#!/usr/bin/env python3
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# NOT LIMITED TO, WARRANTIES OF MERCHANTABILITY, FITNESS FOR A
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"""Code snippet for creating a molecule database index file."""

import os
import sys
from pathlib import Path

import rich.console
from openeye import oechem


def main() -> int:
    """Create a molecule database index file."""
    if len(sys.argv) != 2:  # noqa: PLR2004
        oechem.OEThrow.Usage(f"Usage: {sys.argv[0]} <mol-file>")
        return os.EX_USAGE

    input_filename = Path(sys.argv[1])
    create_mol_database_index_file(input_filename)
    return os.EX_OK


def create_mol_database_index_file(input_filename: Path) -> None:
    """Create a molecule database index file for the given molecule file."""
    console = rich.console.Console()

    idx_filename = Path(oechem.OEGetMolDatabaseIdxFileName(str(input_filename)))

    if idx_filename.exists():
        oechem.OEThrow.Warning(f"{idx_filename} index file already exists")
    elif not oechem.OECreateMolDatabaseIdx(str(input_filename)):
        oechem.OEThrow.Warning(f"Unable to create {idx_filename} molecule index file")
    console.print(f"Index file created: {idx_filename.name}")


if __name__ == "__main__":
    sys.exit(main())