@Test public void testOutput() throws Exception { StringWriter writer = new StringWriter(); IAtomContainer molecule = new AtomContainer(); Atom atom = new Atom("C"); atom.setMassNumber(14); molecule.addAtom(atom); CDKSourceCodeWriter sourceWriter = new CDKSourceCodeWriter(writer); sourceWriter.write(molecule); sourceWriter.close(); String output = writer.toString(); String newline = "\n"; assertThat(output, is("{" + newline + " IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();" + newline + " IAtomContainer mol = builder.newInstance(IAtomContainer.class);" + newline + " IAtom a1 = builder.newInstance(IAtom.class,\"C\");" + newline + " a1.setFormalCharge(0);" + newline + " mol.addAtom(a1);" + newline + "}" + newline)); } }