@PublicAPI public final class FastUpperBoundCalculator extends java.lang.Object implements UpperBoundCalculator
Constructor and Description |
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FastUpperBoundCalculator() |
Modifier and Type | Method and Description |
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int |
calculate(Molecule query,
Molecule target,
McsSearchOptions searchOpts)
Returns an upper bound for the number of bonds the Maximum Common Substructure
of the given molecules may contain.
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public int calculate(Molecule query, Molecule target, McsSearchOptions searchOpts)
UpperBoundCalculator
calculate
in interface UpperBoundCalculator
query
- the query moleculetarget
- the target moleculesearchOpts
- the options of the MCS search