cattsunami.core.reaction#

Classes#

Reaction

Initialize Reaction object

Module Contents#

class cattsunami.core.reaction.Reaction(reaction_db_path: str, adsorbate_db_path: str, reaction_id_from_db: int | None = None, reaction_str_from_db: str | None = None, reaction_type: str | None = None)#

Initialize Reaction object

reaction_db_path#
reaction_db#
adsorbate_db#
entry#
get_desorption_mapping(reactant)#

Get mapping for desorption reaction