public class RecursiveSmartsAtom extends SMARTSAtom
IAtomType.Hybridization
exactMass, naturalAbundance
Constructor and Description |
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RecursiveSmartsAtom(IQueryAtomContainer query)
Creates a new instance
|
Modifier and Type | Method and Description |
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IAtomContainer |
getAtomContainer() |
IQueryAtomContainer |
getRecursiveQuery() |
boolean |
matches(IAtom atom)
Returns true of the given
atom matches this IQueryAtom. |
void |
setAtomContainer(IAtomContainer atomContainer) |
void |
setRecursiveQuery(IQueryAtomContainer query) |
clone, getLabel, setLabel, setStereoParity, toString
compare, getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setPoint2d, setPoint3d
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
addListener, getBuilder, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopy
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait
getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setPoint2d, setPoint3d, setStereoParity
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
addListener, clone, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString
getBuilder
public RecursiveSmartsAtom(IQueryAtomContainer query)
query
- public boolean matches(IAtom atom)
IQueryAtom
atom
matches this IQueryAtom.matches
in interface IQueryAtom
matches
in class SMARTSAtom
atom
- IAtom to match againstpublic IQueryAtomContainer getRecursiveQuery()
public void setRecursiveQuery(IQueryAtomContainer query)
public IAtomContainer getAtomContainer()
public void setAtomContainer(IAtomContainer atomContainer)