backend/latmathcher/utils.py

def generate_xyz_text(atoms):
    """
    Generate the text content of an XYZ format from a list of atoms.
    :param atoms: List of atoms with their symbols and coordinates
    :return: XYZ format as a string
    """
    xyz_content = f"{len(atoms)}\n"
    xyz_content += "XYZ file content generated from atoms_to_greed function\n"
    for atom in atoms:
        symbol, coordinates = atom
        xyz_content += f"{symbol} {coordinates[0]:.3f} {coordinates[1]:.3f} {coordinates[2]:.3f}\n"
    return xyz_content