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// Copyright 2006-2007 Nanorex, Inc. See LICENSE file for details.
/* $Id$ */
#include <math.h>
#include "Nanotubo.h"
int primos[] = { 1, 2, 3, 5, 7, 11, 13, 17, 19, 23, 29, 31, 37, 41, 43, 47,
53, 59, 61, 67, 71, 73, 79, 83, 89, 97, 1 };
Nanotubo::Nanotubo (int I, int J)
{
i1 = I;
i2 = J;
ordenmin = 1; // orden --> order
_d = 1;
A = 2.46;
int nn = i1, mm = i2;
altura = new double[100];
phi = new double[100];
// find common factors between nn and mm, move them to d
for (int i = 1; i <= 25; i++) {
for (int j = 1; ((nn % primos[i]) == 0)
&& ((mm % primos[i]) == 0); j++) {
nn = nn / primos[i];
mm = mm / primos[i];
_d = _d * primos[i];
}}
deltaz1 = A * sin (M_PI / 3 - quiral ());
deltaz2 = A * sin (quiral ()); //esto, al estar bajo Q, es positivo cuando deberia ser negativo! OJO a esto!
// this, when being under Q, is positive when it would have to be negative! WATCH this!
deltaphi1 = A / radio () * cos (M_PI / 3 - quiral ());
deltaphi2 = A / radio () * cos (quiral ());
altura[1] = deltaz1;
phi[1] = deltaphi1;
for (int i = 2; i <= (i1 + i2) / _d; i++) {
if (altura[i - 1] < 0) {
altura[i] = altura[i - 1] + deltaz1;
phi[i] = phi[i - 1] + deltaphi1;
} else {
altura[i] = altura[i - 1] - deltaz2;
phi[i] = phi[i - 1] + deltaphi2;
}
if ((altura[i] < altura[ordenmin]) == (altura[i] > 0.0001))
ordenmin = i;
}
}
Nanotubo::Nanotubo (int I, int J, double aalt)
{
A = aalt;
i1 = I;
i2 = J;
ordenmin = 1;
_d = 1;
A = 2.46;
int nn = i1, mm = i2;
altura = new double[100];
phi = new double[100];
for (int i = 1; i <= 25; i++) {
for (int j = 1; ((nn % primos[i]) == 0)
&& ((mm % primos[i]) == 0); j++) {
nn = nn / primos[i];
mm = mm / primos[i];
_d = _d * primos[i];
}}
deltaz1 = A * sin (M_PI / 3 - quiral ());
deltaz2 = A * sin (quiral ());
deltaphi1 = A / radio () * cos (M_PI / 3 - quiral ());
deltaphi2 = A / radio () * cos (quiral ());
altura[1] = deltaz1;
phi[1] = deltaphi1;
for (int i = 2; i <= (i1 + i2) / _d; i++) {
if (altura[i - 1] < 0) {
altura[i] = altura[i - 1] + deltaz1;
phi[i] = phi[i - 1] + deltaphi1;
} else {
altura[i] = altura[i - 1] - deltaz2;
phi[i] = phi[i - 1] + deltaphi2;
}
if ((altura[i] < altura[ordenmin]) == (altura[i] > 0.0001))
ordenmin = i;
}
}
double Nanotubo::deltaz ()
{
return altura[ordenmin];
}
double Nanotubo::deltaphi ()
{
return phi[ordenmin];
}
double Nanotubo::radio ()
{
return A * sqrt (i1 * i1 + i2 * i2 + i2 * i1) / (2 * M_PI);
}
double Nanotubo::quiral ()
{
double ang = atan (sqrt (3) * i2 / (2 * i1 + i2));
if (2 * i1 + i2 < 0)
ang += (M_PI);
return ang;
}
double Nanotubo::quiralg ()
{
return quiral () * (180.0 / M_PI);
}
double Nanotubo::deltazc ()
{
return A / sqrt (3) * cos (quiral ());
}
double Nanotubo::deltaphic ()
{
return A / sqrt (3) / radio () * sin (quiral ());
}
int Nanotubo::d ()
{
return _d;
}
double Nanotubo::energia (double momm, double momz)
{
double numfase = sin (momz * deltaz1 + momm * deltaphi1) +
sin (momz * (deltaz1 + deltaz2) + momm * (deltaphi1 - deltaphi2));
double denfase = 1 + cos (momz * deltaz1 + momm * deltaphi1) +
cos (momz * (deltaz1 + deltaz2) + momm * (deltaphi1 - deltaphi2));
double energ = sqrt (numfase * numfase + denfase * denfase);
return energ;
}
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