test: SCHWED-5783 activate tests in make check

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)

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.')