Example #1
0
def test_guess_impropers():
    u = make_starshape()

    ag = u.atoms[:5]

    u.add_TopologyAttr(Angles(guessers.guess_angles(ag.bonds)))

    vals = guessers.guess_improper_dihedrals(ag.angles)
    assert_equal(len(vals), 12)
Example #2
0
def test_guess_impropers():
    u = make_starshape()

    ag = u.atoms[:5]

    u.add_TopologyAttr(Angles(guessers.guess_angles(ag.bonds)))

    vals = guessers.guess_improper_dihedrals(ag.angles)
    assert_equal(len(vals), 12)