From e3a209fd4fb252e9e2764eee0c72b3cc979e9b76 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavalias-github@xavier.robin.name>
Date: Mon, 23 Jan 2023 16:51:58 +0100
Subject: [PATCH] test: SCHWED-5783 test the right matrix
---
modules/mol/alg/tests/test_ligand_scoring.py | 20 ++++++++++----------
1 file changed, 10 insertions(+), 10 deletions(-)
diff --git a/modules/mol/alg/tests/test_ligand_scoring.py b/modules/mol/alg/tests/test_ligand_scoring.py
index d29f4e616..78f4b1275 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__":
--
GitLab