Class SymbolSetQueryAtom
java.lang.Object
org.openscience.cdk.isomorphism.matchers.QueryChemObject
org.openscience.cdk.isomorphism.matchers.QueryAtom
org.openscience.cdk.isomorphism.matchers.SymbolSetQueryAtom
- All Implemented Interfaces:
Cloneable,IAtom,IAtomType,ICDKObject,IChemObject,IElement,IIsotope,IQueryAtom
Deprecated.
A QueryAtom that matches all symbols in this container. You may add symbols
to this container. This QueryAtom will only give a match if it contains the
symbol of the Atom to match (example: add "F", "Cl", "Br", "I" to get a
match for the most common halogens).
- Author:
- kha
- See Also:
- Source code:
- main
- Belongs to CDK module:
- isomorphism
- Created on:
- 2004-09-16
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Nested Class Summary
Nested classes/interfaces inherited from interface org.openscience.cdk.interfaces.IAtomType
IAtomType.Hybridization -
Field Summary
Fields inherited from class org.openscience.cdk.isomorphism.matchers.QueryAtom
atomicNumber, charge, electronValency, exactMass, formalCharge, formalNeighbourCount, fractionalPoint3d, hybridization, hydrogenCount, naturalAbundance, point2d, point3d, stereoParity, symbolFields inherited from interface org.openscience.cdk.interfaces.IElement
Ac, Ag, Al, Am, Ar, As, At, Au, B, Ba, Be, Bh, Bi, Bk, Br, C, Ca, Cd, Ce, Cf, Cl, Cm, Cn, Co, Cr, Cs, Cu, Db, Ds, Dy, Er, Es, Eu, F, Fe, Fl, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Lv, Mc, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Nh, Ni, No, Np, O, Og, Os, P, Pa, Pb, Pd, Pm, Po, Pr, Pt, Pu, Ra, Rb, Re, Rf, Rg, Rh, Rn, Ru, S, Sb, Sc, Se, Sg, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, Ts, U, V, W, Wildcard, Xe, Y, Yb, Zn, Zr -
Constructor Summary
ConstructorsConstructorDescriptionSymbolSetQueryAtom(IChemObjectBuilder builder) Deprecated.Constructor for the SymbolSetQueryAtom object -
Method Summary
Modifier and TypeMethodDescriptionvoidDeprecated.Add a symbol to this QueryAtomclone()Deprecated.Returns a deep clone of this IChemObject.Deprecated.Retrieve the Set of symbolsbooleanDeprecated.Check whether a symbol is already registeredbooleanDeprecated.The matches implementation of the QueryAtom interface.voidremoveSymbol(String symbol) Deprecated.Remove a symbol from this QueryAtomvoidsetOperator(String str) Deprecated.toString()Deprecated.The toString methodMethods inherited from class org.openscience.cdk.isomorphism.matchers.QueryAtom
bonds, equals, getAtomicNumber, getAtomTypeName, getBond, getBondCount, getBondOrderSum, getCharge, getContainer, getCovalentRadius, getExactMass, getExpression, getFormalCharge, getFormalNeighbourCount, getFractionalPoint3d, getHybridization, getImplicitHydrogenCount, getIndex, getMapIdx, getMassNumber, getMaxBondOrder, getNaturalAbundance, getPoint2d, getPoint3d, getStereoParity, getSymbol, getValency, hashCode, isAromatic, isInRing, setAtomicNumber, setAtomTypeName, setBondOrderSum, setCharge, setCovalentRadius, setExactMass, setExpression, setFormalCharge, setFormalNeighbourCount, setFractionalPoint3d, setHybridization, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMapIdx, setMassNumber, setMaxBondOrder, setNaturalAbundance, setPoint2d, setPoint3d, setStereoParity, setSymbol, setValencyMethods inherited from class org.openscience.cdk.isomorphism.matchers.QueryChemObject
addListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setPropertyMethods inherited from class java.lang.Object
finalize, getClass, notify, notifyAll, wait, wait, waitMethods inherited from interface org.openscience.cdk.interfaces.IAtom
bonds, getBond, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getMapIdx, getPoint2d, getPoint3d, getStereoParity, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMapIdx, setPoint2d, setPoint3d, setStereoParityMethods inherited from interface org.openscience.cdk.interfaces.IAtomType
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValencyMethods inherited from interface org.openscience.cdk.interfaces.ICDKObject
getBuilderMethods inherited from interface org.openscience.cdk.interfaces.IChemObject
addListener, addProperties, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setPropertyMethods inherited from interface org.openscience.cdk.interfaces.IElement
getAtomicNumber, getSymbol, setAtomicNumber, setSymbolMethods inherited from interface org.openscience.cdk.interfaces.IIsotope
getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance
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Constructor Details
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SymbolSetQueryAtom
Deprecated.Constructor for the SymbolSetQueryAtom object
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Method Details
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setOperator
Deprecated. -
matches
Deprecated.The matches implementation of the QueryAtom interface.- Specified by:
matchesin interfaceIQueryAtom- Overrides:
matchesin classQueryAtom- Parameters:
atom- The atom to be matched by this QueryAtom- Returns:
- true if Atom matched
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addSymbol
Deprecated.Add a symbol to this QueryAtom- Parameters:
symbol- The symbol to add
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removeSymbol
Deprecated.Remove a symbol from this QueryAtom- Parameters:
symbol- The symbol to remove
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hasSymbol
Deprecated.Check whether a symbol is already registered- Parameters:
symbol- The symbol to check for- Returns:
- true if symbol already registered
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getSymbolSet
Deprecated.Retrieve the Set of symbols- Returns:
- The symbol Set
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toString
Deprecated.The toString method- Specified by:
toStringin interfaceIChemObject- Overrides:
toStringin classObject- Returns:
- The String representation of this object.
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clone
Deprecated.Description copied from interface:IChemObjectReturns a deep clone of this IChemObject.- Specified by:
clonein interfaceIAtom- Specified by:
clonein interfaceIChemObject- Overrides:
clonein classQueryAtom- Returns:
- Object the clone of this IChemObject.
- Throws:
CloneNotSupportedException- if the IChemObject cannot be cloned
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new Expr(Element, 6).and(new Expr(Element, 8))etc