def rotate_nanop(nanop, tetha, p2):
pcx, pcy, pcz = nanop.get_center()
A, B, H = nanop.get_dimensions()
p1 = point.point(pcx, pcy, pcz)
nanoparticle.POINTINSURFACESTEP = 1.0
newnanop = nanoparticle.nanotio2(pcx, pcy, pcz, A, B, H)
newnanop.rotate_nanoparticle(p1, p2, tetha)
nanoparticle.POINTINSURFACESTEP = float('inf')
return newnanop
# (boty >= topy):
# print "Error Invalid BOX"
# exit()
for i in range(len(scx)):
cx = scx[i]
cy = scy[i]
cz = scz[i]
H = 28.99
B = 23.56
A = 14.44
# ruota la nanoparticella random
p1 = point.point(cx, cy, cz)
p2x = random.uniform(botx, topx)
p2y = random.uniform(boty, topy)
p2z = random.uniform(botz, topz)
tetha = random.uniform(0.0, 2.0 * math.pi)
n = nanoparticle.nanotio2(cx, cy, cz, A, B, H)
print >> sys.stderr, "Ratio: ", (H / 2.0) / B
print >> sys.stderr, "Sphere volume: ", spheres[i].get_volume(), \
"Nanoparticle: ", n.get_volume(), " [", \
math.fabs(spheres[i].get_volume() - n.get_volume()), "] "
print cx, cy, cz, A, B, H, p2x, \
p2y, p2z, tetha
print "Doing ", selectedid + 1, " of ", len(nanoparticles)
nanop_selected = nanoparticles[selectedid]
if (not nanop_selected.get_fixed()):
pcx, pcy, pcz = nanop_selected.get_center()
A, B, H = nanop_selected.get_dimensions()
dm = max(B, A, H) / 2.0
# devo generare per questa nanoparticella punti in superficie e dentro
nanoparticle.POINTINSURFACESTEP = 1.0
p1, p2, tetha = nanop_selected.get_rotation_info()
nanop = nanoparticle.nanotio2(pcx, pcy, pcz, A, B, H)
# non ruoto altrimenti perdo il riferimento visto che ogni volta voglio
# ripartire dalla sfera dritta
#nanop.rotate_nanoparticle(p1, p2, tetha)
nanoparticle.POINTINSURFACESTEP = float('inf')
nearnanop, neardst = nanoparticle.get_near_nanoparticle_set_fixed ( \
nanoparticles, pcx, pcy, pcz, (2.0 * nanop.get_max_sphere()))
print "Selected ", len(neardst), " nanoparticles "
maxdiff = 1.0
# anche 2 vale la pena provare fino a 1000 ho visto casi in
# cui si arriva ad una diff di 2 e poco piu'
mapper = vtk.vtkPolyDataMapper()
if vtk.VTK_MAJOR_VERSION <= 5:
mapper.SetInput(source.GetOutput())
else:
mapper.SetInputConnection(source.GetOutputPort())
actor = vtk.vtkActor()
actor.SetMapper(mapper)
actor.GetProperty().SetColor(get_color(atomname)); #(R,G,B)
actors.append(actor)
filep.close()
nanop = nanoparticle.nanotio2(numpy.mean(xlist), \
numpy.mean(ylist), numpy.mean(zlist), \
14.44, 23.56, 28.99)
sphere = vtk.vtkSphereSource()
sphere.SetCenter(numpy.mean(xlist), \
numpy.mean(ylist), numpy.mean(zlist))
sphere.SetRadius(float(28.99/2.12393441488750937510))
mapper = vtk.vtkPolyDataMapper()
if vtk.VTK_MAJOR_VERSION <= 5:
mapper.SetInput(sphere.GetOutput())
else:
mapper.SetInputConnection(sphere.GetOutputPort())
actor = vtk.vtkActor()
actor.SetMapper(mapper)
