OEUnaryPredicate

template<class Arg>
class OEUnaryPredicate : public OEUnaryFunction<Arg,bool>

This class represents OEUnaryPredicate.

This abstract base-class defines predicates in OEChem. Predicates are a special class of functors which, by convention, has several restriction. These restrictions make predicates predictable and reliable. To the degree possible, these restrictions are enforced by the API. OEUnaryPredicate.CreateCopy is a virtual constructor which allows copying of concrete derived objects using a reference to this base class.

By definition, a predicates is a functor which always return a boolean. By convention, the OEUnaryPredicate.operator() of a predicate does not modify the object it takes as an argument and itself is not modified by the evaluation. These conventions guarantee that the result of a series of predicate evaluations will not be order dependent.

The following methods are publicly inherited from OEUnaryFunction:

operator()

CreateCopy

The following atom predicate classes classes derive from this class:

• OEAtomIsInAgent

• OEAtomIsInChain

• OEAtomIsInProduct

• OEAtomIsInReactant

• OEAtomIsInResidue

• OEAtomIsInRing

• OEAtomMatchResidue

• OEHasAlphaBetaUnsat

• OEHasAlternateLocation

• OEHasAnisou

• OEHasAtomicNum

• OEHasAtomName

• OEHasAtomStereoSpecified

• OEHasChainID

• OEHasFormalCharge

• OEHasFragmentNumber

• OEHasHvyDegree

• OEHasIdx

• OEHasMapIdx

• OEHasPDBAtomIndex

• OEHasResidueNumber

• OEHasSecondaryStructure

• OEIsAlphaCarbon

• OEIsAromaticAtom

• OEIsAtomHybridization

• OEIsBackboneAtom

• OEIsCAlpha

• OEIsCarbon

• OEIsChiralAtom

• OEIsColorAtomPred

• OEIsHalide

• OEIsHalogen

• OEIsHeavy

• OEIsHetero

• OEIsHydrogen

• OEIsInvertibleNitrogen

• OEIsMetal

• OEIsNitrogen

• OEIsNonRingAtomDoubleBondedToRing

• OEIsNucleicAcidBase

• OEIsNucleicAcidPhosphate

• OEIsNucleicAcidSugar

• OEIsOxygen

• OEIsPhosphorus

• OEIsPolar

• OEIsPolarHydrogen

• OEIsRGroup

• OEIsSulfur

• OEIsValidAtomValence

• OEIsValidMDLAtomValence

• OEIsWater

The following bond predicate classes derive from this class:

• OEBondIsInChain

• OEBondIsInRing

• OEHasBondStereoSpecified

• OEHasOrder

• OEIsAromaticBond

• OEIsChiralBond

• OEIsRotor

The following template predicate classes derive from this class:

• OEIdxSelected

• OEIsMember

• OEIsMemberPtr

• OEIsMember

• OEIsMemberPtr

• OEMatchFunc

• OENthAtom

• OEPartPredT

• IsFalse

• IsTrue

• OEAnd

• OENot

• OEOr

• OEUnaryFalse

The following specializations exist for this template:

OEUnaryBasePred	OESystem::OEUnaryPredicate< OESystem::OEBase >
OEUnaryAtomPred	OESystem::OEUnaryPredicate< OEChem::OEAtomBase >
OEUnaryBondPred	OESystem::OEUnaryPredicate< OEChem::OEBondBase >
OEUnaryConfPred	OESystem::OEUnaryPredicate< OEChem::OEConfBase >
OEUnaryMolBasePred	OESystem::OEUnaryPredicate< OEChem::OEMolBase >
OEUnaryGraphMolPred	OESystem::OEUnaryPredicate< OEChem::OEGraphMol >

operator()

bool operator()(const Arg &a) const =0

CreateCopy

base_type *CreateCopy() const =0

CreatePredicateCopy

OEUnaryPredicate<Arg> *CreatePredicateCopy() const