@Deprecated public class ReactionRoleQueryAtom extends SMARTSAtom
IAtomType.Hybridization
Modifier and Type | Field and 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.
|
atomicNumber, charge, electronValency, exactMass, formalCharge, formalNeighbourCount, fractionalPoint3d, hybridization, hydrogenCount, naturalAbundance, point2d, point3d, stereoParity, symbol
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 and Description |
---|
ReactionRoleQueryAtom(IChemObjectBuilder builder,
int role)
Deprecated.
|
Modifier and Type | Method and Description |
---|---|
boolean |
matches(IAtom atom)
Deprecated.
Returns true of the given
atom matches this IQueryAtom. |
String |
toString()
Deprecated.
Returns a one line description of this IChemObject.
|
chiralityMatches
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
addListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
finalize, getClass, notify, notifyAll, wait, wait, wait
bonds, clone, getBond, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getMapIdx, getPoint2d, getPoint3d, getStereoParity, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMapIdx, 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
getBuilder
public static final int ROLE_REACTANT
public static final int ROLE_AGENT
public static final int ROLE_PRODUCT
public static final int ROLE_ANY
public static final ReactionRoleQueryAtom RoleReactant
public static final ReactionRoleQueryAtom RoleAgent
public static final ReactionRoleQueryAtom RoleProduct
public ReactionRoleQueryAtom(IChemObjectBuilder builder, int role)
public boolean matches(IAtom atom)
QueryAtom
atom
matches this IQueryAtom.matches
in interface IQueryAtom
matches
in class SMARTSAtom
atom
- IAtom to match againstpublic String toString()
IChemObject
toString
in interface IChemObject
toString
in class Object
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