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def hole_ify():
global start_pos, end_pos
start_pos = False
end_pos = False
def status_bar_pos(position, pos_type):
s = "Hole %s point set: (%6.2f %6.2f %6.2f)" %(pos_type,
position[0],
position[1],
position[2])
coot.add_status_bar_text(s)
window = gtk.Window(gtk.WINDOW_TOPLEVEL)
vbox = gtk.VBox(False, 0)
hbox = gtk.VBox(False, 0)
hbox_pos_buttons = gtk.HBox(False, 0)
hbox_calc_cancel_buttons = gtk.HBox(False, 0)
start_button = gtk.Button(label=" Set Start Point ")
end_button = gtk.Button(label=" Set End Point ")
h_sep = gtk.HSeparator()
calculate_button = gtk.Button(label="Calculate")
cancel_button = gtk.Button(label="Cancel")
hole_export_entry = gtk.Entry()
export_text = gtk.Label(label="Export surface dots to File: ")
export_hbox = gtk.HBox(False, 0)
combobox = coot_gui.generic_molecule_chooser(hbox, "HOLE-ify molecule: ")
window.add(vbox)
hbox_pos_buttons.append(start_button)
hbox_pos_buttons.append(end_button)
hbox_calc_cancel_buttons.append(calculate_button)
hbox_calc_cancel_buttons.append(cancel_button)
export_hbox.append(export_text)
export_hbox.append(hole_export_entry)
vbox.append(hbox)
vbox.append(hbox_pos_buttons)
vbox.append(export_hbox)
vbox.pack_start(h_sep)
vbox.append(hbox_calc_cancel_buttons)
hole_export_entry.set_text("hole_surface_dots.dat")
def start_button_cb(*args):
global start_pos
start_pos = coot_utils.rotation_centre()
print("Start pos set to:", start_pos)
status_bar_pos(start_pos, "start")
start_button.connect("clicked", start_button_cb)
def end_button_cb(*args):
global end_pos
end_pos = coot_utils.rotation_centre()
print("End pos set to:", end_pos)
status_bar_pos(end_pos, "end")
end_button.connect("clicked", end_button_cb)
def delete_event(*args):
window.destroy()
return False
def calculate_button_cb(*args):
global start_pos, end_pos
imol = combobox_to_molecule_number(combobox)
if isinstance(imol, int):
print(start_pos, end_pos)
if not isinstance(start_pos, list):
coot.add_status_bar_text("Start position not set")
else:
if not isinstance(end_pos, list):
coot.add_status_bar_text("End position not set")
else:
# main?
print("hole", imol, start_pos, end_pos)
# get this from an entry ideally.
export_dots_file_name = hole_export_entry.get_text()
colour_map_multiplier = 1
colour_map_offset = 0
hole_args = [imol] + start_pos + end_pos + \
[colour_map_multiplier, colour_map_offset, 1,
True, export_dots_file_name]
print("BL DEBUG:: hole_args", hole_args)
coot.hole(*hole_args)
delete_event()
calculate_button.connect("clicked", calculate_button_cb)
cancel_button.connect("clicked", delete_event)
window.show_all()
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