public final class TotalRingConnectionAtom extends SMARTSAtom
SMARTSAtomInvariants
. The ring connectivity is encoded in smarts using
x<NUMBER>
.IAtomType.Hybridization
atomicNumber, charge, electronValency, exactMass, formalCharge, formalNeighbourCount, fractionalPoint3d, hybridization, hydrogenCount, naturalAbundance, point2d, point3d, stereoParity, symbol
Constructor and Description |
---|
TotalRingConnectionAtom(int ringConnectivity,
IChemObjectBuilder builder)
Create a matcher for the number of rings an atom belongs to.
|
Modifier and Type | Method and Description |
---|---|
boolean |
matches(IAtom atom)
Returns true of the given
atom matches this IQueryAtom. |
chiralityMatches
clone, getAtomicNumber, getAtomTypeName, getBondOrderSum, getCharge, getCovalentRadius, getExactMass, getFormalCharge, getFormalNeighbourCount, getFractionalPoint3d, getHybridization, getImplicitHydrogenCount, getMassNumber, getMaxBondOrder, getNaturalAbundance, getPoint2d, getPoint3d, getStereoParity, getSymbol, getValency, isAromatic, isInRing, setAtomicNumber, setAtomTypeName, setBondOrderSum, setCharge, setCovalentRadius, setExactMass, setFormalCharge, setFormalNeighbourCount, setFractionalPoint3d, setHybridization, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMassNumber, setMaxBondOrder, setNaturalAbundance, setPoint2d, setPoint3d, setStereoParity, setSymbol, setValency
addListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
clone, getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, 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, addProperties, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString
getBuilder
public TotalRingConnectionAtom(int ringConnectivity, IChemObjectBuilder builder)
ringConnectivity
- number of ring bonds this atom is adjacent topublic boolean matches(IAtom atom)
atom
matches this IQueryAtom.matches
in interface IQueryAtom
matches
in class SMARTSAtom
atom
- IAtom to match againstCopyright © 2017. All Rights Reserved.