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@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));
}
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