diff --git a/modules/mol/alg/tests/test_qsscoring.py b/modules/mol/alg/tests/test_qsscoring.py index 0e57f2a3ef2ea0df15a1e8560d4b5c97f658cdfa..e8f18b36946ecfc628d234c298611224fd9eca25 100644 --- a/modules/mol/alg/tests/test_qsscoring.py +++ b/modules/mol/alg/tests/test_qsscoring.py @@ -547,12 +547,18 @@ class TestQSscore(unittest.TestCase): self.assertEqual(len(qs_scorer.symm_1[0]), 2) self.assertEqual(len(qs_scorer.symm_2), 12) self.assertEqual(len(qs_scorer.symm_2[0]), 2) - self.assertEqual(qs_scorer.chain_mapping, - {'A': 'J', 'C': 'L', 'B': 'K', 'E': 'P', 'D': 'R', - 'G': 'O', 'F': 'Q', 'I': 'T', 'H': 'X', 'K': 'S', - 'J': 'U', 'M': 'G', 'L': 'I', 'O': 'N', 'N': 'H', - 'Q': 'E', 'P': 'V', 'S': 'D', 'R': 'F', 'U': 'B', - 'T': 'A', 'W': 'M', 'V': 'C', 'X': 'W'}) + + # Don't check for exact mapping, as structures are highly symmetric. + # Several mappings are thus valid. Only check whether we found an + # automated mapping with strict (stuff must really match) + # chain_mapping_scheme + self.assertEqual(qs_scorer.chain_mapping_scheme, 'strict') + #self.assertEqual(qs_scorer.chain_mapping, + # {'A': 'J', 'C': 'L', 'B': 'K', 'E': 'P', 'D': 'R', + # 'G': 'O', 'F': 'Q', 'I': 'T', 'H': 'X', 'K': 'S', + # 'J': 'U', 'M': 'G', 'L': 'I', 'O': 'N', 'N': 'H', + # 'Q': 'E', 'P': 'V', 'S': 'D', 'R': 'F', 'U': 'B', + # 'T': 'A', 'W': 'M', 'V': 'C', 'X': 'W'}) ###########################################################################