""" symmetry functions
"""

import automol.symm


C2H2CLF_GEO = (('F', (2.994881276150, -1.414434615111, -0.807144415388)),
               ('C', (1.170155936996, 0.359360756989, -0.513323178859)),
               ('C', (-1.201356763194, -0.347546894407, -0.3408392500119)),
               ('Cl', (-3.027970874978, 1.39211904938, -0.0492290974807)),
               ('H', (1.731596406235, 2.324260256203, -0.4292070203467)),
               ('H', (-1.66730598121, -2.31375855306, -0.433949091252)))
METHANE_GEO = (('C', (1.2069668249, 1.9997649792, -0.0000004209)),
               ('H', (3.3034303116, 1.9997688296, -0.0000006619)),
               ('H', (0.5081497935, 0.1480118251, 0.6912478445)),
               ('H', (0.5081445849, 2.3270011544, -1.9492882688)),
               ('H', (0.5081426638, 3.5242779889, 1.2580393046)))
C2H5OF_GEO = (('C', (-4.67963119210, -2.785693400767, -0.04102938592633)),
              ('C', (-1.806009533535, -2.594940600449, -0.1025157659970)),
              ('H', (-5.39544527869, -3.740953123044, -1.774996188159)),
              ('H', (-5.501156952723, -0.854962636480, -0.01317371318990)),
              ('O', (-5.48010155525, -4.07121874876, 2.132641999777597)),
              ('H', (-1.208455201406, -1.52313066520, -1.804561025201)),
              ('F', (-0.745999108314, -4.9827454242, -0.1878162481225)),
              ('H', (-1.11738479998, -1.591763680324, 1.607521773704)),
              ('H', (-5.30771129777, -5.90407965309, 1.771303996279)))
TS_GEO = (('H', (4.2225665711697, 0.5285809637301855, -0.000115273293652927)),
          ('H', (5.671967612134, 1.5263110045449078, -0.000107714389151096)),
          ('C', (2.0564925663033, -0.8418843272482152, 1.88972612545783e-05)),
          ('C', (-0.10486279242778, 1.0206637570732786, 2.6456165756409e-05)),
          ('H', (2.2406936203823, -1.9817198829712406, -1.7116099895028005)),
          ('H', (2.2408051142237, -1.981638624747846, 1.7116912477261954)),
          ('C', (-2.687481568224, -0.29460263378049906, -2.0786987380036e-05)),
          ('H', (0.0414001199565, 2.250420040750089, -1.661449099228648)),
          ('H', (0.041366104886271, 2.250372797596953, 1.6615398060826698)),
          ('H', (-2.90949793179, -1.4943387282282867, -1.6725720272030926)),
          ('H', (-2.909531946870, -1.4944029789165523, 1.6724813203490707)),
          ('H', (-4.22464715963, 1.091354631974405, -9.448630627289141e-06)))
H_GEO = (('H', (-0.9827048283, 0.061897979239, 2.02901783816)),)


def test__external_symmetry_factor():
    """ test geom.external_symmety_factor
    """

    assert automol.symm.external_symm(METHANE_GEO) == 12
    assert automol.symm.external_symm(H_GEO) == 1
    assert automol.symm.external_symm(C2H5OF_GEO) == 0.5
    assert automol.symm.external_symm(C2H2CLF_GEO) == 1


def test__hco_symm_num():
    """ test
    """
    print(automol.symm.oxygenated_hydrocarbon_symm_num(TS_GEO))
