/** A unit test for JUnit */
@Test
public void testPropylCycloPropane() {
IAtomContainer mol1 = MoleculeFactory.makePropylCycloPropane();
SmilesGenerator sg = new SmilesGenerator();
fixCarbonHCount(mol1);
String smiles1 = null;
if (standAlone) {
display(mol1);
}
try {
smiles1 = sg.createSMILES(mol1);
} catch (Exception exc) {
System.out.println(exc);
if (!standAlone) {
Assert.fail();
}
}
if (standAlone) {
System.err.println("SMILES 1: " + smiles1);
}
Assert.assertNotNull(smiles1);
Assert.assertEquals("CCCC1CC1", smiles1);
}
