public class VicinitySampler extends Object
Constructor and Description |
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VicinitySampler() |
Modifier and Type | Method and Description |
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static List<IAtomContainer> |
sample(IAtomContainer ac)
Choose any possible quadruple of the set of atoms
in ac and establish all of the possible bonding schemes according to
Faulon's equations.
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public static List<IAtomContainer> sample(IAtomContainer ac)
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