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Training reaction workflow broken by R_Recombination changes #1764

@mliu49

Description

@mliu49

Bug Description

Multiple steps of the training reaction addition workflow have been broken by the changes to R_Recombination:

  1. Labeling of reactions was broken because get_labeled_reactants_and_products was unable to handle the single template in R_Recombination (already fixed by db6321c in Update IPython notebooks #1735)
  2. Saving of training reactions is broken because we cannot generate initial maps for molecules with multiple identical labels (i.e. two atoms labeled with '*'). The relevant code is located in KineticsFamily.save_training_reactions. Note that generation of initial maps for molecules with duplicate labels is (and has always been) non-functional in general, but there were no use cases previously.

How To Reproduce

Run the kinetics_library_to_training.ipynb for a kinetics library with R_Recombination reactions, e.g. kislovB.

Expected Behavior

We should be able to add R_Recombination training reactions.

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