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#
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