Exemplo n.º 1
0
  private Molecule createXylene() {
    Molecule result = Molecules.createCyclohexane();
    result.getBond(result.getAtom(0), result.getAtom(1)).setType(2);
    result.getBond(result.getAtom(2), result.getAtom(3)).setType(2);
    result.getBond(result.getAtom(4), result.getAtom(5)).setType(2);

    result.connect(result.getAtom(0), result.addAtom("C"), 1);
    result.connect(result.getAtom(5), result.addAtom("C"), 1);

    return result;
  }
Exemplo n.º 2
0
  private Molecule createEthyne() {
    Molecule result = createEthene();
    result.getBond(0).setType(3);

    return result;
  }