e82858045d10b2b23d38f24523ebb66d94fdeb77,tests/chem/test_Molecule.py,,test_mol2inchi_defaultargs,#,141

Before Change


    assert m.inchi == caffeine_inchi

def test_mol2inchi_defaultargs(caffeine_inchi):
    m = Molecule()
    m.load(caffeine_inchi, "inchi")
    m.to_inchi()
    m.to_inchi(**m._default_inchi_args)
    // all the args & treatWarningAsError=True
    args = m._default_inchi_args

After Change


    assert m.inchi == caffeine_inchi

def test_mol2inchi_defaultargs(caffeine_inchi):
    m = Molecule(caffeine_inchi, "inchi")
    m.to_inchi()
    m.to_inchi(**m._default_inchi_args)
    // all the args & treatWarningAsError=True
    args = m._default_inchi_args
Italian Trulli
In pattern: SUPERPATTERN

Frequency: 14

Non-data size: 5

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_mol2inchi_defaultargs


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_hydrogens_exception


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_mol2smarts


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_mol2smarts_defaultargs


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_mol2xyz_UFF


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_hydrogens


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_load_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_mol2inchi


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_mol2smiles_defaultargs


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_mol2smiles


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_load_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_mol2xyz_MMFF


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_load_smiles


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_mol2xyz_exception