tokenization_molformer_fast.py

# coding=utf-8
# Copyright 2023 The HuggingFace Inc. team. All rights reserved.
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# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
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#     http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
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"""Tokenization classes for Molformer."""
from typing import List, Optional, Tuple

from transformers.tokenization_utils_fast import PreTrainedTokenizerFast
from transformers.utils import logging
from .tokenization_molformer import MolformerTokenizer


logger = logging.get_logger(__name__)

VOCAB_FILES_NAMES = {"vocab_file": "vocab.json", "tokenizer_file": "tokenizer.json"}

PRETRAINED_VOCAB_FILES_MAP = {
    "vocab_file": {
        "ibm/MoLFormer-XL-both-10pct": "https://huggingface.co./ibm/MoLFormer-XL-both-10pct/resolve/main/vocab.json",
    }
}

PRETRAINED_POSITIONAL_EMBEDDINGS_SIZES = {
    "ibm/MoLFormer-XL-both-10pct": 202,
}


class MolformerTokenizerFast(PreTrainedTokenizerFast):
    r"""
    Construct a "fast" Molformer tokenizer.

    This tokenizer inherits from [`PreTrainedTokenizerFast`] which contains most of the main methods. Users should
    refer to this superclass for more information regarding those methods.

    Args:
        vocab_file (`str`, *optional*):
            File containing the vocabulary.
        tokenizer_file (`str`, *optional*):
            The path to a tokenizer file to use instead of the vocab file.
        unk_token (`str`, *optional*, defaults to `"<unk>"`):
            The unknown token. A token that is not in the vocabulary cannot be converted to an ID and is set to be this
            token instead.
        sep_token (`str`, *optional*, defaults to `"<eos>"`):
            The separator token, which is used when building a sequence from multiple sequences, e.g. two sequences for
            sequence classification or for a text and a question for question answering. It is also used as the last
            token of a sequence built with special tokens.
        pad_token (`str`, *optional*, defaults to `"<pad>"`):
            The token used for padding, for example when batching sequences of different lengths.
        cls_token (`str`, *optional*, defaults to `"<bos>"`):
            The classifier token which is used when doing sequence classification (classification of the whole sequence
            instead of per-token classification). It is the first token of the sequence when built with special tokens.
        mask_token (`str`, *optional*, defaults to `"<mask>"`):
            The token used for masking values. This is the token used when training this model with masked language
            modeling. This is the token which the model will try to predict.
    """

    vocab_files_names = VOCAB_FILES_NAMES
    pretrained_vocab_files_map = PRETRAINED_VOCAB_FILES_MAP
    max_model_input_sizes = PRETRAINED_POSITIONAL_EMBEDDINGS_SIZES
    model_input_names = ["input_ids", "attention_mask"]
    slow_tokenizer_class = MolformerTokenizer

    def __init__(
        self,
        vocab_file=None,
        tokenizer_file=None,
        unk_token="<unk>",
        sep_token="<eos>",
        pad_token="<pad>",
        cls_token="<bos>",
        mask_token="<mask>",
        **kwargs,
    ):
        super().__init__(
            vocab_file,
            tokenizer_file=tokenizer_file,
            unk_token=unk_token,
            sep_token=sep_token,
            pad_token=pad_token,
            cls_token=cls_token,
            mask_token=mask_token,
            **kwargs,
        )

    # Copied from transformers.models.bert.tokenization_bert_fast.BertTokenizerFast.build_inputs_with_special_tokens
    def build_inputs_with_special_tokens(self, token_ids_0, token_ids_1=None):
        """
        Build model inputs from a sequence or a pair of sequence for sequence classification tasks by concatenating and
        adding special tokens. A BERT sequence has the following format:

        - single sequence: `[CLS] X [SEP]`
        - pair of sequences: `[CLS] A [SEP] B [SEP]`

        Args:
            token_ids_0 (`List[int]`):
                List of IDs to which the special tokens will be added.
            token_ids_1 (`List[int]`, *optional*):
                Optional second list of IDs for sequence pairs.

        Returns:
            `List[int]`: List of [input IDs](../glossary#input-ids) with the appropriate special tokens.
        """
        output = [self.cls_token_id] + token_ids_0 + [self.sep_token_id]

        if token_ids_1 is not None:
            output += token_ids_1 + [self.sep_token_id]

        return output

    # Copied from transformers.models.bert.tokenization_bert_fast.BertTokenizerFast.create_token_type_ids_from_sequences
    def create_token_type_ids_from_sequences(
        self, token_ids_0: List[int], token_ids_1: Optional[List[int]] = None
    ) -> List[int]:
        """
        Create a mask from the two sequences passed to be used in a sequence-pair classification task. A BERT sequence
        pair mask has the following format:

        ```
        0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1
        | first sequence    | second sequence |
        ```

        If `token_ids_1` is `None`, this method only returns the first portion of the mask (0s).

        Args:
            token_ids_0 (`List[int]`):
                List of IDs.
            token_ids_1 (`List[int]`, *optional*):
                Optional second list of IDs for sequence pairs.

        Returns:
            `List[int]`: List of [token type IDs](../glossary#token-type-ids) according to the given sequence(s).
        """
        sep = [self.sep_token_id]
        cls = [self.cls_token_id]
        if token_ids_1 is None:
            return len(cls + token_ids_0 + sep) * [0]
        return len(cls + token_ids_0 + sep) * [0] + len(token_ids_1 + sep) * [1]

    # Copied from transformers.models.bert.tokenization_bert_fast.BertTokenizerFast.save_vocabulary
    def save_vocabulary(self, save_directory: str, filename_prefix: Optional[str] = None) -> Tuple[str]:
        files = self._tokenizer.model.save(save_directory, name=filename_prefix)
        return tuple(files)