Source code for boltz_data.cif._read

from pathlib import Path

import gemmi
from smart_open import open as smart_open  # type: ignore[import-untyped]




def read_single_cif_from_file(path: str | Path, /) -> gemmi.cif.Block:
    """
    Read a CIF file containing a single data block.

    Supports local files, URLs, and cloud storage paths via smart_open.

    Args:
        path: Path or URL to the CIF file.

    Returns:
        The single CIF block from the file.

    Raises:
        ValueError: If the file contains multiple blocks.

    """
    with smart_open(str(path), "r") as f:
        document = gemmi.cif.read_string(f.read())
    return document.sole_block()





def read_cif_from_file(path: str | Path, /) -> gemmi.cif.Document:
    """
    Read a CIF file containing multiple data blocks.

    Supports local files, URLs, and cloud storage paths via smart_open.

    Args:
        path: Path or URL to the CIF file.

    Returns:
        A CIF document containing all blocks from the file.

    """
    with smart_open(str(path), "r") as f:
        return gemmi.cif.read_string(f.read())