cattsunami.core#

Copyright (c) Meta Platforms, Inc. and affiliates.

This source code is licensed under the MIT license found in the LICENSE file in the root directory of this source tree.

Submodules#

Classes#

Reaction

Initialize Reaction object

Package Contents#

class cattsunami.core.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#
get_desorption_mapping(reactant)#

Get mapping for desorption reaction