Class ReactionRoleQueryAtom
- java.lang.Object
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- org.openscience.cdk.isomorphism.matchers.QueryChemObject
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- org.openscience.cdk.isomorphism.matchers.QueryAtom
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- org.openscience.cdk.isomorphism.matchers.smarts.SMARTSAtom
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- org.openscience.cdk.isomorphism.matchers.smarts.ReactionRoleQueryAtom
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- All Implemented Interfaces:
Cloneable
,IAtom
,IAtomType
,ICDKObject
,IChemObject
,IElement
,IIsotope
,IQueryAtom
@Deprecated public class ReactionRoleQueryAtom extends SMARTSAtom
Deprecated.Matches atoms with a particular role in a reaction.
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Nested Class Summary
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Nested classes/interfaces inherited from interface org.openscience.cdk.interfaces.IAtomType
IAtomType.Hybridization
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Field Summary
Fields Modifier and Type Field Description static int
ROLE_AGENT
Deprecated.static int
ROLE_ANY
Deprecated.static int
ROLE_PRODUCT
Deprecated.static int
ROLE_REACTANT
Deprecated.static ReactionRoleQueryAtom
RoleAgent
Deprecated.static ReactionRoleQueryAtom
RoleProduct
Deprecated.static ReactionRoleQueryAtom
RoleReactant
Deprecated.-
Fields inherited from class org.openscience.cdk.isomorphism.matchers.QueryAtom
atomicNumber, charge, electronValency, exactMass, formalCharge, formalNeighbourCount, fractionalPoint3d, hybridization, hydrogenCount, naturalAbundance, point2d, point3d, stereoParity, symbol
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Fields inherited from interface org.openscience.cdk.interfaces.IChemObject
ALIPHATIC, AROMATIC, CONJUGATED, HYDROGEN_BOND_ACCEPTOR, HYDROGEN_BOND_DONOR, IN_RING, MAPPED, NOT_IN_RING, PLACED, REACTIVE_CENTER, SINGLE_OR_DOUBLE, TYPEABLE, VISITED
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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
Constructors Constructor Description ReactionRoleQueryAtom(IChemObjectBuilder builder, int role)
Deprecated.
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Method Summary
All Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description boolean
matches(IAtom atom)
Deprecated.Returns true of the givenatom
matches this IQueryAtom.String
toString()
Deprecated.Returns a one line description of this IChemObject.-
Methods inherited from class org.openscience.cdk.isomorphism.matchers.smarts.SMARTSAtom
chiralityMatches
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Methods inherited from class org.openscience.cdk.isomorphism.matchers.QueryAtom
bonds, clone, 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
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Methods inherited from class org.openscience.cdk.isomorphism.matchers.QueryChemObject
addListener, addProperties, clear, flags, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty
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Methods inherited from class java.lang.Object
finalize, getClass, notify, notifyAll, wait, wait, wait
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Methods inherited from interface org.openscience.cdk.interfaces.IAtom
bonds, clone, getBond, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getMapIdx, getPoint2d, getPoint3d, getStereoParity, getTotalHydrogenCount, isAromatic, isInRing, neighbors, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMapIdx, setPoint2d, setPoint3d, setStereoParity
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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
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Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject
getBuilder
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Methods inherited from interface org.openscience.cdk.interfaces.IChemObject
addListener, addProperties, clear, flags, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty
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Methods inherited from interface org.openscience.cdk.interfaces.IElement
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
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Methods inherited from interface org.openscience.cdk.interfaces.IIsotope
getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance
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Field Detail
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ROLE_REACTANT
public static final int ROLE_REACTANT
Deprecated.- See Also:
- Constant Field Values
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ROLE_AGENT
public static final int ROLE_AGENT
Deprecated.- See Also:
- Constant Field Values
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ROLE_PRODUCT
public static final int ROLE_PRODUCT
Deprecated.- See Also:
- Constant Field Values
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ROLE_ANY
public static final int ROLE_ANY
Deprecated.- See Also:
- Constant Field Values
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RoleReactant
public static final ReactionRoleQueryAtom RoleReactant
Deprecated.
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RoleAgent
public static final ReactionRoleQueryAtom RoleAgent
Deprecated.
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RoleProduct
public static final ReactionRoleQueryAtom RoleProduct
Deprecated.
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Constructor Detail
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ReactionRoleQueryAtom
public ReactionRoleQueryAtom(IChemObjectBuilder builder, int role)
Deprecated.
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Method Detail
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matches
public boolean matches(IAtom atom)
Deprecated.Description copied from class:QueryAtom
Returns true of the givenatom
matches this IQueryAtom.- Specified by:
matches
in interfaceIQueryAtom
- Overrides:
matches
in classSMARTSAtom
- Parameters:
atom
- IAtom to match against- Returns:
- true, if this IQueryAtom matches the given IAtom
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toString
public String toString()
Deprecated.Description copied from interface:IChemObject
Returns a one line description of this IChemObject.- Specified by:
toString
in interfaceIChemObject
- Overrides:
toString
in classObject
- Returns:
- a String representation of this object
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