Version 3.0 Design

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Revision as of 17:22, 18 August 2008 by Tim (Talk | contribs) (New page: = Perception Framework = == Requirements == * Lazy evaluation of various properties ** Aromaticity (Internal, MMFF94, Smiles, Sybyl, ...) ** Atom Types (Internal, MMFF94, UFF, ...) ** R...)

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Perception Framework

Requirements

  • Lazy evaluation of various properties
    • Aromaticity (Internal, MMFF94, Smiles, Sybyl, ...)
    • Atom Types (Internal, MMFF94, UFF, ...)
    • Rings (SSSR, All, ...)
    • Partial Charges
    • Atom hybridizations
    • Implicit valences
  • Each property can have multiple implementations. (Internal, MMFF94, Smiles, ...)
  • Adding new implementations for a given property should not require code changes in multiple places.
    • This requires