3.1 OEAtomBase

class OEAtomBase : public OESystem::OEBase

The OEAtomBase class is the abstract interface for representing atoms within OEChem. OEAtomBases are created by calling the OEMolBase::NewAtom method on the parent molecule.

Subsections

3.1.1 GetAtomicNum
3.1.2 GetAtoms
3.1.3 GetBond
3.1.4 GetBonds
3.1.5 GetDegree
3.1.6 GetExplicitDegree
3.1.7 GetExplicitHCount
3.1.8 GetExplicitValence
3.1.9 GetFormalCharge
3.1.10 GetHvyDegree
3.1.11 GetHvyValence
3.1.12 GetHyb
3.1.13 GetIdx
3.1.14 GetImplicitHCount
3.1.15 GetIntType
3.1.16 GetIsotope
3.1.17 GetMapIdx
3.1.18 GetName
3.1.19 GetParent
3.1.20 GetPartialCharge
3.1.21 GetRadius
3.1.22 GetRxnRole
3.1.23 GetSymmetryClass
3.1.24 GetTotalHCount
3.1.25 GetType
3.1.26 GetValence
3.1.27 IsAromatic
3.1.28 IsCarbon
3.1.29 IsConnected
3.1.30 IsHalogen
3.1.31 IsHydrogen
3.1.32 IsInRing
3.1.33 IsMetal
3.1.34 IsNitrogen
3.1.35 IsOxygen
3.1.36 IsPhosphorus
3.1.37 IsPolar
3.1.38 IsPolarHydrogen
3.1.39 IsSulfur
3.1.40 SetAromatic
3.1.41 SetAtomicNum
3.1.42 SetFormalCharge
3.1.43 SetHyb
3.1.44 SetImplicitHCount
3.1.45 SetIntType
3.1.46 SetInRing
3.1.47 SetIsotope
3.1.48 SetMapIdx
3.1.49 SetName
3.1.50 SetPartialCharge
3.1.51 SetRadius
3.1.52 SetRxnRole
3.1.53 SetStereo
3.1.54 SetSymmetryClass
3.1.55 SetType

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1