UpperBoundCalculator (Marvin API documentation (c) 1998-2023 Chemaxon Ltd.)

All Known Implementing Classes:

FastUpperBoundCalculator, StandardUpperBoundCalculator
```
@PublicAPI
public interface UpperBoundCalculator
```
An interface for providing upper bound calculation for MaxCommonSubstructure (MCS) search.
Warning: Upper bound calculators do not perform any transformation on the input molecules, thus you should be aware of aromatization (and other standardization actions) before using them.

Method Summary

All Methods Instance Methods Abstract Methods
Modifier and Type	Method	Description
`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.

- Method Detail
  - calculate
```
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. Matching atoms and bonds is done based on the specified search options.
    
    Parameters:
    
    query - the query molecule
    
    target - the target molecule
    
    searchOpts - the options of the MCS search
    
    Returns:
    
    an upper bound on the number of bonds of the MCS