public interface IFragmenter
Modifier and Type | Method and Description |
---|---|
void |
generateFragments(IAtomContainer atomContainer)
Generate fragments for the input molecule.
|
String[] |
getFragments()
Get the fragments generated as SMILES strings.
|
IAtomContainer[] |
getFragmentsAsContainers()
Get fragments generated as
IAtomContainer objects. |
void generateFragments(IAtomContainer atomContainer) throws CDKException
atomContainer
- The input moleculeCDKException
- if ring detection failsString[] getFragments()
IAtomContainer[] getFragmentsAsContainers()
IAtomContainer
objects.Copyright © 2018. All Rights Reserved.