public class RingMembershipAtom extends SMARTSAtom
R<NUMBER>. The membership depends on the
ring set used and as such is not a portable term. If the Smallest Set of
Smallest Rings (SSSR) is used then changing the order of atoms
may change which atoms match in a pattern.IAtomType.HybridizationatomicNumber, charge, electronValency, exactMass, formalCharge, formalNeighbourCount, fractionalPoint3d, hybridization, hydrogenCount, naturalAbundance, point2d, point3d, stereoParity, symbol| Constructor and Description |
|---|
RingMembershipAtom(int num,
IChemObjectBuilder builder)
Ring membership query atom.
|
| Modifier and Type | Method and Description |
|---|---|
boolean |
matches(IAtom atom)
Returns true of the given
atom matches this IQueryAtom. |
chiralityMatchesclone, 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, setValencyaddListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setPropertyequals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, waitclone, getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setPoint2d, setPoint3d, setStereoParitygetAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValencygetExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundancegetAtomicNumber, getSymbol, setAtomicNumber, setSymboladdListener, addProperties, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toStringgetBuilderpublic RingMembershipAtom(int num,
IChemObjectBuilder builder)
[!R] however for legacy reasons [R0] was accepted and checks
this atoms belongs to 0 rings.num - number of rings which this atom belongs to, < 0 any ring.public boolean matches(IAtom atom)
atom matches this IQueryAtom.matches in interface IQueryAtommatches in class SMARTSAtomatom - IAtom to match againstCopyright © 2017. All Rights Reserved.