Uses of Interface
org.openscience.cdk.isomorphism.matchers.IQueryAtom
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Uses of IQueryAtom in org.openscience.cdk.isomorphism.matchers
Classes in org.openscience.cdk.isomorphism.matchers that implement IQueryAtom Modifier and Type Class Description class
InverseSymbolSetQueryAtom
Deprecated.class
QueryAtom
class
SymbolAndChargeQueryAtom
Deprecated.class
SymbolChargeIDQueryAtom
class
SymbolQueryAtom
Deprecated.class
SymbolSetQueryAtom
Deprecated.Usenew Expr(Element, 6).and(new Expr(Element, 8))
etcConstructors in org.openscience.cdk.isomorphism.matchers with parameters of type IQueryAtom Constructor Description OrderQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.OrderQueryBondOrderOnly(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated. -
Uses of IQueryAtom in org.openscience.cdk.isomorphism.matchers.smarts
Classes in org.openscience.cdk.isomorphism.matchers.smarts that implement IQueryAtom Modifier and Type Class Description class
AliphaticAtom
Deprecated.class
AliphaticSymbolAtom
Deprecated.class
AnyAtom
Deprecated.class
AromaticAtom
Deprecated.class
AromaticSymbolAtom
Deprecated.class
AtomicNumberAtom
Deprecated.class
ChiralityAtom
Deprecated.class
ExplicitConnectionAtom
Deprecated.class
FormalChargeAtom
Deprecated.class
HybridizationNumberAtom
Deprecated.class
HydrogenAtom
Deprecated.class
ImplicitHCountAtom
Deprecated.class
LogicalOperatorAtom
Deprecated.class
MassAtom
Deprecated.class
NonCHHeavyAtom
Deprecated.class
PeriodicGroupNumberAtom
Deprecated.class
ReactionRoleQueryAtom
Deprecated.class
RecursiveSmartsAtom
Deprecated.class
RingIdentifierAtom
Deprecated.class
RingMembershipAtom
Deprecated.class
SmallestRingAtom
Deprecated.class
SMARTSAtom
Deprecated.class
TotalConnectionAtom
Deprecated.class
TotalHCountAtom
Deprecated.class
TotalRingConnectionAtom
Deprecated.class
TotalValencyAtom
Deprecated.Methods in org.openscience.cdk.isomorphism.matchers.smarts that return IQueryAtom Modifier and Type Method Description IQueryAtom
RingIdentifierAtom. getAtom()
Deprecated.IQueryAtom
LogicalOperatorAtom. getLeft()
Deprecated.IQueryAtom
LogicalOperatorAtom. getRight()
Deprecated.Methods in org.openscience.cdk.isomorphism.matchers.smarts with parameters of type IQueryAtom Modifier and Type Method Description static SMARTSAtom
LogicalOperatorAtom. and(IQueryAtom left, IQueryAtom right)
Deprecated.Conjunction the provided expressions.static SMARTSAtom
LogicalOperatorAtom. not(IQueryAtom expr)
Deprecated.Negate the provided expression.static SMARTSAtom
LogicalOperatorAtom. or(IQueryAtom left, IQueryAtom right)
Deprecated.Disjunction the provided expressions.void
RingIdentifierAtom. setAtom(IQueryAtom atom)
Deprecated.void
LogicalOperatorAtom. setLeft(IQueryAtom left)
Deprecated.void
LogicalOperatorAtom. setRight(IQueryAtom right)
Deprecated.Constructors in org.openscience.cdk.isomorphism.matchers.smarts with parameters of type IQueryAtom Constructor Description AnyOrderQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.Creates a new instance.AromaticOrSingleQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.Creates a new instanceAromaticQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated.Creates a new instanceSMARTSBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order, IChemObjectBuilder builder)
Deprecated. -
Uses of IQueryAtom in org.openscience.cdk.pharmacophore
Classes in org.openscience.cdk.pharmacophore that implement IQueryAtom Modifier and Type Class Description class
PharmacophoreQueryAtom
Represents a query pharmacophore group. -
Uses of IQueryAtom in org.openscience.cdk.smsd.algorithm.matchers
Constructors in org.openscience.cdk.smsd.algorithm.matchers with parameters of type IQueryAtom Constructor Description DefaultMCSPlusAtomMatcher(IQueryAtom smartQueryAtom, IQueryAtomContainer container)
Deprecated.ConstructorDefaultVFAtomMatcher(IQueryAtom smartQueryAtom, IQueryAtomContainer container)
Deprecated.Constructor
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