class NeighborShellsDialog(FieldsDialogSimple):
def __init__(self):
self.atom_expression = Expression()
FieldsDialogSimple.__init__(
self, "Neighbor shells",
fields.faulty.Expression(
label_text="Atom expression (atom, graph)",
attribute_name="atom_expression",
history_name="atom_expression",
width=250,
height=150,
), (("Evaluate", RESPONSE_EVALUATE), ("Select", RESPONSE_SELECT),
(gtk.STOCK_SAVE, RESPONSE_SAVE),
(gtk.STOCK_CLOSE, gtk.RESPONSE_CLOSE)))
def create_dialog(self):
FieldsDialogSimple.create_dialog(self)
self.list_view = gtk.TreeView(self.list_store)
column = gtk.TreeViewColumn("Index", gtk.CellRendererText(), text=0)
column.set_sort_column_id(0)
self.list_view.append_column(column)
column = gtk.TreeViewColumn("Number", gtk.CellRendererText(), text=1)
column.set_sort_column_id(1)
self.list_view.append_column(column)
column = gtk.TreeViewColumn("Atom", gtk.CellRendererText(), text=2)
column.set_sort_column_id(2)
self.list_view.append_column(column)
column = gtk.TreeViewColumn("Value", gtk.CellRendererText(), markup=3)
column.set_sort_column_id(3)
self.list_view.append_column(column)
for index in xrange(1, self.max_shell_size + 1):
column = gtk.TreeViewColumn("Shell %i" % index,
gtk.CellRendererText(),
markup=index + 3)
column.set_sort_column_id(index + 3)
self.list_view.append_column(column)
selection = self.list_view.get_selection()
selection.set_mode(gtk.SELECTION_MULTIPLE)
selection.connect("changed", self.on_selection_changed)
self.scrolled_window = gtk.ScrolledWindow()
self.scrolled_window.set_shadow_type(gtk.SHADOW_IN)
self.scrolled_window.set_shadow_type(gtk.SHADOW_IN)
self.scrolled_window.set_policy(gtk.POLICY_AUTOMATIC,
gtk.POLICY_AUTOMATIC)
self.scrolled_window.set_border_width(6)
self.scrolled_window.add(self.list_view)
self.scrolled_window.set_size_request(400, 300)
self.scrolled_window.show_all()
self.dialog.vbox.pack_start(self.scrolled_window)
def run(self, max_shell_size, rows, graph):
self.graph = graph
self.max_shell_size = max_shell_size
self.list_store = gtk.ListStore(int, int,
*([str] * (max_shell_size + 2)))
for index, row in enumerate(rows):
row += [""] * (max_shell_size - (len(row) - 4))
self.list_store.append(row)
response = FieldsDialogSimple.run(self, self)
self.list_view.set_model(None)
for column in self.list_view.get_columns():
self.list_view.remove_column(column)
del self.graph
del self.max_shell_size
return response
def on_selection_changed(self, selection):
model, paths = selection.get_selected_rows()
to_select = []
for path in paths:
iter = model.get_iter(path)
to_select.append(self.graph.nodes[model.get_value(iter, 0) - 1])
context.application.main.select_nodes(to_select)
def on_dialog_response(self, dialog, response_id):
FieldsDialogSimple.on_dialog_response(self, dialog, response_id)
if self.valid:
self.atom_expression.variables = ("atom", "graph")
self.atom_expression.compile_as("<atom_expression>")
if response_id == RESPONSE_EVALUATE:
self.evaluate()
self.hide = False
if response_id == RESPONSE_SELECT:
self.select()
self.hide = True
elif response_id == RESPONSE_SAVE:
self.save()
self.hide = False
def do_expressions(self):
atom_values = []
try:
for atom in self.graph.nodes:
atom_values.append(self.atom_expression(atom, self.graph))
except:
exc_type, exc_value, tb = sys.exc_info()
err_msg = "".join(
traceback.format_exception(exc_type, exc_value, tb))
ok_error(
"An error occured while evaluating the shell and atom expressions.",
err_msg,
line_wrap=False)
self.hide = False
return None
return atom_values
def evaluate(self):
atom_values = self.do_expressions()
if atom_values is not None:
for index, value in enumerate(atom_values):
self.list_store[index][3] = value
def select(self):
atom_values = self.do_expressions()
if atom_values is not None:
to_select = [
atom for atom, value in zip(self.graph.nodes, atom_values)
if value
]
context.application.main.select_nodes(to_select)
def save(self):
atom_values = self.do_expressions()
if atom_values is not None:
filename = context.application.model.filename
if filename is None:
filename = ""
else:
filename = filename[:filename.rfind(".")]
filename = ask_save_filename("Save shell data", filename)
if filename is not None:
if not filename.endswith(".txt"):
filename += ".txt"
f = file(filename, "w")
for atom, value in zip(self.graph.nodes, atom_values):
print >> f, atom.get_name(), value
f.close()
class NeighborShellsDialog(FieldsDialogSimple):
def __init__(self):
self.atom_expression = Expression()
FieldsDialogSimple.__init__(
self,
"Neighbor shells",
fields.faulty.Expression(
label_text="Atom expression (atom, graph)",
attribute_name="atom_expression",
history_name="atom_expression",
width=250,
height=150,
), (
("Evaluate", RESPONSE_EVALUATE),
("Select", RESPONSE_SELECT),
(gtk.STOCK_SAVE, RESPONSE_SAVE),
(gtk.STOCK_CLOSE, gtk.RESPONSE_CLOSE)
)
)
def create_dialog(self):
FieldsDialogSimple.create_dialog(self)
self.list_view = gtk.TreeView(self.list_store)
column = gtk.TreeViewColumn("Index", gtk.CellRendererText(), text=0)
column.set_sort_column_id(0)
self.list_view.append_column(column)
column = gtk.TreeViewColumn("Number", gtk.CellRendererText(), text=1)
column.set_sort_column_id(1)
self.list_view.append_column(column)
column = gtk.TreeViewColumn("Atom", gtk.CellRendererText(), text=2)
column.set_sort_column_id(2)
self.list_view.append_column(column)
column = gtk.TreeViewColumn("Value", gtk.CellRendererText(), markup=3)
column.set_sort_column_id(3)
self.list_view.append_column(column)
for index in xrange(1, self.max_shell_size+1):
column = gtk.TreeViewColumn("Shell %i" % index, gtk.CellRendererText(), markup=index+3)
column.set_sort_column_id(index+3)
self.list_view.append_column(column)
selection = self.list_view.get_selection()
selection.set_mode(gtk.SELECTION_MULTIPLE)
selection.connect("changed", self.on_selection_changed)
self.scrolled_window = gtk.ScrolledWindow()
self.scrolled_window.set_shadow_type(gtk.SHADOW_IN)
self.scrolled_window.set_shadow_type(gtk.SHADOW_IN)
self.scrolled_window.set_policy(gtk.POLICY_AUTOMATIC, gtk.POLICY_AUTOMATIC)
self.scrolled_window.set_border_width(6)
self.scrolled_window.add(self.list_view)
self.scrolled_window.set_size_request(400, 300)
self.scrolled_window.show_all()
self.dialog.vbox.pack_start(self.scrolled_window)
def run(self, max_shell_size, rows, graph):
self.graph = graph
self.max_shell_size = max_shell_size
self.list_store = gtk.ListStore(int, int, *([str]*(max_shell_size+2)))
for index, row in enumerate(rows):
row += [""]*(max_shell_size-(len(row)-4))
self.list_store.append(row)
response = FieldsDialogSimple.run(self, self)
self.list_view.set_model(None)
for column in self.list_view.get_columns():
self.list_view.remove_column(column)
del self.graph
del self.max_shell_size
return response
def on_selection_changed(self, selection):
model, paths = selection.get_selected_rows()
to_select = []
for path in paths:
iter = model.get_iter(path)
to_select.append(self.graph.nodes[model.get_value(iter, 0)-1])
context.application.main.select_nodes(to_select)
def on_dialog_response(self, dialog, response_id):
FieldsDialogSimple.on_dialog_response(self, dialog, response_id)
if self.valid:
self.atom_expression.variables = ("atom", "graph")
self.atom_expression.compile_as("<atom_expression>")
if response_id == RESPONSE_EVALUATE:
self.evaluate()
self.hide = False
if response_id == RESPONSE_SELECT:
self.select()
self.hide = True
elif response_id == RESPONSE_SAVE:
self.save()
self.hide = False
def do_expressions(self):
atom_values = []
try:
for atom in self.graph.nodes:
atom_values.append(self.atom_expression(atom, self.graph))
except:
exc_type, exc_value, tb = sys.exc_info()
err_msg = "".join(traceback.format_exception(exc_type, exc_value, tb))
ok_error(
"An error occured while evaluating the shell and atom expressions.",
err_msg, line_wrap=False
)
self.hide = False
return None
return atom_values
def evaluate(self):
atom_values = self.do_expressions()
if atom_values is not None:
for index, value in enumerate(atom_values):
self.list_store[index][3] = value
def select(self):
atom_values = self.do_expressions()
if atom_values is not None:
to_select = [atom for atom, value in zip(self.graph.nodes, atom_values) if value]
context.application.main.select_nodes(to_select)
def save(self):
atom_values = self.do_expressions()
if atom_values is not None:
filename = context.application.model.filename
if filename is None:
filename = ""
else:
filename = filename[:filename.rfind(".")]
filename = ask_save_filename("Save shell data", filename)
if filename is not None:
if not filename.endswith(".txt"):
filename += ".txt"
f = file(filename, "w")
for atom, value in zip(self.graph.nodes, atom_values):
print >> f, atom.get_name(), value
f.close()
