com.chemaxon.clustering.framework

Class RemoveSidechainsSc

java.lang.Object

com.chemaxon.clustering.framework.RemoveSidechainsSc

All Implemented Interfaces:

StandardizerWrapper, Serializable

public final class RemoveSidechainsSc
extends Object
implements StandardizerWrapper

Remove side chains of the structure. Use com.chemaxon.calculations.sc based utilities. All side chains (including exocyclic/exolinker double bonds) are removed with the option of keeping unsaturated connected atoms. Acyclic fragments are reduced to a single carbon atom. Empty structures are considered invalid.

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor and Description
RemoveSidechainsSc(boolean keepUnsaturatedConnections) Construct.

Method Summary

Modifier and Type	Method and Description
StandardizerWrapper	and(StandardizerWrapper w) Create a new wrapper representing an additional step.
void	standardize(Molecule bmf) Invoke represented transformation.
String	toString()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Detail

RemoveSidechainsSc

public RemoveSidechainsSc(boolean keepUnsaturatedConnections)

Construct.

Parameters:

keepUnsaturatedConnections - Keep acyclic atoms immediately connected to rings having non-single bonds.

Method Detail

standardize

public void standardize(Molecule bmf)

Description copied from interface: StandardizerWrapper

Invoke represented transformation.

Specified by:

standardize in interface StandardizerWrapper

Parameters:

bmf - Molecule to modify.

toString

public String toString()

Overrides:

toString in class Object

and

public StandardizerWrapper and(StandardizerWrapper w)

Description copied from interface: StandardizerWrapper

Create a new wrapper representing an additional step.

Specified by:

and in interface StandardizerWrapper

Parameters:

w - Further step to represent

Returns:

New instance