def load_rotamor_library()

in mmcif_utils.py [0:0]

• 50 lines of code
• 2 McCabe index (conditional complexity)

def load_rotamor_library():
    # Loads the rotamor library
    amino_acids = [
        "arg",
        "asp",
        "asn",
        "cys",
        "glu",
        "gln",
        "his",
        "ile",
        "leu",
        "lys",
        "met",
        "phe",
        "pro",
        "ser",
        "thr",
        "trp",
        "tyr",
        "val",
    ]
    db = {}

    columns = collections.OrderedDict()
    columns["T"] = np.str
    columns["Phi"] = np.int64
    columns["Psi"] = np.int64
    columns["Count"] = np.int64
    columns["r1"] = np.int64
    columns["r2"] = np.int64
    columns["r3"] = np.int64
    columns["r4"] = np.int64
    columns["Probabil"] = np.float64
    columns["chi1Val"] = np.float64
    columns["chi2Val"] = np.float64
    columns["chi3Val"] = np.float64
    columns["chi4Val"] = np.float64
    columns["chi1Sig"] = np.float64
    columns["chi2Sig"] = np.float64
    columns["chi3Sig"] = np.float64
    columns["chi4Sig"] = np.float64

    for amino_acid in amino_acids:
        db[amino_acid] = pd.read_csv(
            osp.join(ROTAMER_LIBRARY_PATH, f"ExtendedOpt1-5/{amino_acid}.bbdep.rotamers.lib"),
            names=list(columns.keys()),
            dtype=columns,
            comment="#",
            delim_whitespace=True,
            engine="c",
        )

    return db