Reactionobjects are alway instantiated with inputs, conditions and outcomes. Other reaction identifiers can be determined automatically (e.g, reaction SMILES)
Got rid of ReactionIdentifier
Added convenience function for converting reaction SMILES to reaction objects
All dimensional fields are typed using pint; I kept pydantic to be able to have this feature.
Changed the reaction API such that:
Reactionobjects are alway instantiated with inputs, conditions and outcomes. Other reaction identifiers can be determined automatically (e.g, reaction SMILES)ReactionIdentifier