e82858045d10b2b23d38f24523ebb66d94fdeb77,tests/chem/test_Molecule.py,,test_exception_smarts,#,45
Before Change
m.load("c1cc1", "smiles")
def test_exception_smarts():
m = Molecule()
// syntax error: SMARTS Parse Error
with pytest.raises(ValueError):
m.load("fake", "smarts")
// syntax error: SMARTS Parse Error
with pytest.raises(ValueError):
m.load("[/ǜ](=[/ǜ]", "smarts")
def test_exception_inchi():
m = Molecule()
// syntax error: SMARTS Parse Error
After Change
m = Molecule("fake", "smarts")
// syntax error: SMARTS Parse Error
with pytest.raises(ValueError):
m = Molecule("[/ǜ](=[/ǜ]", "smarts")
def test_exception_inchi():
// syntax error: SMARTS Parse Error
with pytest.raises(ValueError):
In pattern: SUPERPATTERN
Frequency: 3
Non-data size: 6
Instances
Project Name: hachmannlab/chemml
Commit Name: e82858045d10b2b23d38f24523ebb66d94fdeb77
Time: 2019-03-05
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_Molecule.py
Class Name:
Method Name: test_exception_smarts
Project Name: hachmannlab/chemml
Commit Name: e82858045d10b2b23d38f24523ebb66d94fdeb77
Time: 2019-03-05
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_Molecule.py
Class Name:
Method Name: test_exception_smarts
Project Name: hachmannlab/chemml
Commit Name: e82858045d10b2b23d38f24523ebb66d94fdeb77
Time: 2019-03-05
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_Molecule.py
Class Name:
Method Name: test_exception_inchi
Project Name: hachmannlab/chemml
Commit Name: e82858045d10b2b23d38f24523ebb66d94fdeb77
Time: 2019-03-05
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_Molecule.py
Class Name:
Method Name: test_exception_smiles