Improvements to version 4.61:

Transform properties:

• dt_transform() is a complex function.

  It takes molecules and a transform object, and returns newly-created reactions.

  The newly-created reactions inherit properties from both the molecules and transform.

  • On both sides of each new reaction, the molecules are copies of the given molecules.
  • The differences between reactant and product in the resulting reactions are determined by the transform.

• In 4.51, the deficiency in the object model for dt_transform() is that the resulting reactions can't be related back to their transform.
  And why is this a problem?
  • You can 'rematch' the transform against the resulting reactions, but this is inefficient and won't be 100% correct (eg. symmetric cases).

  • Alternately, we could return pathsets from the dt_transform() function (eg. make dt_transform() behave more like a pattern).

• Currently, the atoms inherit a new property from the transform, which is the original order of transform atoms. This is a compromise between efficiency and correctness.