From f408f8567463746811f67c7cb06e63fc7ea64645 Mon Sep 17 00:00:00 2001 From: diegonti Date: Tue, 26 Nov 2024 11:36:19 +0100 Subject: [PATCH] update tests --- mxgap/test/test_.py | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/mxgap/test/test_.py b/mxgap/test/test_.py index ef5eca6..64324f0 100644 --- a/mxgap/test/test_.py +++ b/mxgap/test/test_.py @@ -29,14 +29,14 @@ def get_test_info(case): examples_user_input = [ -['test/examples/La2C1Cl2', 'RFC_notDOS', None, None,('test/examples/La2C1Cl2/CONTCAR', 'test/examples/La2C1Cl2/DOSCAR', 'RFC_notDOS')], -[None, 'SVC+RFR_edges', ["test/examples/La2C1N2H2/CONTCAR","test/examples/La2C1N2H2/DOSCAR"], None,('test/examples/La2C1N2H2/CONTCAR', 'test/examples/La2C1N2H2/DOSCAR', 'SVC+RFR_edges')], -['test/examples/La2C1Te2/', None, ["test/examples/La2C1Te2/CONTCAR","test/examples/La2C1Te2/DOSCAR"], None, ('test/examples/La2C1Te2/CONTCAR', 'test/examples/La2C1Te2/DOSCAR', 'GBC+RFR_onlygap')], -['test/examples/La3C2O2H2', 'best', None, None, ('test/examples/La3C2O2H2/CONTCAR', 'test/examples/La3C2O2H2/DOSCAR', 'GBC+RFR_onlygap')], -['test/examples/La3C2S2', 'model_not_exists', None, AssertionError, ('test/examples/La3C2S2/CONTCAR', 'test/examples/La3C2S2/DOSCAR', 'MLPR_edges')], -[None, 'RFR', ["test/examples/La2C1N2H2/CONTCAR","test/examples/La2C1N2H2/DOSCAR", "extra"], ValueError, ('test/examples/La3N2H2/CONTCAR', 'test/examples/La3N2H2/DOSCAR', 'RFR')], -[None, 'SVC+SVR', ["test/examples/La2C1N2H2/CONTCAR"], ValueError, ('test/examples/La4C3Cl2/CONTCAR', 'test/examples/La4C3Cl2/DOSCAR', 'SVR_notDOS')], -[None, None, None, None, ('./CONTCAR', './DOSCAR', 'GBC+RFR_onlygap')] +['test/examples/La2C1Cl2', 'RFC_notDOS', None, None,('test/examples/La2C1Cl2/CONTCAR', 'test/examples/La2C1Cl2/DOSCAR', 'RFC_notDOS','mxgap.info')], +[None, 'SVC+RFR_edges', ["test/examples/La2C1N2H2/CONTCAR","test/examples/La2C1N2H2/DOSCAR"], None,('test/examples/La2C1N2H2/CONTCAR', 'test/examples/La2C1N2H2/DOSCAR', 'SVC+RFR_edges','mxgap.info')], +['test/examples/La2C1Te2/', None, ["test/examples/La2C1Te2/CONTCAR","test/examples/La2C1Te2/DOSCAR"], None, ('test/examples/La2C1Te2/CONTCAR', 'test/examples/La2C1Te2/DOSCAR', 'GBC+RFR_onlygap','mxgap.info')], +['test/examples/La3C2O2H2', 'best', None, None, ('test/examples/La3C2O2H2/CONTCAR', 'test/examples/La3C2O2H2/DOSCAR', 'GBC+RFR_onlygap','mxgap.info')], +['test/examples/La3C2S2', 'model_not_exists', None, AssertionError, ('test/examples/La3C2S2/CONTCAR', 'test/examples/La3C2S2/DOSCAR', 'MLPR_edges','mxgap.info')], +[None, 'RFR', ["test/examples/La2C1N2H2/CONTCAR","test/examples/La2C1N2H2/DOSCAR", "extra"], ValueError, ('test/examples/La3N2H2/CONTCAR', 'test/examples/La3N2H2/DOSCAR', 'RFR','mxgap.info')], +[None, 'SVC+SVR', ["test/examples/La2C1N2H2/CONTCAR"], ValueError, ('test/examples/La4C3Cl2/CONTCAR', 'test/examples/La4C3Cl2/DOSCAR', 'SVR_notDOS','mxgap.info')], +[None, None, None, None, ('./CONTCAR', './DOSCAR', 'GBC+RFR_onlygap','mxgap.info')] ] ######################################################################## @@ -115,9 +115,9 @@ class TestInput: def test_validate_user_input(self,path,model,files,expected_exception,expected_result): if expected_exception is not None: with pytest.raises(expected_exception): - validate_user_input(path,model,files) + validate_user_input(path,model,files,output=None) else: - result = validate_user_input(path,model,files) + result = validate_user_input(path,model,files,output=None) assert result == expected_result