diff --git a/modules/mol/alg/tests/test_ligand_scoring.py b/modules/mol/alg/tests/test_ligand_scoring.py index d29f4e616389ba46d920fea16e08b78b90c782c3..78f4b1275039d697e729d3a6be95cbbd7196f688 100644 --- a/modules/mol/alg/tests/test_ligand_scoring.py +++ b/modules/mol/alg/tests/test_ligand_scoring.py @@ -316,18 +316,18 @@ class TestLigandScoring(unittest.TestCase): # lddt_pli_details self.assertAlmostEqual(sc.lddt_pli_details["J.G3D1"]["rmsd"], 4.1008, 4) self.assertEqual(sc.lddt_pli_details["J.G3D1"]["lddt_pli_n_contacts"], 5224) - self.assertEqual(sc.rmsd_details["J.G3D1"]["chain_mapping"], {'A': 'B', 'H': 'C'}) - self.assertEqual(sc.rmsd_details["J.G3D1"]["bs_num_res"], 16) - self.assertEqual(sc.rmsd_details["J.G3D1"]["bs_num_overlap_res"], 16) - self.assertEqual(sc.rmsd_details["J.G3D1"]["target_ligand"].qualified_name, 'L.G3D1') - self.assertEqual(sc.rmsd_details["J.G3D1"]["model_ligand"].qualified_name, 'J.G3D1') + self.assertEqual(sc.lddt_pli_details["J.G3D1"]["chain_mapping"], {'F': 'B', 'C': 'C'}) + self.assertEqual(sc.lddt_pli_details["J.G3D1"]["bs_num_res"], 15) + self.assertEqual(sc.lddt_pli_details["J.G3D1"]["bs_num_overlap_res"], 15) + self.assertEqual(sc.lddt_pli_details["J.G3D1"]["target_ligand"].qualified_name, 'I.G3D1') + self.assertEqual(sc.lddt_pli_details["J.G3D1"]["model_ligand"].qualified_name, 'J.G3D1') self.assertAlmostEqual(sc.lddt_pli_details["F.G3D1"]["rmsd"], 57.7868, 4) self.assertEqual(sc.lddt_pli_details["F.G3D1"]["lddt_pli_n_contacts"], 5480) - self.assertEqual(sc.rmsd_details["F.G3D1"]["chain_mapping"], {'F': 'B', 'C': 'C'}) - self.assertEqual(sc.rmsd_details["F.G3D1"]["bs_num_res"], 15) - self.assertEqual(sc.rmsd_details["F.G3D1"]["bs_num_overlap_res"], 15) - self.assertEqual(sc.rmsd_details["F.G3D1"]["target_ligand"].qualified_name, 'I.G3D1') - self.assertEqual(sc.rmsd_details["F.G3D1"]["model_ligand"].qualified_name, 'F.G3D1') + self.assertEqual(sc.lddt_pli_details["F.G3D1"]["chain_mapping"], {'E': 'B', 'D': 'C'}) + self.assertEqual(sc.lddt_pli_details["F.G3D1"]["bs_num_res"], 16) + self.assertEqual(sc.lddt_pli_details["F.G3D1"]["bs_num_overlap_res"], 16) + self.assertEqual(sc.lddt_pli_details["F.G3D1"]["target_ligand"].qualified_name, 'J.G3D1') + self.assertEqual(sc.lddt_pli_details["F.G3D1"]["model_ligand"].qualified_name, 'F.G3D1') if __name__ == "__main__":