@ Override public String [ ] getFragments ( ) { List < String > allfrags = new ArrayList < String > ( ) ; allfrags . addAll ( getSmilesFromAtomContainers ( frameMap . values ( ) ) ) ; allfrags . addAll ( getSmilesFromAtomContainers ( ringMap . values ( ) ) ) ; return allfrags . toArray ( new String [ ] { } ) ; }
This returns the frameworks and ring systems from a Murcko fragmentation .