BuildupMcs (JChem Base API documentation (c) 1998-2023 Chemaxon Ltd.)

java.lang.Object
- com.chemaxon.search.mcs.MaxCommonSubstructure
- - com.chemaxon.search.mcs.buildup.BuildupMcs

All Implemented Interfaces:

chemaxon.license.Licensable
```
@PublicAPI
public final class BuildupMcs
extends MaxCommonSubstructure
```
Implements a heuristic MCS algorithm using the build-up method of Takeshi Kawabata.
For more information and the public API, see the base class MaxCommonSubstructure.

Field Summary
- Fields inherited from class com.chemaxon.search.mcs.MaxCommonSubstructure
  DEFAULT_RANDOM_SEED, LOG, queryMol, randomSeed, searchMode, searchOpts, targetMol, timeLimit

Constructor Summary

Constructors
Constructor Description

BuildupMcs(McsSearchOptions searchOpts)
Creates a new BuildupMcs object with the given search options.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`McsSearchResult`	`findMcs(com.chemaxon.search.sss.Matcher matcher)`	Performs an approximate calculation of the maximal common edge subgraph of the two input molecules.
`int`	`getTopologyConstraint()`	Gets the the maximum difference in topology the mapped part of the molecules can have.
`void`	`setTopologyConstraint(int t)`	Sets the the maximum difference in topology the mapped part of the molecules can have.

Methods inherited from class com.chemaxon.search.mcs.MaxCommonSubstructure
calculateSimilarityUpperBound, calculateUpperBound, find, getQuery, getRandomSeed, getSearchMode, getSearchOptions, getTarget, getTimeLimit, hasNextResult, isLicensed, newInstance, newInstance, nextResult, setLicenseEnvironment, setMolecules, setQuery, setRandomSeed, setSearchMode, setTarget, setTimeLimit

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - BuildupMcs
```
public BuildupMcs(McsSearchOptions searchOpts)
```
    Creates a new BuildupMcs object with the given search options.
    
    Parameters:
    
    searchOpts - the search options
- Method Detail
  - setTopologyConstraint
```
public void setTopologyConstraint(int t)
```
    Sets the the maximum difference in topology the mapped part of the molecules can have.
    
    Parameters:
    
    t - the topology constraint.
  - getTopologyConstraint
```
public int getTopologyConstraint()
```
    Gets the the maximum difference in topology the mapped part of the molecules can have.
    
    Returns:
    
    the topology constraint.
  - findMcs
```
public McsSearchResult findMcs(com.chemaxon.search.sss.Matcher matcher)
```
    Performs an approximate calculation of the maximal common edge subgraph of the two input molecules.
    
    Specified by:
    
    findMcs in class MaxCommonSubstructure
    
    Parameters:
    
    matcher - the matcher object containing the query and target molecules.
    
    Returns:
    
    the result of the search.