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
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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, symbol
Fields 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
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Constructor Summary
ConstructorsConstructorDescriptionSymbolSetQueryAtom
(IChemObjectBuilder builder) Deprecated.Constructor for the SymbolSetQueryAtom object -
Method Summary
Modifier and TypeMethodDescriptionvoid
Deprecated.Add a symbol to this QueryAtomclone()
Deprecated.Returns a deep clone of this IChemObject.Deprecated.Retrieve the Set of symbolsboolean
Deprecated.Check whether a symbol is already registeredboolean
Deprecated.The matches implementation of the QueryAtom interface.void
removeSymbol
(String symbol) Deprecated.Remove a symbol from this QueryAtomvoid
setOperator
(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, setValency
Methods 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, setProperty
Methods inherited from class java.lang.Object
finalize, getClass, notify, notifyAll, wait, wait, wait
Methods 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, setStereoParity
Methods inherited from interface org.openscience.cdk.interfaces.IAtomType
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject
getBuilder
Methods 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, setProperty
Methods inherited from interface org.openscience.cdk.interfaces.IElement
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
Methods 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:
matches
in interfaceIQueryAtom
- Overrides:
matches
in 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:
toString
in interfaceIChemObject
- Overrides:
toString
in classObject
- Returns:
- The String representation of this object.
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clone
Deprecated.Description copied from interface:IChemObject
Returns a deep clone of this IChemObject.- Specified by:
clone
in interfaceIAtom
- Specified by:
clone
in interfaceIChemObject
- Overrides:
clone
in 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