def rotate_nanoparticle(self, p1, p2, theta):
self._p1 = p1
self._p2 = p2
self._theta = theta
NUMOFP = len(self._x)
for i in range(NUMOFP):
p0 = point.point(self._x[i][0], self._x[i][1], self._x[i][2])
p0 = util.point_rotate(p1, p2, p0, theta)
self._x[i][0] = p0.get_x()
self._x[i][1] = p0.get_y()
self._x[i][2] = p0.get_z()
# faccio cosi' altrimenti annullo le label
for i in range(len(self._pinside_list)):
p = self._pinside_list[i]
p = util.point_rotate(p1, p2, p, theta)
self._pinside_list[i].set_x(p.get_x())
self._pinside_list[i].set_y(p.get_y())
self._pinside_list[i].set_z(p.get_z())
for i in range(len(self._psurface_list)):
#print "Rotate: \"", self._psurface_list[i].get_label(), "\""
p = self._psurface_list[i]
p = util.point_rotate(p1, p2, p, theta)
self._psurface_list[i].set_x(p.get_x())
self._psurface_list[i].set_y(p.get_y())
self._psurface_list[i].set_z(p.get_z())
#print "Rotate: \"", self._psurface_list[i].get_label(), "\""
self.__compute_triangles()
self.__compute_plane()
def return_rototransl_xyz(nanop, xlist, ylist, zlist):
xlistnew = []
ylistnew = []
zlistnew = []
for i in range(len(xlist)):
xlistnew.append(xlist[i])
ylistnew.append(ylist[i])
zlistnew.append(zlist[i])
xcn, ycn, zcn = nanop.get_center()
for i in range(len(xlist)):
xlistnew[i] = xlistnew[i] + xcn
ylistnew[i] = ylistnew[i] + ycn
zlistnew[i] = zlistnew[i] + zcn
theta =nanop.get_theta()
p2 = nanop.get_p2()
p1 = point.point(xcn, ycn, zcn)
for i in range(len(xlist)):
p0 = point.point(xlistnew[i], ylistnew[i], zlistnew[i])
p0 = util.point_rotate(p1, p2, p0, theta)
xlistnew[i] = p0.get_x()
ylistnew[i] = p0.get_y()
zlistnew[i] = p0.get_z()
return xlistnew, ylistnew, zlistnew
def _rotate_point (self, p1, point1, angle):
point2 = point.point(self._cx, self._cy, self._cz)
p0 = point.point(p1[0], p1[1], p1[2])
p0 = util.point_rotate(point2, point1, p0, angle)
return [p0.get_x(), p0.get_y(), p0.get_z()]
def rotate_as_possible(s, p0, p1, near_spheres, numbertostop):
touching_spheres_now = []
dtetha = common.dtetha_start
tetha = 0.0
c = s.get_center()
radius = s.get_radius()
lowest_c = c
while tetha < (2.0 * math.pi):
tetha += dtetha
c_start = c
c = util.point_rotate(p0, p1, c, tetha)
s.set_center(c)
#if (((c.get_z() - radius) < common.botz) or
# ((c.get_z() + radius) > common.topz) or \
# ((c.get_x() - radius) < common.botx) or
# ((c.get_x() + radius) > common.topx) or \
# ((c.get_y() - radius) < common.boty) or
# ((c.get_y() + radius) > common.topy)):
# dtetha = dtetha/10.0
# if dtetha <= common.min_dtetha:
# if (c.get_z() < lowest_c.get_z()):
# lowest_c = c
# break
# else:
# c = c_start
touching_spheres_now = touched_other_sphere(near_spheres, s)
if (len(touching_spheres_now) >= numbertostop):
dtetha = dtetha / 10.0
if dtetha <= common.min_dtetha:
if (c.get_z() < lowest_c.get_z()):
lowest_c = c
break
else:
c = c_start
s.set_center(c)
if (c.get_z() < lowest_c.get_z()):
lowest_c = c
if (lowest_c.get_z() < c.get_z()):
c = lowest_c
s.set_center(c)
return touching_spheres_now
def rototranslate_traps(intraps, cx, cy, cz, p1, p2, tetha, npid):
trap_centerx = numpy.mean([t.get_x() for t in intraps])
trap_centery = numpy.mean([t.get_y() for t in intraps])
trap_centerz = numpy.mean([t.get_z() for t in intraps])
distx = trap_centerx - cx
disty = trap_centery - cy
distz = trap_centerz - cz
vals = [point.point(t.get_x()-distx, t.get_y()-disty, \
t.get_z()-distz) for t in intraps]
rotvals = [util.point_rotate(p1, p2, p, tetha) for p in vals]
rettraps = [traps.trap(p.get_x(), p.get_y(), p.get_z()) \
for p in rotvals]
# should be Vectorized
for i in range(len(rettraps)):
rettraps[i].set_id(intraps[i].get_id())
rettraps[i].set_npid(npid)
rettraps[i].set_atomid(intraps[i].get_atomid())
return rettraps
ylistnew = []
zlistnew = []
for i in range(len(xlist)):
xlistnew.append(xlist[i])
ylistnew.append(ylist[i])
zlistnew.append(zlist[i])
for i in range(len(xlist)):
xlistnew[i] = xlistnew[i] + xcn
ylistnew[i] = ylistnew[i] + ycn
zlistnew[i] = zlistnew[i] + zcn
xcn2 = float(plist[6])
ycn2 = float(plist[7])
zcn2 = float(plist[8])
theta = float(plist[9])
p2 = point.point(xcn2, ycn2, zcn2)
p1 = point.point(xcn, ycn, zcn)
for i in range(len(xlist)):
p0 = point.point(xlistnew[i], ylistnew[i], zlistnew[i])
p0 = util.point_rotate(p1, p2, p0, theta)
xlistnew[i] = p0.get_x()
ylistnew[i] = p0.get_y()
zlistnew[i] = p0.get_z()
for i in range(len(xlist)):
print atoms[i], " ", xlistnew[i], " ", ylistnew[i], " ", zlistnew[i]