Source code for rxn_network.enumerators.base

"""Basic interface for a reaction Enumerator."""

from __future__ import annotations

import logging
from abc import ABCMeta, abstractmethod
from typing import TYPE_CHECKING

from monty.json import MSONable

if TYPE_CHECKING:
    from collections.abc import Collection

    from rxn_network.core import Composition
    from rxn_network.entries.entry_set import GibbsEntrySet




class Enumerator(MSONable, metaclass=ABCMeta):
    """Base definition for a class that enumerates reactions."""

    def __init__(
        self,
        precursors: Collection[str | Composition] | None,
        targets: Collection[str | Composition] | None,
    ):
        """
        Args:
            precursors: Precursor compositions or formulas.
            targets: Target compositions or formulas.
        """
        self.logger = logging.getLogger(str(self.__class__.__name__))
        self.logger.setLevel("INFO")
        self.precursors = precursors or []
        self.targets = targets or []



    @abstractmethod
    def enumerate(self, entries: GibbsEntrySet):
        """Enumerates the potential reactions from the list of entries."""