Package EState

source code

A module for Kier and Hall's EState Descriptors

Unless otherwise noted, all definitions here can be found in:

  L.B. Kier and L.H. Hall _Molecular Structure Description:
  The Electrotopological State"_  Academic Press (1999)

Imports: GetPrincipleQuantumNumber, EStateIndices, numpy, BuildPatts, Chem, TypeAtoms, esPatterns, AtomTypes, EState, EState_VSA