When I use class RuleOfFiveDescriptor to describe a molecule, I always get
a value of 0 in Weight.
I get the source code, and see the code below in RuleOfFiveDescriptor:
IMolecularDescriptor mw = new WeightDescriptor();
Object[] mwparams = {new String("")};
mw.setParameters(mwparams);
double mwvalue =
((DoubleResult)mw.calculate(mol).getValue()).doubleValue();
I wonder wheather it is correct to set the parameter as new String("").
With beast
regards.
Jimmy
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