = self.GetClientSizeTuple()
dc = wx.BufferedPaintDC(self)
brush = None
bgcol = self.GetBackgroundColour()
brush = wx.Brush(bgcol, wx.SOLID)
defattr = self.GetDefaultAttributes()
if self.style & wx.BORDER_NONE and bgcol == defattr.colBg:
defattr = self.GetParent().GetDefaultAttributes()
if self.GetParent().GetBackgroundColour() == defattr.colBg:
if wx.Platform == '_WXMSW__':
if self.DoEraseBackground(dc):
brush = None
elif wx.Platform == '__WXMAC__':
brush.MacSetTheme(1)
else:
bgcol = self.GetParent().GetBackgroundColour()
brush = wx.Brush(bgcol, wx.SOLID)
if brush is not None:
dc.SetBackground(brush)
dc.Clear()
self.DrawLabel(dc, width, height)
def DrawLabel(self, dc, width, height, center=False):
bmp = self.bmpLabel
if bmp is not None:
if self.bmpDisabled and not self.IsEnabled():
bmp = self.bmpDisabled
if self.bmpFocus and self.hasFocus:
bmp = self.bmpFocus
if self.bmpSelected and not self.up:
bmp = self.bmpSelected
bmpwidth, bmpheight = bmp.GetWidth(), bmp.GetHeight()
hasmask = bmp.GetMask() is not None
else:
bmpwidth = bmpheight = 0
dc.SetFont(self.GetFont())
color = (self.GetForegroundColour() if self.IsEnabled() else
wx.SystemSettings.GetColour(wx.SYS_COLOUR_GRAYTEXT))
dc.SetTextForeground(color)
label = self.GetLabel()
txtwidth, txtheight = dc.GetTextExtent(label)
# center bitmap and text
xpos = (width - bmpwidth - txtwidth) // 2 if center else 0
if bmp is not None:
dc.DrawBitmap(bmp, xpos, (height - bmpheight) // 2, hasmask)
xpos += 5
dc.DrawText(label, xpos + bmpwidth, (height - txtheight) // 2)
class SelectionEvent(wx.PyCommandEvent):
"""Notification of changed element."""
def __init__(self, evtType, winid, sel):
wx.PyCommandEvent.__init__(self, evtType, winid)
self.selection = sel
def SetSelection(self, select):
self.selection = select
def GetSelection(self):
return self.selection
pteEVT_ELE_CHANGED = wx.NewEventType()
EVT_ELE_CHANGED = wx.PyEventBinder(pteEVT_ELE_CHANGED, 1)
SPACER = 12 if wx.Platform == '__WXMAC__' else 10
BORDER = 22 if wx.Platform == '__WXMAC__' else 10
COLORS = {
1: (0x99, 0xff, 0x99), # Nonmetals
2: (0xc0, 0xff, 0xff), # Noble gases
3: (0xff, 0x99, 0x99), # Alkali metals
4: (0xff, 0xde, 0xad), # Alkaline earth metals
5: (0xcc, 0xcc, 0x99), # Metalloids
6: (0xff, 0xff, 0x99), # Halogens
7: (0xcc, 0xcc, 0xcc), # Poor metals
8: (0xff, 0xc0, 0xc0), # Transition metals
9: (0xff, 0xbf, 0xff), # Lanthanides
10: (0xff, 0x99, 0xcc), # Actinides
}
def main():
"""Main function."""
MainApp(0).MainLoop()
if __name__ == '__main__':
main()