@TestMethod("testCalculate_IAtomContainer")
public DescriptorValue calculate(IAtomContainer container) {
int counter;
Molecule molecule;
try {
molecule = (Molecule) container.clone();
} catch (CloneNotSupportedException e) {
logger.debug("Error during clone");
return getDummyDescriptorValue(new CDKException("Error occured during clone " + e));
}
It assumes all input is a Molecule, which is most certainly not the case.
Patch supplied at https://sourceforge.net/tracker/?func=detail&aid=3305668&group_id=20024&atid=320024
Patch was applied.