add
add(reaction)
Appends a Reaction to the end of the catalogue, updating the internal name-index and serialized-key index so that the new reaction is immediately accessible by verbatim string or serialized key. Assigns the reaction's catalogue_index to its dense 0..count-1 position (distinct from Reaction.index, the gapped file-side source number). Duplicate checking is not performed here; duplicates over the same temperature range are resolved during network construction by the network's duplicate_policy.
Parameters
- reaction : Reaction
- The
Reactioninstance to append to the catalogue.
Raises
- ValueError
- If reaction is not a
Reactioninstance.