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//package nt;
import java.util.logging.*;
public class W1
{
/* -------- Logging for errors, warnings, and info -------- */
protected static Logger logger = Logger.getLogger("mylogger");
static {
logger.setLevel(Level.WARNING);
}
protected static void logLevel(String str) {
if ("info".equals(str))
logger.setLevel(Level.INFO);
else if ("off".equals(str))
logger.setLevel(Level.OFF);
else
logger.setLevel(Level.WARNING);
}
/* ---------------------- */
public static final int HYDROGEN = 1;
public static final int NITROGEN = 7;
protected MoleculaT molecule;
protected W1() {
// the constructor inherited by W2 and others
}
/*
* (a, b) - nanotube chirality
* c - nanotube length in angstroms
* terminator - an element number for terminating atoms, ignored if not HYDROGEN or NITROGEN
*/
public W1(int a, int b, double c, int terminator) {
molecule = new MoleculaT ();
molecule.vaciar (); // vaciar --> empty/clear: remove all atoms and bonds
Nanotubo NT = new Nanotubo (a, b);
// estimated number of atoms
// int guess = (int) (NT.radio () * 2 * Math.PI * c * 0.34);
// In the original code, this was used as a basis to not compute structures that were
// too big. I think the reason for not doing them was that they took too long with
// bond enumeration as an order-N-squared operation.
double x, xc, y, yc, z, zc;
for (int i = 1; i * NT.deltaz () <= c; i++) {
for (int j = 1; j <= NT.d (); j++) {
x = NT.deltaz () * i;
xc = NT.deltaz () * i + NT.deltazc ();
y = NT.radio () * (float) Math.sin (NT.deltaphi () * i +
2 * (float) Math.PI / NT.d () * j);
yc = NT.radio () * (float) Math.sin (NT.deltaphi () * i +
NT.deltaphic () +
2 * (float) Math.PI / NT.d () * j);
z = NT.radio () * (float) Math.cos (NT.deltaphi () * i +
2 * (float) Math.PI / NT.d () * j);
zc = NT.radio () * (float) Math.cos (NT.deltaphi () * i +
NT.deltaphic () +
2 * (float) Math.PI / NT.d () * j);
molecule.addVert (x, y, z, 6);
molecule.addVert (xc, yc, zc, 6);
}
}
finish(terminator);
}
protected void finish(int terminator) {
molecule.centrar ();
molecule.ponconec ();
if (terminator == HYDROGEN) {
molecule.cierraH ();
molecule.ponconec ();
} else if (terminator == NITROGEN) {
molecule.cierraN ();
molecule.ponconec ();
}
}
public String pdb() {
return molecule.pdb();
}
public String mmp() {
return molecule.mmp();
}
public static void main(String[] argv) {
int a, b, terminator;
double c;
a = Integer.parseInt(argv[0]);
b = Integer.parseInt(argv[1]);
c = Double.parseDouble(argv[2]);
terminator = Integer.parseInt(argv[3]);
W1 w1 = new W1(a, b, c, terminator);
System.out.println(w1.mmp());
// System.out.println(w1.pdb());
}
}
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