Loading deepchem/molnet/load_function/material_datasets/tests/test_load_mp_formation_energy.py +4 −4 Original line number Diff line number Diff line Loading @@ -25,10 +25,10 @@ def test_mp_formation_energy_loader(): }) assert tasks[0] == 'formation_energy' assert datasets[0].X.shape == (3, 1, 2) assert datasets[1].X.shape == (1, 1, 2) assert datasets[2].X.shape == (1, 1, 2) assert np.allclose(datasets[0].X[0][0], [-0.80130437, -0.51393296], atol=0.01) assert datasets[0].X.shape == (3, 2) assert datasets[1].X.shape == (1, 2) assert datasets[2].X.shape == (1, 2) assert np.allclose(datasets[0].X[0], [-0.80130437, -0.51393296], atol=0.01) if os.path.exists(os.path.join(current_dir, 'mp_formation_energy.json')): os.remove(os.path.join(current_dir, 'mp_formation_energy.json')) deepchem/molnet/load_function/material_datasets/tests/test_load_mp_metallicity.py +4 −4 Original line number Diff line number Diff line Loading @@ -25,11 +25,11 @@ def test_mp_metallicity_loader(): }) assert tasks[0] == 'is_metal' assert datasets[0].X.shape == (3, 1, 8) assert datasets[1].X.shape == (1, 1, 8) assert datasets[2].X.shape == (1, 1, 8) assert datasets[0].X.shape == (3, 8) assert datasets[1].X.shape == (1, 8) assert datasets[2].X.shape == (1, 8) assert np.allclose( datasets[0].X[0][0], [ datasets[0].X[0], [ 0.80428488, -0.70720997, 1.29101261, 0.61631094, 0.84184489, -0.28273997, -1.10252907, -1.23500371 ], Loading Loading
deepchem/molnet/load_function/material_datasets/tests/test_load_mp_formation_energy.py +4 −4 Original line number Diff line number Diff line Loading @@ -25,10 +25,10 @@ def test_mp_formation_energy_loader(): }) assert tasks[0] == 'formation_energy' assert datasets[0].X.shape == (3, 1, 2) assert datasets[1].X.shape == (1, 1, 2) assert datasets[2].X.shape == (1, 1, 2) assert np.allclose(datasets[0].X[0][0], [-0.80130437, -0.51393296], atol=0.01) assert datasets[0].X.shape == (3, 2) assert datasets[1].X.shape == (1, 2) assert datasets[2].X.shape == (1, 2) assert np.allclose(datasets[0].X[0], [-0.80130437, -0.51393296], atol=0.01) if os.path.exists(os.path.join(current_dir, 'mp_formation_energy.json')): os.remove(os.path.join(current_dir, 'mp_formation_energy.json'))
deepchem/molnet/load_function/material_datasets/tests/test_load_mp_metallicity.py +4 −4 Original line number Diff line number Diff line Loading @@ -25,11 +25,11 @@ def test_mp_metallicity_loader(): }) assert tasks[0] == 'is_metal' assert datasets[0].X.shape == (3, 1, 8) assert datasets[1].X.shape == (1, 1, 8) assert datasets[2].X.shape == (1, 1, 8) assert datasets[0].X.shape == (3, 8) assert datasets[1].X.shape == (1, 8) assert datasets[2].X.shape == (1, 8) assert np.allclose( datasets[0].X[0][0], [ datasets[0].X[0], [ 0.80428488, -0.70720997, 1.29101261, 0.61631094, 0.84184489, -0.28273997, -1.10252907, -1.23500371 ], Loading
