deslocado.py

#!/usr/bin/python

import numpy as np
from scipy.linalg import norm

def read_vector(nome):
	p = np.zeros(3)

	for i in range(3):
		p[i] = float(raw_input("%s_%d = " % (nome, i)))

	return p

print "Lendo centroides..."
p = read_vector("P")
print
q = read_vector("Q")

print
print "Lendo 3 carbonos do anel de baixo..."
c = read_vector("C")
print
d = read_vector("D")
print
e = read_vector("E")

print
print "Vetores lidos..."
print "P = ", p
print "Q = ", q
print "C = ", c
print "D = ", d
print "E = ", e

print
print "Calculando..."

pq = p - q  # entre centroides

v1 = c - d  # d carbono central
v2 = e - d

pren = np.cross(v1, v2)
n = pren/norm(pren)  # normal

pq_norm = norm(pq)  # norma de PQ
pq_n = np.inner(pq, n)  # proj. de PQ na normal

w = np.sqrt(pq_norm**2 - pq_n**2)

print
print "Resultados parciais..."
print "PQ = ", pq
print "||PQ|| = ", pq_norm
print
print "v1 = ", v1
print "v2 = ", v2
print
print "n = ", n
print "PQ.n = ", pq_n

print
print "Resultado final..."
print "w = ", w