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(64), help(graph_help_text)])[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 __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, gui):
gtk.Window.__init__(self)
self.set_title('Graphs')
vbox = gtk.VBox()
self.expr = pack(vbox, [gtk.Entry(64),
help(graph_help_text)])[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 makebutbox(self, vbox, helptext=None):
self.buttons = gtk.HButtonBox()
runbut = gtk.Button(_("Run"))
runbut.connect('clicked', self.run)
closebut = gtk.Button(stock=gtk.STOCK_CLOSE)
closebut.connect('clicked', lambda x: self.destroy())
for w in (runbut, closebut):
self.buttons.pack_start(w, 0, 0)
w.show()
if helptext:
helpbut = [help(helptext)]
else:
helpbut = []
pack(vbox, helpbut + [self.buttons], end=True, bottom=True)
def makebutbox(self, vbox, helptext=None):
self.buttons = gtk.HButtonBox()
runbut = gtk.Button(_("Run"))
runbut.connect('clicked', self.run)
closebut = gtk.Button(stock=gtk.STOCK_CLOSE)
closebut.connect('clicked', lambda x: self.destroy())
for w in (runbut, closebut):
self.buttons.pack_start(w, 0, 0)
w.show()
if helptext:
helpbut = [help(helptext)]
else:
helpbut = []
pack(vbox, helpbut + [self.buttons], end=True, bottom=True)
def __init__(self, gui):
SetupWindow.__init__(self)
self.set_title("Nanoparticle")
self.atoms = None
self.no_update = True
vbox = gtk.VBox()
# Intoductory text
self.packtext(vbox, introtext)
# Choose the element
label = gtk.Label("Element: ")
label.set_alignment(0.0, 0.2)
element = gtk.Entry(max=3)
self.element = element
lattice_button = gtk.Button("Get structure")
lattice_button.connect('clicked', self.set_structure_data)
self.elementinfo = gtk.Label(" ")
pack(vbox, [label, element, self.elementinfo, lattice_button],
end=True)
self.element.connect('activate', self.update)
self.legal_element = False
# The structure and lattice constant
label = gtk.Label("Structure: ")
self.structure = gtk.combo_box_new_text()
self.list_of_structures = []
self.needs_4index = {}
self.needs_2lat = {}
self.factory = {}
for abbrev, name, n4, c, factory in self.structure_data:
self.structure.append_text(name)
self.list_of_structures.append(abbrev)
self.needs_4index[abbrev] = n4
self.needs_2lat[abbrev] = c
self.factory[abbrev] = factory
self.structure.set_active(0)
self.fourindex = self.needs_4index[self.list_of_structures[0]]
self.structure.connect('changed', self.update_structure)
label2 = gtk.Label("Lattice constant: a =")
self.lattice_const_a = gtk.Adjustment(3.0, 0.0, 1000.0, 0.01)
self.lattice_const_c = gtk.Adjustment(5.0, 0.0, 1000.0, 0.01)
self.lattice_box_a = gtk.SpinButton(self.lattice_const_a, 10.0, 3)
self.lattice_box_c = gtk.SpinButton(self.lattice_const_c, 10.0, 3)
self.lattice_box_a.numeric = True
self.lattice_box_c.numeric = True
self.lattice_label_c = gtk.Label(" c =")
pack(vbox, [label, self.structure])
pack(vbox, [
label2, self.lattice_box_a, self.lattice_label_c,
self.lattice_box_c
])
self.lattice_label_c.hide()
self.lattice_box_c.hide()
self.lattice_const_a.connect('value-changed', self.update)
self.lattice_const_c.connect('value-changed', self.update)
# Choose specification method
label = gtk.Label("Method: ")
self.method = gtk.combo_box_new_text()
for meth in ("Layer specification", "Wulff construction"):
self.method.append_text(meth)
self.method.set_active(0)
self.method.connect('changed', self.update_gui_method)
pack(vbox, [label, self.method])
pack(vbox, gtk.Label(""))
self.old_structure = None
frame = gtk.Frame()
pack(vbox, frame)
framebox = gtk.VBox()
frame.add(framebox)
framebox.show()
self.layerlabel = gtk.Label("Missing text") # Filled in later
pack(framebox, [self.layerlabel])
# This box will contain a single table that is replaced when
# the list of directions is changed.
self.direction_table_box = gtk.VBox()
pack(framebox, self.direction_table_box)
pack(self.direction_table_box, gtk.Label("Dummy placeholder object"))
pack(framebox, gtk.Label(""))
pack(framebox, [gtk.Label("Add new direction:")])
self.newdir_label = []
self.newdir_box = []
self.newdir_index = []
packlist = []
for txt in ('(', ', ', ', ', ', '):
self.newdir_label.append(gtk.Label(txt))
adj = gtk.Adjustment(0, -100, 100, 1)
self.newdir_box.append(gtk.SpinButton(adj, 1, 0))
self.newdir_index.append(adj)
packlist.append(self.newdir_label[-1])
packlist.append(self.newdir_box[-1])
self.newdir_layers = gtk.Adjustment(5, 0, 100, 1)
self.newdir_layers_box = gtk.SpinButton(self.newdir_layers, 1, 0)
self.newdir_esurf = gtk.Adjustment(1.0, 0, 1000.0, 0.1)
self.newdir_esurf_box = gtk.SpinButton(self.newdir_esurf, 10, 3)
addbutton = gtk.Button("Add")
addbutton.connect('clicked', self.row_add)
packlist.extend([
gtk.Label("): "), self.newdir_layers_box, self.newdir_esurf_box,
gtk.Label(" "), addbutton
])
pack(framebox, packlist)
self.defaultbutton = gtk.Button("Set all directions to default values")
self.defaultbutton.connect('clicked', self.default_direction_table)
self.default_direction_table()
# Extra widgets for the Wulff construction
self.wulffbox = gtk.VBox()
pack(vbox, self.wulffbox)
label = gtk.Label("Particle size: ")
self.size_n_radio = gtk.RadioButton(None, "Number of atoms: ")
self.size_n_radio.set_active(True)
self.size_n_adj = gtk.Adjustment(100, 1, 100000, 1)
self.size_n_spin = gtk.SpinButton(self.size_n_adj, 0, 0)
self.size_dia_radio = gtk.RadioButton(self.size_n_radio, "Volume: ")
self.size_dia_adj = gtk.Adjustment(1.0, 0, 100.0, 0.1)
self.size_dia_spin = gtk.SpinButton(self.size_dia_adj, 10.0, 2)
pack(self.wulffbox, [
label, self.size_n_radio, self.size_n_spin,
gtk.Label(" "), self.size_dia_radio, self.size_dia_spin,
gtk.Label("ų")
])
self.size_n_radio.connect("toggled", self.update_gui_size)
self.size_dia_radio.connect("toggled", self.update_gui_size)
self.size_n_adj.connect("value-changed", self.update_size_n)
self.size_dia_adj.connect("value-changed", self.update_size_dia)
label = gtk.Label(
"Rounding: If exact size is not possible, choose the size")
pack(self.wulffbox, [label])
self.round_above = gtk.RadioButton(None, "above ")
self.round_below = gtk.RadioButton(self.round_above, "below ")
self.round_closest = gtk.RadioButton(self.round_above, "closest ")
self.round_closest.set_active(True)
butbox = gtk.HButtonBox()
self.smaller_button = gtk.Button("Smaller")
self.larger_button = gtk.Button("Larger")
self.smaller_button.connect('clicked', self.wulff_smaller)
self.larger_button.connect('clicked', self.wulff_larger)
pack(butbox, [self.smaller_button, self.larger_button])
buts = [self.round_above, self.round_below, self.round_closest]
for b in buts:
b.connect("toggled", self.update)
buts.append(butbox)
pack(self.wulffbox, buts, end=True)
# Information
pack(vbox, gtk.Label(""))
infobox = gtk.VBox()
label1 = gtk.Label("Number of atoms: ")
self.natoms_label = gtk.Label("-")
label2 = gtk.Label(" Approx. diameter: ")
self.dia1_label = gtk.Label("-")
pack(infobox, [label1, self.natoms_label, label2, self.dia1_label])
pack(infobox, gtk.Label(""))
infoframe = gtk.Frame("Information about the created cluster:")
infoframe.add(infobox)
infobox.show()
pack(vbox, infoframe)
# Buttons
self.pybut = PyButton("Creating a nanoparticle.")
self.pybut.connect('clicked', self.makeatoms)
helpbut = help(helptext)
buts = cancel_apply_ok(cancel=lambda widget: self.destroy(),
apply=self.apply,
ok=self.ok)
pack(vbox, [self.pybut, helpbut, buts], end=True, bottom=True)
self.auto = gtk.CheckButton("Automatic Apply")
fr = gtk.Frame()
fr.add(self.auto)
fr.show_all()
pack(vbox, [fr], end=True, bottom=True)
# Finalize setup
self.update_structure()
self.update_gui_method()
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
self.no_update = False
def __init__(self, gui):
SetupWindow.__init__(self)
self.set_title(_("Nanoparticle"))
self.atoms = None
self.no_update = True
vbox = gtk.VBox()
# Intoductory text
self.packtext(vbox, introtext)
# Choose the element
label = gtk.Label(_("Element: "))
label.set_alignment(0.0, 0.2)
element = gtk.Entry(max=3)
self.element = element
lattice_button = gtk.Button(_("Get structure"))
lattice_button.connect('clicked', self.set_structure_data)
self.elementinfo = gtk.Label(" ")
pack(vbox, [label, element, self.elementinfo, lattice_button], end=True)
self.element.connect('activate', self.update)
self.legal_element = False
# The structure and lattice constant
label = gtk.Label(_("Structure: "))
self.structure = gtk.combo_box_new_text()
self.list_of_structures = []
self.needs_4index = {}
self.needs_2lat = {}
self.factory = {}
for abbrev, name, n4, c, factory in self.structure_data:
self.structure.append_text(name)
self.list_of_structures.append(abbrev)
self.needs_4index[abbrev] = n4
self.needs_2lat[abbrev] = c
self.factory[abbrev] = factory
self.structure.set_active(0)
self.fourindex = self.needs_4index[self.list_of_structures[0]]
self.structure.connect('changed', self.update_structure)
label2 = gtk.Label(_("Lattice constant: a ="))
self.lattice_const_a = gtk.Adjustment(3.0, 0.0, 1000.0, 0.01)
self.lattice_const_c = gtk.Adjustment(5.0, 0.0, 1000.0, 0.01)
self.lattice_box_a = gtk.SpinButton(self.lattice_const_a, 10.0, 3)
self.lattice_box_c = gtk.SpinButton(self.lattice_const_c, 10.0, 3)
self.lattice_box_a.numeric = True
self.lattice_box_c.numeric = True
self.lattice_label_c = gtk.Label(" c =")
pack(vbox, [label, self.structure])
pack(vbox, [label2, self.lattice_box_a,
self.lattice_label_c, self.lattice_box_c])
self.lattice_label_c.hide()
self.lattice_box_c.hide()
self.lattice_const_a.connect('value-changed', self.update)
self.lattice_const_c.connect('value-changed', self.update)
# Choose specification method
label = gtk.Label(_("Method: "))
self.method = gtk.combo_box_new_text()
for meth in (_("Layer specification"), _("Wulff construction")):
self.method.append_text(meth)
self.method.set_active(0)
self.method.connect('changed', self.update_gui_method)
pack(vbox, [label, self.method])
pack(vbox, gtk.Label(""))
self.old_structure = None
frame = gtk.Frame()
pack(vbox, frame)
framebox = gtk.VBox()
frame.add(framebox)
framebox.show()
self.layerlabel = gtk.Label("Missing text") # Filled in later
pack(framebox, [self.layerlabel])
# This box will contain a single table that is replaced when
# the list of directions is changed.
self.direction_table_box = gtk.VBox()
pack(framebox, self.direction_table_box)
pack(self.direction_table_box,
gtk.Label(_("Dummy placeholder object")))
pack(framebox, gtk.Label(""))
pack(framebox, [gtk.Label(_("Add new direction:"))])
self.newdir_label = []
self.newdir_box = []
self.newdir_index = []
packlist = []
for txt in ('(', ', ', ', ', ', '):
self.newdir_label.append(gtk.Label(txt))
adj = gtk.Adjustment(0, -100, 100, 1)
self.newdir_box.append(gtk.SpinButton(adj, 1, 0))
self.newdir_index.append(adj)
packlist.append(self.newdir_label[-1])
packlist.append(self.newdir_box[-1])
self.newdir_layers = gtk.Adjustment(5, 0, 100, 1)
self.newdir_layers_box = gtk.SpinButton(self.newdir_layers, 1, 0)
self.newdir_esurf = gtk.Adjustment(1.0, 0, 1000.0, 0.1)
self.newdir_esurf_box = gtk.SpinButton(self.newdir_esurf, 10, 3)
addbutton = gtk.Button(_("Add"))
addbutton.connect('clicked', self.row_add)
packlist.extend([gtk.Label("): "),
self.newdir_layers_box,
self.newdir_esurf_box,
gtk.Label(" "),
addbutton])
pack(framebox, packlist)
self.defaultbutton = gtk.Button(_("Set all directions to default "
"values"))
self.defaultbutton.connect('clicked', self.default_direction_table)
self.default_direction_table()
# Extra widgets for the Wulff construction
self.wulffbox = gtk.VBox()
pack(vbox, self.wulffbox)
label = gtk.Label(_("Particle size: "))
self.size_n_radio = gtk.RadioButton(None, _("Number of atoms: "))
self.size_n_radio.set_active(True)
self.size_n_adj = gtk.Adjustment(100, 1, 100000, 1)
self.size_n_spin = gtk.SpinButton(self.size_n_adj, 0, 0)
self.size_dia_radio = gtk.RadioButton(self.size_n_radio,
_("Volume: "))
self.size_dia_adj = gtk.Adjustment(1.0, 0, 100.0, 0.1)
self.size_dia_spin = gtk.SpinButton(self.size_dia_adj, 10.0, 2)
pack(self.wulffbox, [label, self.size_n_radio, self.size_n_spin,
gtk.Label(" "), self.size_dia_radio, self.size_dia_spin,
gtk.Label(_(u"ų"))])
self.size_n_radio.connect("toggled", self.update_gui_size)
self.size_dia_radio.connect("toggled", self.update_gui_size)
self.size_n_adj.connect("value-changed", self.update_size_n)
self.size_dia_adj.connect("value-changed", self.update_size_dia)
label = gtk.Label(_("Rounding: If exact size is not possible, "
"choose the size"))
pack(self.wulffbox, [label])
self.round_above = gtk.RadioButton(None, _("above "))
self.round_below = gtk.RadioButton(self.round_above, _("below "))
self.round_closest = gtk.RadioButton(self.round_above, _("closest "))
self.round_closest.set_active(True)
butbox = gtk.HButtonBox()
self.smaller_button = gtk.Button(_("Smaller"))
self.larger_button = gtk.Button(_("Larger"))
self.smaller_button.connect('clicked', self.wulff_smaller)
self.larger_button.connect('clicked', self.wulff_larger)
pack(butbox, [self.smaller_button, self.larger_button])
buts = [self.round_above, self.round_below, self.round_closest]
for b in buts:
b.connect("toggled", self.update)
buts.append(butbox)
pack(self.wulffbox, buts, end=True)
# Information
pack(vbox, gtk.Label(""))
infobox = gtk.VBox()
label1 = gtk.Label(_("Number of atoms: "))
self.natoms_label = gtk.Label("-")
label2 = gtk.Label(_(" Approx. diameter: "))
self.dia1_label = gtk.Label("-")
pack(infobox, [label1, self.natoms_label, label2, self.dia1_label])
pack(infobox, gtk.Label(""))
infoframe = gtk.Frame(_("Information about the created cluster:"))
infoframe.add(infobox)
infobox.show()
pack(vbox, infoframe)
# Buttons
self.pybut = PyButton(_("Creating a nanoparticle."))
self.pybut.connect('clicked', self.makeatoms)
helpbut = help(helptext)
buts = cancel_apply_ok(cancel=lambda widget: self.destroy(),
apply=self.apply,
ok=self.ok)
pack(vbox, [self.pybut, helpbut, buts], end=True, bottom=True)
self.auto = gtk.CheckButton(_("Automatic Apply"))
fr = gtk.Frame()
fr.add(self.auto)
fr.show_all()
pack(vbox, [fr], end=True, bottom=True)
# Finalize setup
self.update_structure()
self.update_gui_method()
self.add(vbox)
vbox.show()
self.show()
self.gui = gui
self.no_update = False
