Searched refs:setOfFragments (Results 1 – 1 of 1) sorted by relevance
41 IAtomContainer[] setOfFragments = gf.getFrameworksAsContainers(); in test1FragmentComplexityDescriptor() local42 for (int i = 0; i < setOfFragments.length; i++) { in test1FragmentComplexityDescriptor()43 addExplicitHydrogens(setOfFragments[i]); in test1FragmentComplexityDescriptor()44 … Complexity = ((DoubleResult) descriptor.calculate(setOfFragments[i]).getValue()).doubleValue(); in test1FragmentComplexityDescriptor()60 IAtomContainer[] setOfFragments = gf.getFrameworksAsContainers(); in test2FragmentComplexityDescriptor() local61 for (IAtomContainer setOfFragment : setOfFragments) { in test2FragmentComplexityDescriptor()