diff --git a/modules/mol/alg/tests/test_lddt.py b/modules/mol/alg/tests/test_lddt.py index a3e2e5cba788eb35ebd968d078fedbe5bf38a873..0264b55f0a968f84d8bdee9698bb69814379d72e 100644 --- a/modules/mol/alg/tests/test_lddt.py +++ b/modules/mol/alg/tests/test_lddt.py @@ -4,6 +4,7 @@ from ost import io, mol, settings, conop, seq # check if we can import: fails if numpy or scipy not available try: from ost.mol.alg.qsscoring import * + from ost.mol.alg.lddt import * except ImportError: print("Failed to import qsscoring. Happens when numpy or scipy missing. " \ "Ignoring test_lddt.py tests.") @@ -24,7 +25,7 @@ class TestlDDT(unittest.TestCase): target = _LoadFile("7SGN_C_target.pdb") # do awesome implementation - scorer = mol.alg.lddt.lDDTScorer(target, conop.GetDefaultLib()) + scorer = lDDTScorer(target, conop.GetDefaultLib()) aws_score, aws_per_res_scores = scorer.lDDT(model) # do reference implementation @@ -50,7 +51,7 @@ class TestlDDT(unittest.TestCase): target = _LoadFile("7W1F_B_target.pdb") # do awesome implementation - scorer = mol.alg.lddt.lDDTScorer(target, conop.GetDefaultLib()) + scorer = lDDTScorer(target, conop.GetDefaultLib()) aws_score, aws_per_res_scores = scorer.lDDT(model) # do reference implementation @@ -79,7 +80,7 @@ class TestlDDT(unittest.TestCase): target = ent_full.Select('peptide=true and cname=A,B') # we use functionality from QS-scorer to derive a mapping qs_scorer = QSscorer(model, target) - lddt_scorer = mol.alg.lddt.lDDTScorer(target, conop.GetDefaultLib()) + lddt_scorer = lDDTScorer(target, conop.GetDefaultLib()) score, per_res_scores = lddt_scorer.lDDT(model, chain_mapping=qs_scorer.chain_mapping) @@ -112,7 +113,7 @@ class TestlDDT(unittest.TestCase): # we use functionality from QS-scorer to derive a mapping qs_scorer = QSscorer(model, target) - lddt_scorer = mol.alg.lddt.lDDTScorer(target, conop.GetDefaultLib()) + lddt_scorer = lDDTScorer(target, conop.GetDefaultLib()) # naively running lDDT will fail, as residue-residue mapping happens # with resnums. Since we shifted that stuff above we'll get an error @@ -142,10 +143,10 @@ class TestlDDT(unittest.TestCase): def test_lDDT_seqsep(self): target = _LoadFile("7SGN_C_target.pdb") with self.assertRaises(NotImplementedError): - scorer = mol.alg.lddt.lDDTScorer(target, conop.GetDefaultLib(), + scorer = lDDTScorer(target, conop.GetDefaultLib(), sequence_separation=42) - scorer = mol.alg.lddt.lDDTScorer(target, conop.GetDefaultLib(), - sequence_separation=0) + scorer = lDDTScorer(target, conop.GetDefaultLib(), + sequence_separation=0) if __name__ == "__main__": from ost import testutils