public class Expander extends Object
Constructor and Description |
---|
Expander() |
Modifier and Type | Method and Description |
---|---|
List<org.openscience.cdk.interfaces.IAtom> |
expandDictionaryAtom(SLNAtom at) |
List<org.openscience.cdk.interfaces.IAtom> |
expandMacroAtomDictionaryObject(MacroAtomDictionaryObject maDO) |
SLNContainer |
generateExpandedSLNContainer(SLNContainer container) |
List<SLNContainer> |
generateMarkushCombinatorialList(SLNContainer container) |
List<SLNAtom> |
getDictionaryAtoms() |
SLNContainer |
getExpandedSLNContainer() |
List<SLNAtom> |
getMarkushAtoms() |
int |
getMaxNumberOfCombinations() |
void |
handleAtom(org.openscience.cdk.interfaces.IAtom atom) |
void |
handleBond(org.openscience.cdk.interfaces.IBond bond) |
void |
setMaxNumberOfCombinations(int maxNumberOfCombinations) |
public int getMaxNumberOfCombinations()
public void setMaxNumberOfCombinations(int maxNumberOfCombinations)
public List<SLNContainer> generateMarkushCombinatorialList(SLNContainer container)
public SLNContainer generateExpandedSLNContainer(SLNContainer container)
public SLNContainer getExpandedSLNContainer()
public void handleAtom(org.openscience.cdk.interfaces.IAtom atom)
public void handleBond(org.openscience.cdk.interfaces.IBond bond)
public List<org.openscience.cdk.interfaces.IAtom> expandDictionaryAtom(SLNAtom at)
public List<org.openscience.cdk.interfaces.IAtom> expandMacroAtomDictionaryObject(MacroAtomDictionaryObject maDO)
Copyright © 2004–2021 Ideaconsult Ltd.. All rights reserved.