def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title(_('DFT'))
vbox = gtk.VBox()
combo = gtk.combo_box_new_text()
self.xcfuncs = 'None LDA PBE revPBE RPBE PW91 EXX PBE0'.split()
for xc in self.xcfuncs:
combo.append_text(xc)
pack(vbox, [gtk.Label(_('XC-functional: ')), combo])
button=radio(None,monkhorstpack)
button=radio(button, special)
pack(vbox, gtk.Label(_('Repeat atoms:')))
self.kpts = [gtk.Adjustment(r, 1, 99, 1) for r in gui.atoms.repeat]
pack(vbox, [gtk.SpinButton(r, 0, 0) for r in self.repeat])
for r in self.repeat:
r.connect('value-changed', self.change)
close = pack(vbox, gtk.Button(_('Close')))
close.connect('clicked', lambda widget: self.destroy())
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
xc = gui.atoms.dft.get('xc', 'None')
combo.set_active(self.xcfuncs.index(xc))
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_position(gtk.WIN_POS_NONE)
self.connect('destroy', self.close)
#self.connect('delete_event', self.exit2)
self.set_title('Movie')
vbox = gtk.VBox()
pack(vbox, gtk.Label(_('Image number:')))
self.frame_number = gtk.Adjustment(gui.frame, 0,
gui.images.nimages - 1,
1.0, 5.0)
self.frame_number.connect('value-changed', self.new_frame)
hscale = pack(vbox, gtk.HScale(self.frame_number))
hscale.set_update_policy(gtk.UPDATE_CONTINUOUS)
hscale.set_digits(0)
buttons = [gtk.Button(stock=gtk.STOCK_GOTO_FIRST),
gtk.Button(stock=gtk.STOCK_GO_BACK),
gtk.Button(stock=gtk.STOCK_GO_FORWARD),
gtk.Button(stock=gtk.STOCK_GOTO_LAST)]
buttons[0].connect('clicked', self.click, -1, True)
buttons[1].connect('clicked', self.click, -1)
buttons[2].connect('clicked', self.click, 1)
buttons[3].connect('clicked', self.click, 1, True)
pack(vbox, buttons)
play = gtk.Button(_('Play'))
play.connect('clicked', self.play)
stop = gtk.Button('Stop')
stop.connect('clicked', self.stop)
self.rock = gtk.CheckButton('Rock')
pack(vbox, [play, stop, gtk.Label(' '), self.rock])
if gui.images.nimages > 150:
skipdefault = gui.images.nimages/150
tdefault = min(max(gui.images.nimages/(skipdefault*5.0), 1.0), 30)
else:
skipdefault = 0
tdefault = min(max(gui.images.nimages/5.0, 1.0), 30)
self.time = gtk.Adjustment(tdefault, 1.0, 99, 0.1)
self.time_spin = gtk.SpinButton(self.time, 0, 0)
self.time_spin.set_digits(1)
self.time.connect("value-changed",self.frame_rate_changed)
self.skip = gtk.Adjustment(skipdefault, 0, 99, 1)
self.skip_spin = gtk.SpinButton(self.skip, 0, 0)
pack(vbox, [gtk.Label(' Frame rate: '), self.time_spin,
gtk.Label(' Skip frames: '), self.skip_spin,
gtk.Label(' ')])
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
#gui.m=self
self.direction = 1
self.id = None
gui.register_vulnerable(self)
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title(_('DFT'))
vbox = gtk.VBox()
combo = gtk.combo_box_new_text()
self.xcfuncs = 'None LDA PBE revPBE RPBE PW91 EXX PBE0'.split()
for xc in self.xcfuncs:
combo.append_text(xc)
pack(vbox, [gtk.Label(_('XC-functional: ')), combo])
button = radio(None, monkhorstpack)
button = radio(button, special)
pack(vbox, gtk.Label(_('Repeat atoms:')))
self.kpts = [gtk.Adjustment(r, 1, 99, 1) for r in gui.atoms.repeat]
pack(vbox, [gtk.SpinButton(r, 0, 0) for r in self.repeat])
for r in self.repeat:
r.connect('value-changed', self.change)
close = pack(vbox, gtk.Button(_('Close')))
close.connect('clicked', lambda widget: self.destroy())
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
xc = gui.atoms.dft.get('xc', 'None')
combo.set_active(self.xcfuncs.index(xc))
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_position(gtk.WIN_POS_NONE)
self.connect('destroy', self.close)
#self.connect('delete_event', self.exit2)
self.set_title('Movie')
vbox = gtk.VBox()
pack(vbox, gtk.Label(_('Image number:')))
self.frame_number = gtk.Adjustment(gui.frame, 0,
gui.images.nimages - 1,
1.0, 5.0)
self.frame_number.connect('value-changed', self.new_frame)
hscale = pack(vbox, gtk.HScale(self.frame_number))
hscale.set_update_policy(gtk.UPDATE_DISCONTINUOUS)
hscale.set_digits(0)
buttons = [gtk.Button(stock=gtk.STOCK_GOTO_FIRST),
gtk.Button(stock=gtk.STOCK_GO_BACK),
gtk.Button(stock=gtk.STOCK_GO_FORWARD),
gtk.Button(stock=gtk.STOCK_GOTO_LAST)]
for button in buttons:
hboxb = button.child.child
label = hboxb.get_children()[1]
hboxb.remove(label)
buttons[0].connect('clicked', self.click, -10000000)
buttons[1].connect('clicked', self.click, -1)
buttons[2].connect('clicked', self.click, 1)
buttons[3].connect('clicked', self.click, 10000000)
pack(vbox, buttons)
play, stop = pack(vbox, [gtk.Button(_('Play')),
gtk.Button('Stop')])
play.connect('clicked', self.play)
stop.connect('clicked', self.stop)
self.rock = pack(vbox, gtk.CheckButton('Rock'))
self.time = gtk.Adjustment(2.0, 0.5, 9.0, 0.2)
hscale = pack(vbox, gtk.HScale(self.time))
hscale.set_update_policy(gtk.UPDATE_DISCONTINUOUS)
self.time.connect('value-changed', self.new_time)
self.add(vbox)
self.set_tip = gtk.Tooltips().set_tip
self.set_tip(hscale, _('Adjust play time.'))
vbox.show()
self.show()
self.gui = gui
#gui.m=self
self.direction = 1
self.id = None
def __init__(self, vbox):
self.eventbox = gtk.EventBox()
self.label = gtk.Label()
self.eventbox.add(self.label)
self.label.show()
if gtk.pygtk_version < (2, 12):
self.set_tip(self.eventbox, _('Tip for status box ...'))
else:
self.eventbox.set_tooltip_text(_('Tip for status box ...'))
pack(vbox, self.eventbox)
self.ordered_indices = []
def __init__(self, text):
gtk.Window.__init__(self)
vbox = gtk.VBox()
self.add(vbox)
label = pack(vbox, gtk.Label())
label.set_line_wrap(True)
text = _(text).replace('<c>', '<span foreground="blue">')
text = text.replace('</c>', '</span>')
label.set_markup(text)
close = pack(vbox, gtk.Button(_('Close')))
close.connect('clicked', lambda widget: self.destroy())
self.show_all()
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title(_('Constraints'))
vbox = gtk.VBox()
b = pack(vbox,
[gtk.Button(_('Constrain')),
gtk.Label(_(' selected atoms'))])[0]
b.connect('clicked', self.selected)
b = pack(
vbox,
[gtk.Button(_('Constrain')),
gtk.Label(_(' immobile atoms:'))])[0]
b.connect('clicked', self.immobile)
b = pack(
vbox,
[gtk.Button(_('Unconstrain')),
gtk.Label(_(' selected atoms:'))])[0]
b.connect('clicked', self.unconstrain)
b = pack(vbox, gtk.Button('Clear constraints'))
b.connect('clicked', self.clear)
close = pack(vbox, gtk.Button(_('Close')))
close.connect('clicked', lambda widget: self.destroy())
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
def __init__(self, gui):
gtk.Window.__init__(self)
#self.window.set_position(gtk.WIN_POS_CENTER)
#self.window.connect("destroy", lambda w: gtk.main_quit())
#self.window.connect('delete_event', self.exit)
self.set_title('Graphs')
vbox = gtk.VBox()
self.expr = pack(vbox, [gtk.Entry(40),
help('Help for plot ...')])[0]
self.expr.connect('activate', self.plot)
completion = gtk.EntryCompletion()
self.liststore = gtk.ListStore(str)
for s in ['fmax', 's, e-E[0]', 'i, d(0,1)']:
self.liststore.append([s])
completion.set_model(self.liststore)
self.expr.set_completion(completion)
completion.set_text_column(0)
button = pack(vbox, [gtk.Button('Plot'),
gtk.Label(' x, y1, y2, ...')])[0]
button.connect('clicked', self.plot, 'xy')
button = pack(vbox, [gtk.Button('Plot'),
gtk.Label(' y1, y2, ...')])[0]
button.connect('clicked', self.plot, 'y')
button = pack(vbox, gtk.Button(_('clear')))
button.connect('clicked', self.clear)
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
def __init__(self, menubar, name, items):
self.items = {}
menu = gtk.Menu()
for data in items:
text = data[0]
callback = data[1]
args = data[2:]
menuitem = gtk.MenuItem(_(text))
menu.append(menuitem)
menuitem.connect('activate', callback, *args)
menuitem.show()
self.items[text] = menuitem
menuitem = gtk.MenuItem(_(name))
menubar.append(menuitem)
menuitem.set_submenu(menu)
menuitem.show()
def __init__(self, vbox):
self.eventbox = gtk.EventBox()
self.label = gtk.Label()
self.eventbox.add(self.label)
self.label.show()
self.set_tip(self.eventbox, _('Tip for status box ...'))
pack(vbox, self.eventbox)
def __init__(self, menubar, name, items):
self.items = {}
menu = gtk.Menu()
for data in items:
text = data[0]
callback = data[1]
args = data[2:]
menuitem = gtk.MenuItem(_(text))
menu.append(menuitem)
menuitem.connect('activate', callback, *args)
menuitem.show()
self.items[text] = menuitem
menuitem = gtk.MenuItem(_(name))
menubar.append(menuitem)
menuitem.set_submenu(menu)
menuitem.show()
def set_text(self, text):
# Count line length
linelen = max([len(x) for x in text.split('\n')])
text = _(text).replace('<c>', '<span foreground="blue">')
text = text.replace('</c>', '</span>')
self.label.set_width_chars(linelen)
self.label.set_line_wrap(False)
self.label.set_markup(text)
def initialize(self, text):
gtk.Window.__init__(self)
self.set_title("Help")
self._initialized = True
vbox = gtk.VBox()
self.add(vbox)
self.label = pack(vbox, gtk.Label())
self.label.set_line_wrap(True)
self.set_text(text)
close = gtk.Button(_('Close'))
pack(vbox, [close])
close.connect('clicked', self.destroy)
self.connect("delete-event", self.destroy)
self.show_all()
def save_output(self, *args):
chooser = gtk.FileChooserDialog(_('Save Terminal text ...'), None,
gtk.FILE_CHOOSER_ACTION_SAVE,
(gtk.STOCK_CANCEL, gtk.RESPONSE_CANCEL,
gtk.STOCK_SAVE, gtk.RESPONSE_OK))
save = chooser.run()
if save == gtk.RESPONSE_OK or save == gtk.RESPONSE_SAVE:
filename = chooser.get_filename()
text = self.textbuffer.get_text(self.textbuffer.get_start_iter(),
self.textbuffer.get_end_iter())
fd = open(filename, 'w')
fd.write(text)
fd.close()
chooser.destroy()
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title('Repeat')
vbox = gtk.VBox()
pack(vbox, gtk.Label(_('Repeat atoms:')))
self.repeat = [gtk.Adjustment(r, 1, 9, 1) for r in gui.images.repeat]
pack(vbox, [gtk.SpinButton(r, 0, 0) for r in self.repeat])
for r in self.repeat:
r.connect('value-changed', self.change)
button = pack(vbox, gtk.Button('Set unit cell'))
button.connect('clicked', self.set_unit_cell)
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title('Repeat')
vbox = gtk.VBox()
pack(vbox, gtk.Label(_('Repeat atoms:')))
self.repeat = [gtk.Adjustment(r, 1, 9, 1) for r in gui.images.repeat]
pack(vbox, [gtk.SpinButton(r, 0, 0) for r in self.repeat])
for r in self.repeat:
r.connect('value-changed', self.change)
button = pack(vbox, gtk.Button('Set unit cell'))
button.connect('clicked', self.set_unit_cell)
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title(_('Constraints'))
vbox = gtk.VBox()
b = pack(vbox, [gtk.Button(_('Constrain')),
gtk.Label(_(' selected atoms'))])[0]
b.connect('clicked', self.selected)
b = pack(vbox, [gtk.Button(_('Constrain')),
gtk.Label(_(' immobile atoms:'))])[0]
b.connect('clicked', self.immobile)
b = pack(vbox, gtk.Button('Clear constraints'))
b.connect('clicked', self.clear)
close = pack(vbox, gtk.Button(_('Close')))
close.connect('clicked', lambda widget: self.destroy())
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
def __init__(self, gui):
gtk.Window.__init__(self)
#self.window.set_position(gtk.WIN_POS_CENTER)
#self.window.connect("destroy", lambda w: gtk.main_quit())
#self.window.connect('delete_event', self.exit)
self.set_title('Graphs')
vbox = gtk.VBox()
self.expr = pack(vbox, [gtk.Entry(40),
help('Help for plot ...')])[0]
self.expr.connect('activate', self.plot)
completion = gtk.EntryCompletion()
self.liststore = gtk.ListStore(str)
for s in ['fmax', 's, e-E[0]', 'i, d(0,1)']:
self.liststore.append([s])
completion.set_model(self.liststore)
self.expr.set_completion(completion)
completion.set_text_column(0)
button = pack(vbox, [gtk.Button('Plot'),
gtk.Label(' x, y1, y2, ...')])[0]
button.connect('clicked', self.plot, 'xy')
button = pack(vbox, [gtk.Button('Plot'),
gtk.Label(' y1, y2, ...')])[0]
button.connect('clicked', self.plot, 'y')
save_button = gtk.Button(stock=gtk.STOCK_SAVE)
save_button.connect('clicked',self.save)
clear_button = gtk.Button(_('clear'))
clear_button.connect('clicked', self.clear)
pack(vbox, [save_button,clear_button])
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
def help(text):
button = gtk.Button(_('Help'))
button.connect('clicked', lambda widget, text=text: Help(text))
return button
def help(text):
button = gtk.Button(_('Help'))
button.connect('clicked', lambda widget, text=text: Help(text))
return button
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title('Settings')
self.gui = gui
vbox = gtk.VBox()
# Constraints
a = pack(vbox, gtk.Label())
a.set_markup('<span size="larger" underline="single">'
'Constraints:</span>')
a, b = pack(vbox, [gtk.Button(_('Constrain')),
gtk.Label('/'),
gtk.Button(_('release')),
gtk.Label(_(' selected atoms'))])[::2]
a.connect('clicked', self.constrain_selected)
b.connect('clicked', self.release_selected)
a = pack(vbox, gtk.Button(_('Constrain immobile atoms')))
a.connect('clicked', self.immobile)
a = pack(vbox, gtk.Button(_('Clear all constraints')))
a.connect('clicked', self.clear_constraints)
# Visibility
a = pack(vbox, gtk.Label())
a.set_markup('\n<span size="larger" underline="single">'
'Visibility:</span>')
a, b = pack(vbox, [gtk.Button(_('Hide')),
gtk.Label('/'),
gtk.Button(_('show')),
gtk.Label(_(' selected atoms'))])[::2]
a.connect('clicked', self.hide_selected)
b.connect('clicked', self.show_selected)
a = pack(vbox, gtk.Button(_('View all atoms')))
a.connect('clicked', self.view_all)
# Miscellaneous
a = pack(vbox, gtk.Label())
a.set_markup('\n<span size="larger" underline="single">'
'Miscellaneous:</span>')
self.scale = gtk.Adjustment(value=.89, lower=0.2, upper=2.0,
step_incr=0.1, page_incr=0.5)
pack(vbox, [gtk.Label(_('Scale atomic radii:')),
gtk.SpinButton(self.scale, climb_rate=0, digits=2)])
self.scale.connect('value-changed', self.scale_radii)
# A close button
pack(vbox, gtk.Label(_('\n')))
close = pack(vbox, gtk.Button(_('Close')))
close.connect('clicked', lambda widget: self.destroy())
# Add elements and show frame
self.add(vbox)
vbox.show()
self.show()
def __init__(self, gui):
gtk.Window.__init__(self)
self.set_title('Settings')
self.gui = gui
vbox = gtk.VBox()
# Constraints
a = pack(vbox, gtk.Label())
a.set_markup('<span size="larger" underline="single">'
'Constraints:</span>')
a, b = pack(vbox, [
gtk.Button(_('Constrain')),
gtk.Label('/'),
gtk.Button(_('release')),
gtk.Label(_(' selected atoms'))
])[::2]
a.connect('clicked', self.constrain_selected)
b.connect('clicked', self.release_selected)
a = pack(vbox, gtk.Button(_('Constrain immobile atoms')))
a.connect('clicked', self.immobile)
a = pack(vbox, gtk.Button(_('Clear all constraints')))
a.connect('clicked', self.clear_constraints)
# Visibility
a = pack(vbox, gtk.Label())
a.set_markup('\n<span size="larger" underline="single">'
'Visibility:</span>')
a, b = pack(vbox, [
gtk.Button(_('Hide')),
gtk.Label('/'),
gtk.Button(_('show')),
gtk.Label(_(' selected atoms'))
])[::2]
a.connect('clicked', self.hide_selected)
b.connect('clicked', self.show_selected)
a = pack(vbox, gtk.Button(_('View all atoms')))
a.connect('clicked', self.view_all)
# Miscellaneous
a = pack(vbox, gtk.Label())
a.set_markup('\n<span size="larger" underline="single">'
'Miscellaneous:</span>')
self.scale = gtk.Adjustment(value=.89,
lower=0.2,
upper=2.0,
step_incr=0.1,
page_incr=0.5)
pack(vbox, [
gtk.Label(_('Scale atomic radii:')),
gtk.SpinButton(self.scale, climb_rate=0, digits=2)
])
self.scale.connect('value-changed', self.scale_radii)
# A close button
pack(vbox, gtk.Label(_('\n')))
close = pack(vbox, gtk.Button(_('Close')))
close.connect('clicked', lambda widget: self.destroy())
# Add elements and show frame
self.add(vbox)
vbox.show()
self.show()