Loading deepchem/molnet/tests/test_molnet.py +8 −6 Original line number Diff line number Diff line Loading @@ -28,7 +28,8 @@ class TestMolnet(unittest.TestCase): model = 'graphconvreg' split = 'random' out_path = self.current_dir dc.molnet.run_benchmark(datasets, str(model), split=split, out_path=out_path) dc.molnet.run_benchmark( datasets, str(model), split=split, out_path=out_path) with open(os.path.join(out_path, 'results.csv'), 'r') as f: reader = csv.reader(f) for lastrow in reader: Loading @@ -44,7 +45,8 @@ class TestMolnet(unittest.TestCase): model = 'tf_regression' split = 'random' out_path = self.current_dir dc.molnet.run_benchmark(datasets, str(model), split=split, out_path=out_path) dc.molnet.run_benchmark( datasets, str(model), split=split, out_path=out_path) with open(os.path.join(out_path, 'results.csv'), 'r') as f: reader = csv.reader(f) for lastrow in reader: Loading @@ -60,13 +62,13 @@ class TestMolnet(unittest.TestCase): model = 'tf' split = 'random' out_path = self.current_dir dc.molnet.run_benchmark(datasets, str(model), split=split, out_path=out_path) dc.molnet.run_benchmark( datasets, str(model), split=split, out_path=out_path, test=True) with open(os.path.join(out_path, 'results.csv'), 'r') as f: reader = csv.reader(f) for lastrow in reader: pass assert lastrow[-4] == model assert lastrow[-5] == 'valid' assert float(lastrow[-3]) > 0.75 assert lastrow[-5] == 'test' assert float(lastrow[-3]) > 0.7 os.remove(os.path.join(out_path, 'results.csv')) Loading
deepchem/molnet/tests/test_molnet.py +8 −6 Original line number Diff line number Diff line Loading @@ -28,7 +28,8 @@ class TestMolnet(unittest.TestCase): model = 'graphconvreg' split = 'random' out_path = self.current_dir dc.molnet.run_benchmark(datasets, str(model), split=split, out_path=out_path) dc.molnet.run_benchmark( datasets, str(model), split=split, out_path=out_path) with open(os.path.join(out_path, 'results.csv'), 'r') as f: reader = csv.reader(f) for lastrow in reader: Loading @@ -44,7 +45,8 @@ class TestMolnet(unittest.TestCase): model = 'tf_regression' split = 'random' out_path = self.current_dir dc.molnet.run_benchmark(datasets, str(model), split=split, out_path=out_path) dc.molnet.run_benchmark( datasets, str(model), split=split, out_path=out_path) with open(os.path.join(out_path, 'results.csv'), 'r') as f: reader = csv.reader(f) for lastrow in reader: Loading @@ -60,13 +62,13 @@ class TestMolnet(unittest.TestCase): model = 'tf' split = 'random' out_path = self.current_dir dc.molnet.run_benchmark(datasets, str(model), split=split, out_path=out_path) dc.molnet.run_benchmark( datasets, str(model), split=split, out_path=out_path, test=True) with open(os.path.join(out_path, 'results.csv'), 'r') as f: reader = csv.reader(f) for lastrow in reader: pass assert lastrow[-4] == model assert lastrow[-5] == 'valid' assert float(lastrow[-3]) > 0.75 assert lastrow[-5] == 'test' assert float(lastrow[-3]) > 0.7 os.remove(os.path.join(out_path, 'results.csv'))
