Exemple #1
0
  private static Atom calcSimple_H(Atom c, Atom o, Atom n) throws StructureException {

    Atom h = Calc.substract(c, o);
    double dist = Calc.getDistance(o, c);
    // System.out.println(dist);
    double x = n.getX() + h.getX() / dist;
    double y = n.getY() + h.getY() / dist;
    double z = n.getZ() + h.getZ() / dist;

    h.setX(x);
    h.setY(y);
    h.setZ(z);

    h.setName("H");
    h.setFullName(" H  ");
    return h;
  }