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6aab6b3 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 | from abc import ABC, abstractmethod
from typing import Optional
import numpy as np
from boltzgen.data.data import Tokenized
class Selector(ABC):
"""Abstract base class for cropper."""
@abstractmethod
def select(
self,
data: Tokenized,
random: np.random.Generator,
chain_id: Optional[int] = None,
interface_id: Optional[int] = None,
) -> Tokenized:
"""Select which part of tokenized should be designed
Parameters
----------
data : Tokenized
The tokenized data.
random : np.random.Generator
The random state for reproducibility.
Returns
-------
Tokenized
The data with updated design entry.
"""
raise NotImplementedError
|