OEChem Classes¶
- OE2DRingDictionary
- OE2DRingDictionaryCreatorOptions
- OEAbsCanonicalConfTest
- OEAbsoluteConfTest
- OEAnisoUij
- OEAtomBase
- operator=
- AddBond
- Clear
- GetAtomicNum
- GetAtoms
- GetAxial
- GetBond
- GetBonds
- GetDegree
- GetExplicitDegree
- GetExplicitHCount
- GetExplicitValence
- GetFormalCharge
- GetHvyDegree
- GetHvyValence
- GetHyb
- GetIdx
- GetImplicitHCount
- GetIntType
- GetIsotope
- GetMapIdx
- GetName
- GetParent
- GetPartialCharge
- GetRadius
- GetRxnRole
- GetStereo
- GetSymmetryClass
- GetTotalHCount
- GetType
- GetValence
- HasAlphaBetaUnsat
- HasStereoSpecified
- IsAromatic
- IsCarbon
- IsChiral
- IsConnected
- IsDataType
- IsDeleted
- IsHalogen
- IsHydrogen
- IsInRing
- IsMetal
- IsNitrogen
- IsOxygen
- IsPhosphorus
- IsPolar
- IsPolarHydrogen
- IsSulfur
- OrderBonds
- RemoveBond
- SetAromatic
- SetAtomicNum
- SetAxial
- SetChiral
- SetFormalCharge
- SetHyb
- SetImplicitHCount
- SetInRing
- SetIntType
- SetIsotope
- SetMapIdx
- SetName
- SetPartialCharge
- SetRadius
- SetRxnRole
- SetStereo
- SetSymmetryClass
- SetType
- Sweep
- OEAtomBondSet
- OEAtomIsInAgent
- OEAtomIsInChain
- OEAtomIsInProduct
- OEAtomIsInReactant
- OEAtomIsInResidue
- OEAtomIsInRing
- OEBondBase
- OEBondIsInChain
- OEBondIsInRing
- OECliqueSearch
- OEConfBase
- OEConfRMSD
- OEConfRMSDOptions
- OEConfTestBase
- OEConstCoords
- OECoordArray
- OECSVHeader
- OEDefaultConfTest
- OEEuler
- OEExprBase
- OEExtractRingTemplateOptions
- OEFuzzy
- OEGetNbrAtom
- OEGraphMol
- OEGroupBase
- OEHasAlphaBetaUnsat
- OEHasAnisou
- OEHasAtomicNum
- OEHasAtomInGroup
- OEHasAtomName
- OEHasAtomStereoSpecified
- OEHasBondInGroup
- OEHasBondStereoSpecified
- OEHasChainID
- OEHasFormalCharge
- OEHasFragmentNumber
- OEHasGroupType
- OEHasHvyDegree
- OEHasIdx
- OEHasMapIdx
- OEHasOrder
- OEHasResidueNumber
- OEHydrogenCounter
- OEIdxSelected
- OEInChIOptions
- Constructors
- operator=
- GetChiral
- GetFixedHLayer
- GetHydrogens
- GetNonPolymerPseudoAtoms
- GetRacemicStereo
- GetReconnectedMetals
- GetRelativeStereo
- GetStereo
- GetTimeout
- GetUndefinedStereo
- SetChiral
- SetFixedHLayer
- SetHydrogens
- SetNonPolymerPseudoAtoms
- SetRacemicStereo
- SetReconnectedMetals
- SetRelativeStereo
- SetStereo
- SetTimeout
- SetUndefinedStereo
- OEInSamePart
- OEIsAromaticAtom
- OEIsAromaticBond
- OEIsAtomHybridization
- OEIsBridgeHead
- OEIsCAlpha
- OEIsCarbon
- OEIsChiralAtom
- OEIsChiralBond
- OEIsHalide
- OEIsHalogen
- OEIsHeavy
- OEIsHetero
- OEIsHydrogen
- OEIsInvertibleNitrogen
- OEIsMDLStereoGroup
- OEIsMember
- OEIsMemberPtr
- OEIsMetal
- OEIsNitrogen
- OEIsNonRingAtomDoubleBondedToRing
- OEIsomericConfTest
- OEIsOxygen
- OEIsPhosphorus
- OEIsPolar
- OEIsPolarHydrogen
- OEIsProductGroup
- OEIsReactantGroup
- OEIsRGroup
- OEIsRotor
- OEIsRxnComponentGroup
- OEIsSulfur
- OEIsTermHeavyAtom
- OEIsValidAtomValence
- OEIsValidMDLAtomValence
- OELibraryGen
- Constructors
- operator=
- operator()
- operator bool
- AddStartingMaterial
- ClearStartingMaterial
- GetAssignMapIdx
- GetClearCoordinates
- GetExplicitHydrogens
- GetProducts
- GetRemoveUnmappedFragments
- GetStartingMaterial
- GetTitleSeparator
- GetValenceCorrection
- GetValidateKekule
- Init
- NumReactants
- NumPossibleProducts
- SetAssignMapIdx
- SetClearCoordinates
- SetExplicitHydrogens
- SetRemoveUnmappedFragments
- SetStartingMaterial
- SetTitleSeparator
- SetValenceCorrection
- SetValidateKekule
- OELingoSim
- OEMatch
- OEMatchBase
- OEMatchFunc
- OEMatchPair
- OEMCMolBase
- OEMCSFunc
- OEMCSMaxAtoms
- OEMCSMaxAtomsCompleteCycles
- OEMCSMaxBonds
- OEMCSMaxBondsCompleteCycles
- OEMCSSearch
- OEMMFFTypeResult
- OEMol
- OEMolBase
- operator=
- operator bool
- Clear
- ClearBase
- ClearCoords
- Compress
- Count
- CreateCopy
- DeleteAtom
- DeleteBond
- DeleteGroup
- GetAtom
- GetAtoms
- GetBond
- GetBonds
- GetCoords
- GetDimension
- GetEnergy
- GetGroup
- GetGroups
- GetMaxAtomIdx
- GetMaxBondIdx
- GetTitle
- HasPerceived
- IsDataType
- IsDeleted
- IsRxn
- NewAtom
- NewBond
- NewGroup
- NumAtoms
- NumBonds
- NumGroups
- OrderAtoms
- OrderBonds
- ResetPerceived
- SetCoords
- SetDimension
- SetEnergy
- SetPerceived
- SetRxn
- SetTitle
- Sweep
- UnCompress
- OEMolDatabase
- OEMolDatabaseSaveOptions
- OEMolDBException
- OEMolGDPropertyFxn
- oemolistream
- Constructors
- operator bool
- operator OEPlatform::oeistream &
- GetConfTest
- GetOEMols
- GetOEGraphMols
- GetMCMolBases
- GetMolBases
- GetReadFailureCt
- IncrementReadFailureCt
- ResetReadFailureCt
- SetConfTest
- SetFlavor
- SetFormat
- SetTracer
- Setgz
- close
- eof
- getbyte
- getline
- openstring
- peekbyte
- read
- rewind
- seek
- size
- skip
- skipbyte
- skipline
- tell
- oemolithread
- oemolostream
- oemolothread
- OEMolPropertyFxn
- OEMolPropertyList
- OEMolSDPropertyFxn
- oemolstreambase
- OEMolTaggedPropertyFxn
- oemolthreadbase
- OEMutableCoords
- OENbrs
- OENearestNbrs
- OENthAtom
- OEOmegaConfTest
- OEParseSmilesOptions
- OEPartPredT
- OEQAtomBase
- OEQBase
- OEQBondBase
- OEQMol
- OEQMolBase
- OEQuaternion
- OEResidue
- Constructors
- operator=
- operator bool
- GetAlternateLocation
- GetBFactor
- GetChainID
- GetExtChainID
- GetSubChainID
- GetFragmentNumber
- GetInsertCode
- GetModelNumber
- GetName
- GetOccupancy
- GetResidueNumber
- GetEntityID
- GetSequenceID
- GetSecondaryStructure
- GetSerialNumber
- IsHetAtom
- SetAlternateLocation
- SetBFactor
- SetChainID
- SetExtChainID
- SetSubChainID
- SetFragmentNumber
- SetHetAtom
- SetInsertCode
- SetModelNumber
- SetName
- SetOccupancy
- SetResidueNumber
- SetEntityID
- SetSequenceID
- SetSecondaryStructure
- SetSerialNumber
- OERotMatrix
- OESDDataPair
- OESimilarByRMSD
- OESimpleAppOptions
- OESubSearch
- OETokenizerBase
- OETorsion
- OETrans
- OETransBase
- OETranslation
- OEUnaryToBinaryAnd
- OEUnaryToBinaryOr
- OEUniMolecularRxn
- OEUniMolecularRxnOptions
- OEVectorBindings