@Deprecated public class LogicalOperatorAtom extends SMARTSAtom
and(org.openscience.cdk.isomorphism.matchers.IQueryAtom, org.openscience.cdk.isomorphism.matchers.IQueryAtom)
, not(org.openscience.cdk.isomorphism.matchers.IQueryAtom)
and or(org.openscience.cdk.isomorphism.matchers.IQueryAtom, org.openscience.cdk.isomorphism.matchers.IQueryAtom)
.IAtomType.Hybridization
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 |
---|
LogicalOperatorAtom(IChemObjectBuilder builder)
Deprecated.
|
Modifier and Type | Method and Description |
---|---|
static SMARTSAtom |
and(IQueryAtom left,
IQueryAtom right)
Deprecated.
Conjunction the provided expressions.
|
boolean |
getFlag(int flagType)
Deprecated.
|
IQueryAtom |
getLeft()
Deprecated.
|
String |
getOperator()
Deprecated.
|
IQueryAtom |
getRight()
Deprecated.
|
boolean |
matches(IAtom atom)
Deprecated.
Returns true of the given
atom matches this IQueryAtom. |
static SMARTSAtom |
not(IQueryAtom expr)
Deprecated.
Negate the provided expression.
|
static SMARTSAtom |
or(IQueryAtom left,
IQueryAtom right)
Deprecated.
Disjunction the provided expressions.
|
void |
setLeft(IQueryAtom left)
Deprecated.
|
void |
setOperator(String name)
Deprecated.
use static utility methods to create logical atom matcher,
and(org.openscience.cdk.isomorphism.matchers.IQueryAtom, org.openscience.cdk.isomorphism.matchers.IQueryAtom) , or(org.openscience.cdk.isomorphism.matchers.IQueryAtom, org.openscience.cdk.isomorphism.matchers.IQueryAtom) or not(org.openscience.cdk.isomorphism.matchers.IQueryAtom) . |
void |
setRight(IQueryAtom right)
Deprecated.
|
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, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
finalize, getClass, notify, notifyAll, toString, 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, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString
getBuilder
public LogicalOperatorAtom(IChemObjectBuilder builder)
@Deprecated public IQueryAtom getLeft()
@Deprecated public String getOperator()
@Deprecated public IQueryAtom getRight()
@Deprecated public void setLeft(IQueryAtom left)
@Deprecated public void setOperator(String name)
and(org.openscience.cdk.isomorphism.matchers.IQueryAtom, org.openscience.cdk.isomorphism.matchers.IQueryAtom)
, or(org.openscience.cdk.isomorphism.matchers.IQueryAtom, org.openscience.cdk.isomorphism.matchers.IQueryAtom)
or not(org.openscience.cdk.isomorphism.matchers.IQueryAtom)
.@Deprecated public void setRight(IQueryAtom right)
public boolean matches(IAtom atom)
QueryAtom
atom
matches this IQueryAtom.matches
in interface IQueryAtom
matches
in class SMARTSAtom
atom
- IAtom to match against@Deprecated public boolean getFlag(int flagType)
QueryChemObject
CDKConstants.ISAROMATIC
).
if(chemObject.getFlag(CDKConstants.ISAROMATIC)){
// handle aromatic flag on this chem object
}
getFlag
in interface IChemObject
getFlag
in class QueryChemObject
flagType
- flag to retrieve the value offlag_type
is setIChemObject.setFlag(int, boolean)
,
CDKConstants
public static SMARTSAtom and(IQueryAtom left, IQueryAtom right)
left
- expressionright
- expressionpublic static SMARTSAtom or(IQueryAtom left, IQueryAtom right)
left
- expressionright
- expressionpublic static SMARTSAtom not(IQueryAtom expr)
expr
- expression to negateCopyright © 2021. All rights reserved.