org.openscience.cdk.tools.manipulator

Class SgroupManipulator

java.lang.Object

org.openscience.cdk.tools.manipulator.SgroupManipulator

public final class SgroupManipulator
extends Object

Utilities related to Ctab Sgroups.

Method Summary

Modifier and Type	Method and Description
static List<Sgroup>	copy(Collection<Sgroup> sgroups, Map<? extends IChemObject,? extends IChemObject> replace) Copy a collection of Sgroups, replacing any IAtom/IBond references with those present in the provided 'replace' map.

Methods inherited from class java.lang.Object

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

Method Detail

copy

public static List<Sgroup> copy(Collection<Sgroup> sgroups,
                                Map<? extends IChemObject,? extends IChemObject> replace)

Copy a collection of Sgroups, replacing any IAtom/IBond references with those present in the provided 'replace' map. If an empty replace map is provided (null or empty) the sgroups are simply duplicated. If an item is not present in the replacement map the original item is preserved.

 Map<IChemObject,IChemObject> replace = new HashMap<>();
 replace.put(orgAtom, newAtom);
 replace.put(orgBond, newBond);
 newSgroups = copy(orgSgroups, replace);
 

Parameters:

sgroups - collection of sgroups, can be null

replace - the replacement map, can be null

Returns:

list of copied sgroups, null if sgroups input was null