OEChem - Python Theory Manual Version 1.3.1

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7. Properties of Atoms

• 7.1 Stored Properties of Atoms
  • 7.1.1 AtomicNum
  • 7.1.2 FormalCharge
  • 7.1.3 ImplicitHCount
  • 7.1.4 Isotope
  • 7.1.5 PartialCharge
  • 7.1.6 Hyb
  • 7.1.7 IntType
  • 7.1.8 Name
  • 7.1.9 Type
  • 7.1.10 RxnRole
  • 7.1.11 MapIdx
  • 7.1.12 InRing
  • 7.1.13 SymmetryClass
  • 7.1.14 Aromatic
• 7.2 Derived Properties of Atoms
  • 7.2.1 GetDegree
  • 7.2.2 GetExplicitDegree
  • 7.2.3 GetExplicitHCount
  • 7.2.4 GetExplicitValence
  • 7.2.5 GetHvyDegree
  • 7.2.6 GetHvyValence
  • 7.2.7 GetParent
  • 7.2.8 GetTotalHCount
  • 7.2.9 GetValence
  • 7.2.10 GetIdx
  • 7.2.11 IsCarbon
  • 7.2.12 IsConnected
  • 7.2.13 IsHalogen
  • 7.2.14 IsHydrogen
  • 7.2.15 IsMetal
  • 7.2.16 IsNitrogen
  • 7.2.17 IsOxygen
  • 7.2.18 IsPhosphorus
  • 7.2.19 IsPolarHydrogen
  • 7.2.20 IsSulfur

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				OEChem - Python Theory Manual Version 1.3.1

Previous: 6.5 Using OEChem C++ Up: OEChem - Python Theory Next: 7.1 Stored Properties of

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Documentation released on July 30, 2004.