def test4(): Ch_list = generate_Ch_list(ni=5, nf=20, mi=0, mf=20, chiral_types='achiral') print(Ch_list) chiral_types = [get_chiral_type(Ch) for Ch in Ch_list] print(set(chiral_types)) assert_equal(set(chiral_types), {'armchair', 'zigzag'})
def test5(): Ch_list = generate_Ch_list(ni=5, nf=10, mi=0, mf=5, handedness='right') Ch_list = filter_Ch_list(Ch_list, property_filters=[('n', '<=', 8)]) assert_equal(Ch_list, generate_Ch_list(ni=5, nf=8, mi=0, mf=5, handedness='right'))
def test2(): list1 = generate_Ch_list(ni=5, nf=20, mi=0, mf=20, handedness='right') list2 = generate_Ch_list(ni=5, imax=20, handedness='right') assert_equal(len(list1), 216) assert_equal(list1, list2)
def test1(): Ch_list = generate_Ch_list(ni=5, nf=20, mi=0, mf=20, handedness='right') Ch_list = filter_Ch_list(Ch_list) assert_equal(len(Ch_list), 216)