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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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