Component-tuples (PART_NTUPLE normalization)
- Datafields which have the PART_NTUPLE normalization
are treated as vectors of data which have a correspondence
to the disconnected components of a structure.
The order-correspondence of the vector is maintained on
Like other ntuples, any kind of data can be stored in
component-tuples (string, integer, real, binary, etc.)
- Such vectors are very useful for representing things like
mole-fractions of mixtures and fractional stoichiometry
- Component fingerprint-tuples may be used to enhance the speed
of atom-level searching in large mixtures.
- Here is an example
Daylight Chemical Information Systems, Inc.