def __init__(self, paths=None):
wx.Frame.__init__(self, None, title='Boltzmannizer', size=(600, 400))
self.plot_functions = {
'Energy': self._plot_values_energy,
'Entropy': self._plot_values_entropy,
'Heat capacity': self._plot_values_heat_capacity,
}
# Colors assigned to input files.
#
# We want each input file to have a color that's permanently associated
# with it, but we want to use the nicer colors as much as possible.
self.color_reserver = Reserver(self.COLORS, self.OVERFLOW_COLOR)
# Keep track of child frames.
self.plot_frames_2D = {}
self.plot_frames_3D = {}
# Menu.
menuBar = wx.MenuBar()
## File.
menu = wx.Menu()
### Add data.
item = menu.Append(wx.ID_OPEN, '&Add data\tCtrl+O')
self.Bind(wx.EVT_MENU, self.OnMenuFileOpen, item)
menuBar.Append(menu, '&File')
## Edit.
menu = wx.Menu()
#### Select all.
item = menu.Append(wx.ID_ANY, 'Select &all\tCtrl+A')
self.Bind(wx.EVT_MENU, self.OnMenuEditSelectAll, item)
menu.AppendSeparator()
#### Remove.
item = menu.Append(wx.ID_ANY, 'Remove')
self.Bind(wx.EVT_MENU, self.OnMenuEditRemove, item)
menuBar.Append(menu, '&Edit')
## Plot.
menu = wx.Menu()
### Energy.
item = menu.Append(wx.ID_ANY, '&Energy\tCtrl+E')
self.Bind(wx.EVT_MENU, self.OnMenuPlotEnergy, item)
### Entropy.
item = menu.Append(wx.ID_ANY, 'E&ntropy\tCtrl+N')
self.Bind(wx.EVT_MENU, self.OnMenuPlotEntropy, item)
### Heat capacity.
item = menu.Append(wx.ID_ANY, '&Heat capacity\tCtrl+H')
self.Bind(wx.EVT_MENU, self.OnMenuPlotHeatCapacity, item)
menu.AppendSeparator()
### Populations.
item = menu.Append(wx.ID_ANY, '&Populations\tCtrl+P')
self.Bind(wx.EVT_MENU, self.OnMenuPlotPopulations, item)
menu.AppendSeparator()
### Close all.
item = menu.Append(wx.ID_ANY, '&Close all\tCtrl+Shift+W')
self.Bind(wx.EVT_MENU, self.OnMenuPlotCloseAll, item)
menuBar.Append(menu, '&Plot')
self.SetMenuBar(menuBar)
# Frame.
frame_box = wx.BoxSizer(wx.VERTICAL)
## Data panel.
def toggle_callback(key):
self._redraw_plots()
def remove_callback(bd):
# Clear the color for someone else to use.
self.color_reserver.free(bd.color)
columns = [
('Filename', None),
('Levels', 50),
('States', 50),
('k_B', 150),
]
self.dp = DataPanel(self, columns,
check_callback=toggle_callback,
uncheck_callback=toggle_callback,
remove_callback=remove_callback)
frame_box.Add(self.dp, 1, wx.EXPAND)
self.SetSizer(frame_box)
self.Bind(wx.EVT_CLOSE, self.OnClose)
# Load any files that were already requested.
if paths is not None:
self._load_multiple_data(paths)
class MainFrame(wx.Frame):
COLORS = ['blue', 'green', 'red', 'magenta', 'black', 'cyan', 'brown', 'orange', 'grey']
# Yellow is awful, but we've run out of colors at this point!
OVERFLOW_COLOR = 'yellow'
def __init__(self, paths=None):
wx.Frame.__init__(self, None, title='Boltzmannizer', size=(600, 400))
self.plot_functions = {
'Energy': self._plot_values_energy,
'Entropy': self._plot_values_entropy,
'Heat capacity': self._plot_values_heat_capacity,
}
# Colors assigned to input files.
#
# We want each input file to have a color that's permanently associated
# with it, but we want to use the nicer colors as much as possible.
self.color_reserver = Reserver(self.COLORS, self.OVERFLOW_COLOR)
# Keep track of child frames.
self.plot_frames_2D = {}
self.plot_frames_3D = {}
# Menu.
menuBar = wx.MenuBar()
## File.
menu = wx.Menu()
### Add data.
item = menu.Append(wx.ID_OPEN, '&Add data\tCtrl+O')
self.Bind(wx.EVT_MENU, self.OnMenuFileOpen, item)
menuBar.Append(menu, '&File')
## Edit.
menu = wx.Menu()
#### Select all.
item = menu.Append(wx.ID_ANY, 'Select &all\tCtrl+A')
self.Bind(wx.EVT_MENU, self.OnMenuEditSelectAll, item)
menu.AppendSeparator()
#### Remove.
item = menu.Append(wx.ID_ANY, 'Remove')
self.Bind(wx.EVT_MENU, self.OnMenuEditRemove, item)
menuBar.Append(menu, '&Edit')
## Plot.
menu = wx.Menu()
### Energy.
item = menu.Append(wx.ID_ANY, '&Energy\tCtrl+E')
self.Bind(wx.EVT_MENU, self.OnMenuPlotEnergy, item)
### Entropy.
item = menu.Append(wx.ID_ANY, 'E&ntropy\tCtrl+N')
self.Bind(wx.EVT_MENU, self.OnMenuPlotEntropy, item)
### Heat capacity.
item = menu.Append(wx.ID_ANY, '&Heat capacity\tCtrl+H')
self.Bind(wx.EVT_MENU, self.OnMenuPlotHeatCapacity, item)
menu.AppendSeparator()
### Populations.
item = menu.Append(wx.ID_ANY, '&Populations\tCtrl+P')
self.Bind(wx.EVT_MENU, self.OnMenuPlotPopulations, item)
menu.AppendSeparator()
### Close all.
item = menu.Append(wx.ID_ANY, '&Close all\tCtrl+Shift+W')
self.Bind(wx.EVT_MENU, self.OnMenuPlotCloseAll, item)
menuBar.Append(menu, '&Plot')
self.SetMenuBar(menuBar)
# Frame.
frame_box = wx.BoxSizer(wx.VERTICAL)
## Data panel.
def toggle_callback(key):
self._redraw_plots()
def remove_callback(bd):
# Clear the color for someone else to use.
self.color_reserver.free(bd.color)
columns = [
('Filename', None),
('Levels', 50),
('States', 50),
('k_B', 150),
]
self.dp = DataPanel(self, columns,
check_callback=toggle_callback,
uncheck_callback=toggle_callback,
remove_callback=remove_callback)
frame_box.Add(self.dp, 1, wx.EXPAND)
self.SetSizer(frame_box)
self.Bind(wx.EVT_CLOSE, self.OnClose)
# Load any files that were already requested.
if paths is not None:
self._load_multiple_data(paths)
def OnMenuFileOpen(self, evt):
wildcard = 'JSON (*.json)|*.json|All files|*'
dialog = wx.FileDialog(self, 'Add data', wildcard=wildcard, style=wx.FD_OPEN|wx.FD_FILE_MUST_EXIST|wx.MULTIPLE)
if dialog.ShowModal() != wx.ID_OK:
return
self._load_multiple_data(dialog.GetPaths())
def OnMenuEditSelectAll(self, evt):
self.dp.select_all()
def OnMenuEditRemove(self, evt):
self.dp.remove_selected()
def OnMenuPlotEnergy(self, evt):
self._plot_values_energy(partial(self._make_plot_2D, 'Energy', 0))
def OnMenuPlotEntropy(self, evt):
self._plot_values_entropy(partial(self._make_plot_2D, 'Entropy', 0))
def OnMenuPlotHeatCapacity(self, evt):
# Avoid division by zero by skipping over the zero temperature.
self._plot_values_heat_capacity(partial(self._make_plot_2D, 'Heat capacity', 1))
def OnMenuPlotPopulations(self, evt):
for i in self.dp.selected:
bd = self.dp.objects[i]
xlabel = r'$T$'
ylabel = r'$E$'
if bd.units is not None:
xlabel += ' / ' + bd.units['temperature']
if bd.units is not None:
ylabel += ' / ' + bd.units['energy']
plot_frame = PlotFrame3DPopulation('Populations: {0}'.format(bd.filename))
plot_frame.plot_data(bd, xlabel=xlabel, ylabel=ylabel, zlabel=r'$P$')
plot_frame.Show()
def remove_frame():
if self:
try:
del self.plot_frames_3D[id(plot_frame)]
except KeyError:
pass
plot_frame.close_callback = remove_frame
self.plot_frames_3D[id(plot_frame)] = plot_frame
def OnMenuPlotCloseAll(self, evt):
self._close_all_plot_frames()
def OnClose(self, evt):
self._close_all_plot_frames()
evt.Skip()
def _plot_values_energy(self, callback):
fs = []
bds = []
units_energy = []
units_temperature = []
for i in self.dp.checked:
bd = self.dp.objects[i]
if bd.units is not None:
units_energy.append(bd.units['energy'])
units_temperature.append(bd.units['temperature'])
else:
units_energy.append('')
units_temperature.append('')
fs.append(bd.energy)
bds.append(bd)
units_energy = self._combine_units(units_energy)
units_temperature = self._combine_units(units_temperature)
if units_temperature:
xlabel = r'$T$ / {0}'.format(units_temperature)
else:
xlabel = r'$T$'
if units_energy:
ylabel = r'$U$ / {0}'.format(units_energy)
else:
ylabel = r'$U$'
callback(fs, bds, xlabel=xlabel, ylabel=ylabel)
def _plot_values_entropy(self, callback):
fs = []
bds = []
units_energy = []
units_temperature = []
for i in self.dp.checked:
bd = self.dp.objects[i]
if bd.units is not None:
units_energy.append(bd.units['energy'])
units_temperature.append(bd.units['temperature'])
else:
units_energy.append('')
units_temperature.append('')
fs.append(bd.entropy)
bds.append(bd)
units_energy = self._combine_units(units_energy)
units_temperature = self._combine_units(units_temperature)
if units_temperature:
xlabel = r'$T$ / {0}'.format(units_temperature)
else:
xlabel = r'$T$'
if units_energy and units_temperature:
ylabel = r'$S$ / ({0} / {1})'.format(units_energy, units_temperature)
else:
ylabel = r'$S$'
callback(fs, bds, xlabel=xlabel, ylabel=ylabel)
def _plot_values_heat_capacity(self, callback):
fs = []
bds = []
units_energy = []
units_temperature = []
for i in self.dp.checked:
bd = self.dp.objects[i]
if bd.units is not None:
units_energy.append(bd.units['energy'])
units_temperature.append(bd.units['temperature'])
else:
units_energy.append('')
units_temperature.append('')
fs.append(bd.heat_capacity)
bds.append(bd)
units_energy = self._combine_units(units_energy)
units_temperature = self._combine_units(units_temperature)
if units_temperature:
xlabel = r'$T$ / {0}'.format(units_temperature)
else:
xlabel = r'$T$'
if units_energy and units_temperature:
ylabel = r'$C_V$ / ({0} / {1})'.format(units_energy, units_temperature)
else:
ylabel = r'$C_V$'
callback(fs, bds, xlabel=xlabel, ylabel=ylabel)
def _make_plot_2D(self, name, min_temp, *args, **kwargs):
"""
Make a plot window showing the given quantity.
"""
if name in self.plot_frames_2D:
return
def remove_frame():
if self:
try:
del self.plot_frames_2D[name]
except KeyError:
pass
plot_frame = PlotFrame2DByTemperature(name, close_callback=remove_frame, min_temp=min_temp)
plot_frame.plot_data(*args, **kwargs)
plot_frame.Show()
self.plot_frames_2D[name] = plot_frame
def _load_data(self, path):
"""
Add the data in the file at the given path.
"""
color = self.color_reserver.allocate()
try:
bd = BoltzmannDistributionGUI.from_file(color, path)
except Exception as exc:
dlg = wx.MessageDialog(None, '{0}: {1}'.format(path, exc), 'Error loading file', wx.OK|wx.ICON_EXCLAMATION)
dlg.ShowModal()
dlg.Destroy()
return
# Make k_B more presentable, with units if they exist.
k_B = [str(bd.k_B)]
if bd.units is not None:
k_B.append('{0}/{1}'.format(bd.units['energy'], bd.units['temperature']))
levels, states = bd.num_levels
index, key = self.dp.AddRow([bd.filename, levels, states, ' '.join(k_B)], bd)
def _load_multiple_data(self, paths):
for path in paths:
self._load_data(path)
def _redraw_plots(self):
for name, frame in self.plot_frames_2D.items():
self._redraw_plot(name, frame)
def _redraw_plot(self, name, frame):
self.plot_functions[name](frame.plot_data)
def _combine_units(self, units):
"""
Given a list of units, complain if they're not all the same.
If all the values given are the same, returns that value. If at least
one is different, returns '???'. If no values given, returns None.
We do this because it doesn't make sense to display some units on a
plot if the quantities displayed don't correspond to those units.
"""
cur = None
for u in units:
if cur is None:
cur = u
elif cur != u:
cur = '???'
return cur
def _close_all_plot_frames(self):
for frame in self.plot_frames_2D.values():
if frame:
frame.Close()
for frame in self.plot_frames_3D.values():
if frame:
frame.Close()