public interface IChemModel extends IChemObject
Modifier and Type | Method and Description |
---|---|
ICrystal |
getCrystal()
Gets the Crystal contained in this ChemModel.
|
IAtomContainerSet |
getMoleculeSet()
Returns the IAtomContainerSet of this ChemModel.
|
IReactionSet |
getReactionSet()
Gets the ReactionSet contained in this ChemModel.
|
IRingSet |
getRingSet()
Returns the RingSet of this ChemModel.
|
boolean |
isEmpty()
Returns true if this ChemModel is empty.
|
void |
setCrystal(ICrystal crystal)
Sets the Crystal contained in this ChemModel.
|
void |
setMoleculeSet(IAtomContainerSet setOfMolecules)
Sets the IAtomContainerSet of this ChemModel.
|
void |
setReactionSet(IReactionSet sor)
Sets the ReactionSet contained in this ChemModel.
|
void |
setRingSet(IRingSet ringSet)
Sets the RingSet of this ChemModel.
|
addListener, addProperties, clone, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString
getBuilder
IAtomContainerSet getMoleculeSet()
IAtomContainerSet
of this ChemModelsetMoleculeSet(org.openscience.cdk.interfaces.IAtomContainerSet)
void setMoleculeSet(IAtomContainerSet setOfMolecules)
setOfMolecules
- the content of this modelgetMoleculeSet()
IRingSet getRingSet()
setRingSet(org.openscience.cdk.interfaces.IRingSet)
void setRingSet(IRingSet ringSet)
ringSet
- the content of this modelgetRingSet()
ICrystal getCrystal()
setCrystal(org.openscience.cdk.interfaces.ICrystal)
void setCrystal(ICrystal crystal)
crystal
- the Crystal to store in this modelgetCrystal()
IReactionSet getReactionSet()
setReactionSet(org.openscience.cdk.interfaces.IReactionSet)
void setReactionSet(IReactionSet sor)
sor
- the ReactionSet to store in this modelgetReactionSet()
boolean isEmpty()
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