Esempio n. 1
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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'})
Esempio n. 2
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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'))
Esempio n. 3
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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)
Esempio n. 4
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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)