def test_isomorphism_wrong_mapping():
"""
Checks isomorphism finds things not isomorphic if given a wrong mapping.
"""
# These molecules are not isomorphic
n1butane = Molecule().from_adjacency_list("""
1 *1 X u0 p0 c0 {2,S}
2 *2 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S}
3 *3 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S}
4 *4 H u0 p0 c0 {3,S}
5 H u0 p0 c0 {2,S}
6 H u0 p0 c0 {2,S}
7 H u0 p0 c0 {3,S}
8 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S}
9 H u0 p0 c0 {8,S}
10 H u0 p0 c0 {8,S}
11 C u0 p0 c0 {8,S} {12,S} {13,S} {14,S}
12 H u0 p0 c0 {11,S}
13 H u0 p0 c0 {11,S}
14 H u0 p0 c0 {11,S}
""")
n2butane = Molecule().from_adjacency_list("""
1 *1 X u0 p0 c0 {3,S}
2 *2 C u0 p0 c0 {3,S} {5,S} {6,S} {4,S}
3 *3 C u0 p0 c0 {2,S} {1,S} {7,S} {8,S}
4 *4 H u0 p0 c0 {2,S}
5 H u0 p0 c0 {2,S}
6 H u0 p0 c0 {2,S}
7 H u0 p0 c0 {3,S}
8 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S}
9 H u0 p0 c0 {8,S}
10 H u0 p0 c0 {8,S}
11 C u0 p0 c0 {8,S} {12,S} {13,S} {14,S}
12 H u0 p0 c0 {11,S}
13 H u0 p0 c0 {11,S}
14 H u0 p0 c0 {11,S}
""")
assert_false(n1butane.is_isomorphic(n2butane))
assert_false(n1butane.is_isomorphic(n2butane, generate_initial_map=True))
mapping = {}
for label in ['*1', '*2', '*3', '*4']:
mapping[n1butane.get_labeled_atoms(label)
[0]] = n2butane.get_labeled_atoms(label)[0]
assert_false(n1butane.is_isomorphic(n2butane, initial_map=mapping))
