xlist2 = xlist[len(xlist) / 2:]
ylist2 = ylist[len(ylist) / 2:]
zlist2 = zlist[len(zlist) / 2:]
atoms2 = atoms[len(atoms) / 2:]

if len(nanaparticles) != 2:
    print "Only two nanoparticles can be used"
    exit(1)

DITS1 = 2.6
DIST2 = 12.6

nanop1 = nanaparticles[0]
ptop, pbot = nanop1.get_ptop_and_bottom()
l1 = line.line3d()
l1.set_two_point(ptop, pbot)
p1, p2, p3, p4 = nanop1.get_middle_points()
mdplane = plane.plane(p1, p2, p3)

group1_np1 = []
group2_np1 = []
group3_np1 = []
allnp1 = []

for i in range(len(xlist1)):
    p = point.point(xlist1[i], ylist1[i], zlist1[i])

    dist = mdplane.get_distance(p) * mdplane.check_point_side(p)
    if dist < DITS1:
        group1_np1.append((p.get_x(), p.get_y(), p.get_z()))
Exemplo n.º 2
0
    exit(1)

nanoparticles = []

botx, topx, boty, topy, botz, topz = \
    nanoparticle.file_to_nanoparticle_list(filename, nanoparticles)

if (botx >= topx) or (boty >= topy) or \
   (boty >= topy):
    print "Error Invalid BOX"
    exit()

minbox_x = 100000.0
maxbox_x = -100000.0
minbox_y = 100000.0
maxbox_y = -100000.0
minbox_z = 100000.0
maxbox_z = -100000.0

if len(nanoparticles) != 2:
    print "Error "
    exit(1)

p1top, p1bottom = nanoparticles[0].get_ptop_and_bottom()
p2top, p2bottom = nanoparticles[1].get_ptop_and_bottom()

l3d = line.line3d()
angle = l3d.get_angle_two_line(p1top, p1bottom, p2top, p2bottom)

print angle
Exemplo n.º 3
0
def generate_point_inside_poly(p1, p2, p3, p4, step, psurface_list, label):

  polypoint = []
  polypoint.append(p1)
  polypoint.append(p2)
  polypoint.append(p3)
  polypoint.append(p4)

  # i 4 punti devono essere ordinati oraio o antiorario e' indifferente 
  # calcolo il lato piu' lungo 

  d = []

  d.append(p1.get_distance_from(p2))
  d.append(p2.get_distance_from(p3))
  d.append(p3.get_distance_from(p4))
  d.append(p4.get_distance_from(p1))
  
  idx = 0
  for i in range(1,4):
    if (d[i] > d[i-1]):
      idx = i

  #print "Max: ", d[idx]
  
  # forse meglio indicare lo step cosi' da avere uniformita' di punti
  numofp = int(d[idx] / step)
  if (numofp == 0):
    print >> sys.stderr, "Step too big ", d[idx] , " and ", step
    return

  B = point.point()
  C = point.point()

  l = line.line3d()
  if idx == 0:
    l.set_two_point(p1, p2)
    B.set_coordinates(p2.get_x(), p2.get_y(), p2.get_z())
    C.set_coordinates(p3.get_x(), p3.get_y(), p3.get_z())
  elif idx == 1:
    l.set_two_point(p2, p3)
    B.set_coordinates(p3.get_x(), p3.get_y(), p3.get_z())
    C.set_coordinates(p4.get_x(), p4.get_y(), p4.get_z())
  elif idx == 2:
    l.set_two_point(p3, p4)
    B.set_coordinates(p4.get_x(), p4.get_y(), p4.get_z())
    C.set_coordinates(p1.get_x(), p1.get_y(), p1.get_z())
  elif idx == 3:
    l.set_two_point(p4, p1)
    B.set_coordinates(p1.get_x(), p1.get_y(), p1.get_z())
    C.set_coordinates(p2.get_x(), p2.get_y(), p2.get_z())

  # questi punti li genero lungo il lato piu' lungo 
  plist = l.generate_equi_point(numofp)
  for p in plist: 
    p.set_label(label)      
    psurface_list.append(p)
    #print psurface_list[-1].get_label()


  # http://www.youtube.com/watch?v=HmMJGcHV9Oc
  # equazione vettoriale del piano
  #
  # --   --       --       --  
  # OP = OA + a * AB + b * BC
  #
  # dove O origine P punto che voglio e A B C li definisco
  # a seconda del segmento che ho preso sopra
  #
  #  A---------------------B
  #                        |
  #                        |
  #                        |
  #                        C
  # mi muovo lungo BC step by step
  # posso usare sempre le rette cambio nella line3d il valore di a
  # e di b quindi A diventa ogni volta il punto in plist, e b diventa
  # il vettore paralleloa BC, dovrebbe bastare appunto BC.

  lBC = line.line3d()
  lBC.set_b(C-B)
  for p in plist:
    lBC.set_a(p)
    plistBC = lBC.generate_equi_point(numofp)
    for pBC in plistBC:
      diff = math.fabs(angle_sum_poly(polypoint, pBC) - TWOPI)
      if (diff < 1e-10):
        pBC.set_label(label)
        psurface_list.append(pBC)
        #print psurface_list[-1].get_label()

  return