diff --git a/modules/mol/alg/tests/CMakeLists.txt b/modules/mol/alg/tests/CMakeLists.txt index 780c1fef465bea3e99686ed66efcaea752c71e4c..fb23115cf4403e55471fb6a92bc5ce7a8d48f3b2 100644 --- a/modules/mol/alg/tests/CMakeLists.txt +++ b/modules/mol/alg/tests/CMakeLists.txt @@ -16,7 +16,8 @@ set(OST_MOL_ALG_UNIT_TESTS if (COMPOUND_LIB) list(APPEND OST_MOL_ALG_UNIT_TESTS test_qsscoring.py test_nonstandard.py - test_chain_mapping.py) + test_chain_mapping.py + test_ligand_scoring.py) endif() ost_unittest(MODULE mol_alg SOURCES "${OST_MOL_ALG_UNIT_TESTS}" LINK ost_io) diff --git a/modules/mol/alg/tests/test_ligand_scoring.py b/modules/mol/alg/tests/test_ligand_scoring.py index 16112992b029ac9a9e7f19383dbc12fb21de87f5..fa0abd8226977169eac3d7c89dd13037e2df3f86 100644 --- a/modules/mol/alg/tests/test_ligand_scoring.py +++ b/modules/mol/alg/tests/test_ligand_scoring.py @@ -39,9 +39,9 @@ class TestLigandScoring(unittest.TestCase): assert len(sc.model_ligands) == 1 # Ensure the residues are not copied - assert len(sc._target.Select("rname=MG").residues) == 2 - assert len(sc._target.Select("rname=G3D").residues) == 2 - assert len(sc._model.Select("rname=G3D").residues) == 1 + assert len(sc.target.Select("rname=MG").residues) == 2 + assert len(sc.target.Select("rname=G3D").residues) == 2 + assert len(sc.model.Select("rname=G3D").residues) == 1 # Pass residue handles trg_lig = [trg.FindResidue("F", 1), trg.FindResidue("H", 1)] @@ -52,9 +52,9 @@ class TestLigandScoring(unittest.TestCase): assert len(sc.model_ligands) == 1 # Ensure the residues are not copied - assert len(sc._target.Select("rname=ZN").residues) == 1 - assert len(sc._target.Select("rname=G3D").residues) == 2 - assert len(sc._model.Select("rname=G3D").residues) == 1 + assert len(sc.target.Select("rname=ZN").residues) == 1 + assert len(sc.target.Select("rname=G3D").residues) == 2 + assert len(sc.model.Select("rname=G3D").residues) == 1 def test_init_sdf_ligands(self): @@ -99,4 +99,4 @@ if __name__ == "__main__": if testutils.SetDefaultCompoundLib(): testutils.RunTests() else: - print('No compound lib available. Ignoring test_chain_mapping.py tests.') + print('No compound lib available. Ignoring test_ligand_scoring.py tests.')