Chimie Théorique » QMX

import numpy as np

import gtk

from ase.gui.widgets import pack

from ase.utils import rotate, irotate

class Rotate(gtk.Window):

    update = True

    def __init__(self, gui):

        gtk.Window.__init__(self)

        angles = irotate(gui.axes)

        self.set_title('Rotate')

        vbox = gtk.VBox()

        pack(vbox, gtk.Label('Rotation angles:'))

        self.rotate = [gtk.Adjustment(value=a, lower=-360, upper=360,

                                      step_incr=1, page_incr=10)

                       for a in angles]

        pack(vbox, [gtk.SpinButton(a, climb_rate=0, digits=1)

                    for a in self.rotate])

        for r in self.rotate:

            r.connect('value-changed', self.change)

        button = pack(vbox, gtk.Button('Update'))

        button.connect('clicked', self.update_angles)

        pack(vbox, gtk.Label('Note:\nYou can rotate freely\n'

                             'with the mouse, by holding\n'

                             'down mouse botton 2.'))

        self.add(vbox)

        vbox.show()

        self.show()

        self.gui = gui

    def change(self, adjustment):

        if self.update:

            x, y, z = [float(a.value) for a in self.rotate]

            self.gui.axes = rotate('%fx,%fy,%fz' % (x, y, z))

            self.gui.set_coordinates()

        return True

    def update_angles(self, button):

        angles = irotate(self.gui.axes)

        self.update = False

        for r, a in zip(self.rotate, angles):

            r.value = a

        self.update = True