private Molecule createCyclooctane() {
Molecule result = createOctane();
result.connect(result.getAtom(0), result.getAtom(7), 1);
return result;
}
private Molecule createEthene() {
Molecule result = new DefaultMolecule();
result.connect(result.addAtom("C"), result.addAtom("C"), 2);
return result;
}
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;
}
private Molecule createOctane() {
Molecule result = new DefaultMolecule();
Atom first = result.addAtom("C");
for (int i = 0; i < 7; i++) {
Atom next = result.addAtom("C");
result.connect(first, next, 1);
first = next;
}
return result;
}